USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 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= -1.92 K(o=-1.9,f=-3.3!) USER MOD Set 2.1: A 48 CYS SG : rot 69:sc= -3.14! USER MOD Set 2.2: A 55 MET CE :methyl -152:sc= -2.47! (180deg=-2.73!) USER MOD Set 3.1: A 15 ASN : amide:sc= 1.22 K(o=2.4,f=-4.2) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 171:sc= 1.16 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.27 (180deg=1.09) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 1.3 (180deg=1.02) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.092 (180deg=-0.488) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.116 F(o=-1.2!,f=0.12) USER MOD Single : A 17 HIS : no HE2:sc= 0.329 K(o=0.33,f=-1.3) USER MOD Single : A 19 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0747 F(o=-1.1,f=-0.075) USER MOD Single : A 28 SER OG : rot 97:sc= 1.14 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.107 F(o=-1.1,f=-0.11) USER MOD Single : A 37 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.016) USER MOD Single : A 38 THR OG1 : rot -178:sc= -1.71! USER MOD Single : A 41 SER OG : rot 180:sc= -0.988 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 171:sc= -0.73 (180deg=-1.04) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0584) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.351 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.952 F(o=-1.7,f=-0.95) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.911 F(o=-1.8!,f=-0.91) USER MOD Single : A 68 ASN : amide:sc= 1.15 K(o=1.1,f=-0.3) USER MOD Single : A 70 THR OG1 : rot -10:sc= 0.796 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.984 USER MOD Single : A 75 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.11) USER MOD Single : A 78 MET CE :methyl -135:sc= -1.33 (180deg=-2.97) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -3.09! X(o=-3.1!,f=-3.2) USER MOD Single : A 89 GLN : amide:sc= 0.887 K(o=0.89,f=-0.84) USER MOD Single : A 90 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.904 19.857 1.258 1.00 0.00 N ATOM 2 CA MET A 1 13.838 21.327 1.382 1.00 0.00 C ATOM 3 C MET A 1 13.518 21.746 2.820 1.00 0.00 C ATOM 4 O MET A 1 14.281 22.476 3.442 1.00 0.00 O ATOM 5 CB MET A 1 12.825 21.929 0.379 1.00 0.00 C ATOM 6 CG MET A 1 11.407 21.373 0.478 1.00 0.00 C ATOM 7 SD MET A 1 10.303 22.058 -0.772 1.00 0.00 S ATOM 8 CE MET A 1 8.761 21.248 -0.350 1.00 0.00 C ATOM 0 H1 MET A 1 13.901 19.593 0.252 1.00 0.00 H new ATOM 0 H2 MET A 1 14.777 19.510 1.705 1.00 0.00 H new ATOM 0 H3 MET A 1 13.081 19.432 1.730 1.00 0.00 H new ATOM 0 HA MET A 1 14.821 21.727 1.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.787 23.008 0.529 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.195 21.760 -0.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.438 20.288 0.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.005 21.587 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.980 21.572 -1.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.885 20.168 -0.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.479 21.511 0.670 1.00 0.00 H new ATOM 18 N ALA A 2 12.396 21.274 3.361 1.00 0.00 N ATOM 19 CA ALA A 2 12.009 21.597 4.732 1.00 0.00 C ATOM 20 C ALA A 2 12.647 20.623 5.717 1.00 0.00 C ATOM 21 O ALA A 2 12.273 20.556 6.885 1.00 0.00 O ATOM 22 CB ALA A 2 10.493 21.574 4.868 1.00 0.00 C ATOM 0 H ALA A 2 11.740 20.667 2.870 1.00 0.00 H new ATOM 0 HA ALA A 2 12.367 22.600 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.216 21.816 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.056 22.308 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.120 20.581 4.616 1.00 0.00 H new ATOM 28 N ASP A 3 13.619 19.863 5.236 1.00 0.00 N ATOM 29 CA ASP A 3 14.348 18.911 6.064 1.00 0.00 C ATOM 30 C ASP A 3 15.349 19.646 6.945 1.00 0.00 C ATOM 31 O ASP A 3 15.972 19.067 7.837 1.00 0.00 O ATOM 32 CB ASP A 3 15.062 17.879 5.188 1.00 0.00 C ATOM 33 CG ASP A 3 16.003 18.515 4.188 1.00 0.00 C ATOM 34 OD1 ASP A 3 15.519 19.104 3.196 1.00 0.00 O ATOM 35 OD2 ASP A 3 17.230 18.425 4.376 1.00 0.00 O ATOM 0 H ASP A 3 13.925 19.888 4.263 1.00 0.00 H new ATOM 0 HA ASP A 3 13.638 18.386 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.623 17.194 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.320 17.284 4.655 1.00 0.00 H new ATOM 40 N GLU A 4 15.510 20.925 6.680 1.00 0.00 N ATOM 41 CA GLU A 4 16.369 21.776 7.465 1.00 0.00 C ATOM 42 C GLU A 4 15.539 22.871 8.119 1.00 0.00 C ATOM 43 O GLU A 4 14.898 23.676 7.434 1.00 0.00 O ATOM 44 CB GLU A 4 17.469 22.382 6.593 1.00 0.00 C ATOM 45 CG GLU A 4 16.956 23.039 5.326 1.00 0.00 C ATOM 46 CD GLU A 4 18.047 23.703 4.537 1.00 0.00 C ATOM 47 OE1 GLU A 4 18.401 24.862 4.861 1.00 0.00 O ATOM 48 OE2 GLU A 4 18.552 23.082 3.584 1.00 0.00 O ATOM 0 H GLU A 4 15.044 21.403 5.909 1.00 0.00 H new ATOM 0 HA GLU A 4 16.847 21.180 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 4 18.017 23.121 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.178 21.599 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.468 22.289 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.199 23.779 5.586 1.00 0.00 H new ATOM 55 N LYS A 5 15.526 22.888 9.441 1.00 0.00 N ATOM 56 CA LYS A 5 14.734 23.851 10.189 1.00 0.00 C ATOM 57 C LYS A 5 15.103 25.291 9.826 1.00 0.00 C ATOM 58 O LYS A 5 16.270 25.685 9.890 1.00 0.00 O ATOM 59 CB LYS A 5 14.874 23.611 11.692 1.00 0.00 C ATOM 60 CG LYS A 5 13.996 24.517 12.549 1.00 0.00 C ATOM 61 CD LYS A 5 13.911 24.022 13.983 1.00 0.00 C ATOM 62 CE LYS A 5 13.211 22.672 14.059 1.00 0.00 C ATOM 63 NZ LYS A 5 13.049 22.209 15.456 1.00 0.00 N ATOM 0 H LYS A 5 16.059 22.241 10.022 1.00 0.00 H new ATOM 0 HA LYS A 5 13.689 23.706 9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.626 22.572 11.908 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.916 23.756 11.977 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.397 25.530 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.995 24.565 12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.914 23.939 14.402 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.372 24.749 14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.232 22.744 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.784 21.934 13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.568 21.287 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.984 22.115 15.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.481 22.899 15.987 1.00 0.00 H new ATOM 77 N PRO A 6 14.096 26.076 9.417 1.00 0.00 N ATOM 78 CA PRO A 6 14.271 27.483 9.018 1.00 0.00 C ATOM 79 C PRO A 6 14.511 28.409 10.224 1.00 0.00 C ATOM 80 O PRO A 6 15.078 28.001 11.241 1.00 0.00 O ATOM 81 CB PRO A 6 12.923 27.795 8.336 1.00 0.00 C ATOM 82 CG PRO A 6 11.948 26.908 9.015 1.00 0.00 C ATOM 83 CD PRO A 6 12.685 25.641 9.304 1.00 0.00 C ATOM 0 HA PRO A 6 15.141 27.641 8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.653 28.845 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.964 27.594 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.578 27.364 9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.082 26.721 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.334 25.175 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.554 24.910 8.506 1.00 0.00 H new ATOM 91 N LYS A 7 14.075 29.652 10.112 1.00 0.00 N ATOM 92 CA LYS A 7 14.229 30.626 11.188 1.00 0.00 C ATOM 93 C LYS A 7 12.916 30.761 11.955 1.00 0.00 C ATOM 94 O LYS A 7 12.685 31.722 12.691 1.00 0.00 O ATOM 95 CB LYS A 7 14.710 31.988 10.632 1.00 0.00 C ATOM 96 CG LYS A 7 14.075 32.415 9.299 1.00 0.00 C ATOM 97 CD LYS A 7 12.606 32.789 9.442 1.00 0.00 C ATOM 98 CE LYS A 7 12.027 33.271 8.120 1.00 0.00 C ATOM 99 NZ LYS A 7 10.609 33.684 8.251 1.00 0.00 N ATOM 0 H LYS A 7 13.608 30.016 9.282 1.00 0.00 H new ATOM 0 HA LYS A 7 14.993 30.275 11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.506 32.758 11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.792 31.948 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.625 33.265 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.171 31.602 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.042 31.926 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.499 33.570 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.616 34.110 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.106 32.476 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.324 34.220 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.009 32.840 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.498 34.283 9.094 1.00 0.00 H new ATOM 113 N GLU A 8 12.066 29.771 11.780 1.00 0.00 N ATOM 114 CA GLU A 8 10.760 29.716 12.405 1.00 0.00 C ATOM 115 C GLU A 8 10.476 28.282 12.827 1.00 0.00 C ATOM 116 O GLU A 8 11.252 27.377 12.501 1.00 0.00 O ATOM 117 CB GLU A 8 9.702 30.225 11.421 1.00 0.00 C ATOM 118 CG GLU A 8 9.865 29.655 10.022 1.00 0.00 C ATOM 119 CD GLU A 8 9.078 30.411 8.981 1.00 0.00 C ATOM 120 OE1 GLU A 8 9.107 31.658 8.994 1.00 0.00 O ATOM 121 OE2 GLU A 8 8.467 29.769 8.119 1.00 0.00 O ATOM 0 H GLU A 8 12.267 28.966 11.187 1.00 0.00 H new ATOM 0 HA GLU A 8 10.733 30.352 13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.712 29.970 11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.754 31.313 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.921 29.668 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.549 28.612 10.022 1.00 0.00 H new ATOM 128 N GLY A 9 9.381 28.050 13.531 1.00 0.00 N ATOM 129 CA GLY A 9 9.111 26.711 14.013 1.00 0.00 C ATOM 130 C GLY A 9 7.665 26.280 13.852 1.00 0.00 C ATOM 131 O GLY A 9 7.387 25.193 13.334 1.00 0.00 O ATOM 0 H GLY A 9 8.683 28.752 13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.751 26.008 13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.382 26.653 15.067 1.00 0.00 H new ATOM 135 N VAL A 10 6.733 27.108 14.288 1.00 0.00 N ATOM 136 CA VAL A 10 5.326 26.746 14.226 1.00 0.00 C ATOM 137 C VAL A 10 4.708 27.137 12.892 1.00 0.00 C ATOM 138 O VAL A 10 4.115 28.207 12.746 1.00 0.00 O ATOM 139 CB VAL A 10 4.510 27.363 15.385 1.00 0.00 C ATOM 140 CG1 VAL A 10 3.068 26.866 15.355 1.00 0.00 C ATOM 141 CG2 VAL A 10 5.156 27.044 16.726 1.00 0.00 C ATOM 0 H VAL A 10 6.921 28.028 14.686 1.00 0.00 H new ATOM 0 HA VAL A 10 5.286 25.661 14.327 1.00 0.00 H new ATOM 0 HB VAL A 10 4.502 28.445 15.256 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.512 27.313 16.179 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.605 27.149 14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.055 25.781 15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.566 27.487 17.529 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.199 25.963 16.861 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.166 27.453 16.750 1.00 0.00 H new ATOM 151 N LYS A 11 4.904 26.296 11.904 1.00 0.00 N ATOM 152 CA LYS A 11 4.327 26.497 10.600 1.00 0.00 C ATOM 153 C LYS A 11 3.962 25.158 9.985 1.00 0.00 C ATOM 154 O LYS A 11 4.755 24.210 10.026 1.00 0.00 O ATOM 155 CB LYS A 11 5.306 27.230 9.707 1.00 0.00 C ATOM 156 CG LYS A 11 4.714 27.648 8.386 1.00 0.00 C ATOM 157 CD LYS A 11 5.699 28.464 7.601 1.00 0.00 C ATOM 158 CE LYS A 11 5.086 29.036 6.339 1.00 0.00 C ATOM 159 NZ LYS A 11 3.926 29.912 6.638 1.00 0.00 N ATOM 0 H LYS A 11 5.470 25.451 11.984 1.00 0.00 H new ATOM 0 HA LYS A 11 3.424 27.099 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.671 28.114 10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.169 26.590 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.427 26.765 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.806 28.227 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.073 29.277 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.556 27.844 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.840 29.604 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.768 28.222 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.736 30.527 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.089 29.326 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.139 30.498 7.470 1.00 0.00 H new ATOM 173 N THR A 12 2.765 25.056 9.437 1.00 0.00 N ATOM 174 CA THR A 12 2.314 23.822 8.822 1.00 0.00 C ATOM 175 C THR A 12 2.955 23.639 7.437 1.00 0.00 C ATOM 176 O THR A 12 3.579 24.559 6.896 1.00 0.00 O ATOM 177 CB THR A 12 0.760 23.784 8.712 1.00 0.00 C ATOM 178 OG1 THR A 12 0.311 22.475 8.328 1.00 0.00 O ATOM 179 CG2 THR A 12 0.253 24.810 7.703 1.00 0.00 C ATOM 0 H THR A 12 2.086 25.816 9.406 1.00 0.00 H new ATOM 0 HA THR A 12 2.628 22.997 9.461 1.00 0.00 H new ATOM 0 HB THR A 12 0.357 24.030 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.667 22.470 8.266 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.834 24.760 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.555 25.809 8.017 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.676 24.595 6.722 1.00 0.00 H new ATOM 187 N GLU A 13 2.801 22.459 6.862 1.00 0.00 N ATOM 188 CA GLU A 13 3.406 22.156 5.583 1.00 0.00 C ATOM 189 C GLU A 13 2.371 22.071 4.485 1.00 0.00 C ATOM 190 O GLU A 13 1.389 21.332 4.591 1.00 0.00 O ATOM 191 CB GLU A 13 4.132 20.826 5.630 1.00 0.00 C ATOM 192 CG GLU A 13 5.172 20.693 6.718 1.00 0.00 C ATOM 193 CD GLU A 13 5.620 19.262 6.875 1.00 0.00 C ATOM 194 OE1 GLU A 13 6.280 18.734 5.955 1.00 0.00 O ATOM 195 OE2 GLU A 13 5.295 18.646 7.909 1.00 0.00 O ATOM 0 H GLU A 13 2.259 21.694 7.265 1.00 0.00 H new ATOM 0 HA GLU A 13 4.104 22.966 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.395 20.033 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.615 20.661 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.031 21.321 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.763 21.054 7.662 1.00 0.00 H new ATOM 202 N ASN A 14 2.581 22.834 3.434 1.00 0.00 N ATOM 203 CA ASN A 14 1.769 22.760 2.208 1.00 0.00 C ATOM 204 C ASN A 14 1.982 21.430 1.458 1.00 0.00 C ATOM 205 O ASN A 14 1.903 21.366 0.233 1.00 0.00 O ATOM 206 CB ASN A 14 2.121 23.939 1.293 1.00 0.00 C ATOM 207 CG ASN A 14 3.618 24.069 1.047 1.00 0.00 C ATOM 208 OD1 ASN A 14 4.303 24.763 1.943 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 4.154 23.543 0.075 1.00 0.00 N flip ATOM 0 H ASN A 14 3.323 23.533 3.392 1.00 0.00 H new ATOM 0 HA ASN A 14 0.718 22.810 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.610 23.817 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.749 24.862 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.593 23.016 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.161 23.633 -0.063 1.00 0.00 H new ATOM 216 N ASN A 15 2.226 20.367 2.200 1.00 0.00 N ATOM 217 CA ASN A 15 2.425 19.054 1.633 1.00 0.00 C ATOM 218 C ASN A 15 1.103 18.327 1.522 1.00 0.00 C ATOM 219 O ASN A 15 0.565 17.820 2.515 1.00 0.00 O ATOM 220 CB ASN A 15 3.415 18.244 2.478 1.00 0.00 C ATOM 221 CG ASN A 15 4.858 18.528 2.110 1.00 0.00 C ATOM 222 OD1 ASN A 15 5.191 18.688 0.934 1.00 0.00 O ATOM 223 ND2 ASN A 15 5.719 18.613 3.106 1.00 0.00 N ATOM 0 H ASN A 15 2.291 20.394 3.218 1.00 0.00 H new ATOM 0 HA ASN A 15 2.845 19.168 0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.260 18.473 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.213 17.181 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.700 18.818 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.404 18.474 4.066 1.00 0.00 H new ATOM 230 N ASP A 16 0.581 18.263 0.313 1.00 0.00 N ATOM 231 CA ASP A 16 -0.698 17.622 0.064 1.00 0.00 C ATOM 232 C ASP A 16 -0.539 16.124 0.101 1.00 0.00 C ATOM 233 O ASP A 16 -0.071 15.499 -0.862 1.00 0.00 O ATOM 234 CB ASP A 16 -1.297 18.060 -1.274 1.00 0.00 C ATOM 235 CG ASP A 16 -1.965 19.417 -1.206 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.150 19.486 -0.807 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.322 20.428 -1.558 1.00 0.00 O ATOM 0 H ASP A 16 1.026 18.650 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.387 17.931 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.510 18.086 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.026 17.318 -1.600 1.00 0.00 H new ATOM 242 N HIS A 17 -0.889 15.532 1.218 1.00 0.00 N ATOM 243 CA HIS A 17 -0.754 14.110 1.370 1.00 0.00 C ATOM 244 C HIS A 17 -2.080 13.459 1.686 1.00 0.00 C ATOM 245 O HIS A 17 -2.932 14.032 2.372 1.00 0.00 O ATOM 246 CB HIS A 17 0.311 13.757 2.423 1.00 0.00 C ATOM 247 CG HIS A 17 -0.027 14.152 3.828 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.194 15.417 4.336 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.548 13.429 4.845 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.173 15.449 5.601 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.629 14.257 5.933 1.00 0.00 N ATOM 0 H HIS A 17 -1.269 16.016 2.032 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.415 13.710 0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.483 12.681 2.396 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.249 14.237 2.143 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.581 16.203 3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.845 12.391 4.806 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.111 16.306 6.255 1.00 0.00 H new ATOM 260 N ILE A 18 -2.250 12.260 1.191 1.00 0.00 N ATOM 261 CA ILE A 18 -3.472 11.525 1.372 1.00 0.00 C ATOM 262 C ILE A 18 -3.180 10.148 1.942 1.00 0.00 C ATOM 263 O ILE A 18 -2.029 9.703 1.993 1.00 0.00 O ATOM 264 CB ILE A 18 -4.255 11.372 0.037 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.378 10.704 -1.031 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.754 12.731 -0.455 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.128 10.312 -2.289 1.00 0.00 C ATOM 0 H ILE A 18 -1.541 11.766 0.649 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.089 12.091 2.070 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.120 10.734 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.569 11.384 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.917 9.814 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.299 12.602 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.415 13.168 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.904 13.393 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.439 9.847 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.919 9.606 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.566 11.201 -2.743 1.00 0.00 H new ATOM 279 N ASN A 19 -4.214 9.484 2.383 1.00 0.00 N ATOM 280 CA ASN A 19 -4.104 8.145 2.925 1.00 0.00 C ATOM 281 C ASN A 19 -4.527 7.144 1.877 1.00 0.00 C ATOM 282 O ASN A 19 -5.478 7.371 1.152 1.00 0.00 O ATOM 283 CB ASN A 19 -4.993 8.010 4.177 1.00 0.00 C ATOM 284 CG ASN A 19 -5.010 6.606 4.767 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.797 5.760 4.359 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.158 6.360 5.746 1.00 0.00 N ATOM 0 H ASN A 19 -5.165 9.854 2.379 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.069 7.952 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.644 8.710 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.012 8.299 3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.141 5.441 6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.517 7.089 6.060 1.00 0.00 H new ATOM 293 N LEU A 20 -3.809 6.064 1.757 1.00 0.00 N ATOM 294 CA LEU A 20 -4.180 5.022 0.823 1.00 0.00 C ATOM 295 C LEU A 20 -4.229 3.705 1.527 1.00 0.00 C ATOM 296 O LEU A 20 -3.359 3.389 2.334 1.00 0.00 O ATOM 297 CB LEU A 20 -3.224 4.942 -0.384 1.00 0.00 C ATOM 298 CG LEU A 20 -3.356 6.051 -1.441 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.813 6.285 -1.810 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.701 7.326 -0.969 1.00 0.00 C ATOM 0 H LEU A 20 -2.961 5.875 2.292 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.167 5.272 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.201 4.949 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.377 3.982 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.836 5.722 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.876 7.074 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.238 5.366 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.370 6.582 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.808 8.095 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.179 7.661 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.643 7.144 -0.783 1.00 0.00 H new ATOM 312 N LYS A 21 -5.250 2.941 1.258 1.00 0.00 N ATOM 313 CA LYS A 21 -5.392 1.657 1.873 1.00 0.00 C ATOM 314 C LYS A 21 -5.414 0.584 0.827 1.00 0.00 C ATOM 315 O LYS A 21 -5.931 0.771 -0.262 1.00 0.00 O ATOM 316 CB LYS A 21 -6.651 1.603 2.725 1.00 0.00 C ATOM 317 CG LYS A 21 -6.671 2.646 3.827 1.00 0.00 C ATOM 318 CD LYS A 21 -7.823 2.420 4.790 1.00 0.00 C ATOM 319 CE LYS A 21 -9.171 2.575 4.109 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.284 2.220 5.019 1.00 0.00 N ATOM 0 H LYS A 21 -5.999 3.190 0.612 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.536 1.489 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.522 1.743 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.739 0.612 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.728 2.617 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.754 3.640 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.746 1.421 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.750 3.128 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.292 3.604 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.207 1.940 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.190 2.337 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.182 1.231 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.263 2.842 5.852 1.00 0.00 H new ATOM 334 N VAL A 22 -4.856 -0.535 1.150 1.00 0.00 N ATOM 335 CA VAL A 22 -4.777 -1.636 0.231 1.00 0.00 C ATOM 336 C VAL A 22 -5.417 -2.870 0.844 1.00 0.00 C ATOM 337 O VAL A 22 -5.176 -3.192 1.999 1.00 0.00 O ATOM 338 CB VAL A 22 -3.309 -1.923 -0.154 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.477 -2.165 1.065 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.209 -3.083 -1.114 1.00 0.00 C ATOM 0 H VAL A 22 -4.438 -0.719 2.062 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.319 -1.371 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.920 -1.040 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.447 -2.365 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.506 -1.284 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.871 -3.023 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.163 -3.259 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.626 -3.977 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.766 -2.853 -2.022 1.00 0.00 H new ATOM 350 N ALA A 23 -6.231 -3.553 0.074 1.00 0.00 N ATOM 351 CA ALA A 23 -6.924 -4.729 0.550 1.00 0.00 C ATOM 352 C ALA A 23 -6.501 -5.944 -0.254 1.00 0.00 C ATOM 353 O ALA A 23 -6.699 -6.007 -1.477 1.00 0.00 O ATOM 354 CB ALA A 23 -8.429 -4.534 0.461 1.00 0.00 C ATOM 0 H ALA A 23 -6.432 -3.311 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.660 -4.889 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.934 -5.429 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.722 -3.680 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.712 -4.353 -0.576 1.00 0.00 H new ATOM 360 N GLY A 24 -5.912 -6.898 0.415 1.00 0.00 N ATOM 361 CA GLY A 24 -5.461 -8.082 -0.239 1.00 0.00 C ATOM 362 C GLY A 24 -6.559 -9.097 -0.391 1.00 0.00 C ATOM 363 O GLY A 24 -7.531 -9.098 0.365 1.00 0.00 O ATOM 0 H GLY A 24 -5.735 -6.871 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.067 -7.825 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.640 -8.519 0.329 1.00 0.00 H new ATOM 367 N GLN A 25 -6.415 -9.957 -1.378 1.00 0.00 N ATOM 368 CA GLN A 25 -7.366 -11.037 -1.644 1.00 0.00 C ATOM 369 C GLN A 25 -7.545 -11.986 -0.445 1.00 0.00 C ATOM 370 O GLN A 25 -8.492 -12.771 -0.396 1.00 0.00 O ATOM 371 CB GLN A 25 -6.936 -11.828 -2.895 1.00 0.00 C ATOM 372 CG GLN A 25 -5.412 -11.944 -3.110 1.00 0.00 C ATOM 373 CD GLN A 25 -4.667 -12.620 -1.965 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.136 -11.826 -1.047 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -4.539 -13.840 -1.932 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.630 -9.933 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.335 -10.570 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.355 -12.832 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.375 -11.354 -3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.228 -12.502 -4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.000 -10.945 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.963 -14.417 -2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.008 -14.277 -1.178 1.00 0.00 H new ATOM 384 N ASP A 26 -6.640 -11.921 0.513 1.00 0.00 N ATOM 385 CA ASP A 26 -6.704 -12.771 1.689 1.00 0.00 C ATOM 386 C ASP A 26 -7.435 -12.067 2.828 1.00 0.00 C ATOM 387 O ASP A 26 -7.784 -12.684 3.829 1.00 0.00 O ATOM 388 CB ASP A 26 -5.297 -13.169 2.135 1.00 0.00 C ATOM 389 CG ASP A 26 -4.504 -11.990 2.631 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.273 -11.051 1.840 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.125 -11.988 3.817 1.00 0.00 O ATOM 0 H ASP A 26 -5.845 -11.283 0.500 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.260 -13.671 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.366 -13.917 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.771 -13.634 1.301 1.00 0.00 H new ATOM 396 N GLY A 27 -7.680 -10.771 2.673 1.00 0.00 N ATOM 397 CA GLY A 27 -8.405 -10.031 3.684 1.00 0.00 C ATOM 398 C GLY A 27 -7.514 -9.124 4.493 1.00 0.00 C ATOM 399 O GLY A 27 -7.946 -8.527 5.479 1.00 0.00 O ATOM 0 H GLY A 27 -7.389 -10.221 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.183 -9.436 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.906 -10.732 4.352 1.00 0.00 H new ATOM 403 N SER A 28 -6.270 -9.006 4.089 1.00 0.00 N ATOM 404 CA SER A 28 -5.328 -8.158 4.780 1.00 0.00 C ATOM 405 C SER A 28 -5.319 -6.752 4.190 1.00 0.00 C ATOM 406 O SER A 28 -5.128 -6.573 2.994 1.00 0.00 O ATOM 407 CB SER A 28 -3.947 -8.767 4.696 1.00 0.00 C ATOM 408 OG SER A 28 -3.895 -9.998 5.389 1.00 0.00 O ATOM 0 H SER A 28 -5.885 -9.491 3.278 1.00 0.00 H new ATOM 0 HA SER A 28 -5.631 -8.081 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.676 -8.922 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.215 -8.077 5.116 1.00 0.00 H new ATOM 0 HG SER A 28 -4.020 -10.735 4.756 1.00 0.00 H new ATOM 414 N VAL A 29 -5.537 -5.756 5.025 1.00 0.00 N ATOM 415 CA VAL A 29 -5.548 -4.375 4.575 1.00 0.00 C ATOM 416 C VAL A 29 -4.478 -3.545 5.281 1.00 0.00 C ATOM 417 O VAL A 29 -4.329 -3.599 6.502 1.00 0.00 O ATOM 418 CB VAL A 29 -6.951 -3.729 4.755 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.511 -4.028 6.129 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.910 -2.221 4.506 1.00 0.00 C ATOM 0 H VAL A 29 -5.710 -5.876 6.023 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.315 -4.385 3.510 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.613 -4.171 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.493 -3.565 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.603 -5.106 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.841 -3.628 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.908 -1.803 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.223 -1.754 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.571 -2.029 3.488 1.00 0.00 H new ATOM 430 N VAL A 30 -3.720 -2.781 4.502 1.00 0.00 N ATOM 431 CA VAL A 30 -2.678 -1.931 5.046 1.00 0.00 C ATOM 432 C VAL A 30 -2.967 -0.474 4.714 1.00 0.00 C ATOM 433 O VAL A 30 -3.360 -0.155 3.594 1.00 0.00 O ATOM 434 CB VAL A 30 -1.283 -2.294 4.494 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.193 -1.603 5.302 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.076 -3.799 4.476 1.00 0.00 C ATOM 0 H VAL A 30 -3.812 -2.736 3.487 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.673 -2.085 6.125 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.222 -1.940 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.784 -1.870 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.326 -0.523 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.255 -1.921 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.085 -4.025 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.162 -4.190 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.832 -4.263 3.843 1.00 0.00 H new ATOM 446 N GLN A 31 -2.813 0.407 5.689 1.00 0.00 N ATOM 447 CA GLN A 31 -3.045 1.823 5.469 1.00 0.00 C ATOM 448 C GLN A 31 -1.719 2.581 5.382 1.00 0.00 C ATOM 449 O GLN A 31 -0.766 2.266 6.097 1.00 0.00 O ATOM 450 CB GLN A 31 -3.921 2.418 6.584 1.00 0.00 C ATOM 451 CG GLN A 31 -5.234 1.672 6.850 1.00 0.00 C ATOM 452 CD GLN A 31 -5.103 0.535 7.855 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.901 -0.674 7.364 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.223 0.743 9.061 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.529 0.166 6.639 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.573 1.931 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.341 2.441 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.154 3.452 6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.977 2.382 7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.610 1.271 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.378 1.692 9.402 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.167 -0.033 9.720 1.00 0.00 H new ATOM 463 N PHE A 32 -1.651 3.575 4.493 1.00 0.00 N ATOM 464 CA PHE A 32 -0.423 4.358 4.294 1.00 0.00 C ATOM 465 C PHE A 32 -0.728 5.852 4.222 1.00 0.00 C ATOM 466 O PHE A 32 -1.863 6.259 3.983 1.00 0.00 O ATOM 467 CB PHE A 32 0.270 3.956 2.986 1.00 0.00 C ATOM 468 CG PHE A 32 0.402 2.485 2.772 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.640 1.771 2.217 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.565 1.816 3.109 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.531 0.426 2.004 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.681 0.460 2.897 1.00 0.00 C ATOM 473 CZ PHE A 32 0.626 -0.236 2.343 1.00 0.00 C ATOM 0 H PHE A 32 -2.430 3.859 3.899 1.00 0.00 H new ATOM 0 HA PHE A 32 0.226 4.153 5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.287 4.382 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.264 4.402 2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.553 2.282 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.390 2.362 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.355 -0.119 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.592 -0.055 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.709 -1.300 2.176 1.00 0.00 H new HETATM 483 OH ALY A 33 -3.015 12.764 6.948 1.00 0.00 O HETATM 484 CH ALY A 33 -4.050 12.103 6.862 1.00 0.00 C HETATM 485 CH3 ALY A 33 -5.388 12.697 7.167 1.00 0.00 C HETATM 486 NZ ALY A 33 -4.048 10.841 6.463 1.00 0.00 N HETATM 487 CE ALY A 33 -3.105 9.845 6.949 1.00 0.00 C HETATM 488 CD ALY A 33 -1.970 9.636 5.970 1.00 0.00 C HETATM 489 CG ALY A 33 -0.905 8.721 6.536 1.00 0.00 C HETATM 490 CB ALY A 33 0.346 8.763 5.683 1.00 0.00 C HETATM 491 CA ALY A 33 0.197 8.110 4.307 1.00 0.00 C HETATM 492 N ALY A 33 0.301 6.660 4.404 1.00 0.00 N HETATM 493 C ALY A 33 1.273 8.636 3.369 1.00 0.00 C HETATM 494 O ALY A 33 2.451 8.709 3.732 1.00 0.00 O HETATM 0 HH33 ALY A 33 -5.404 13.047 8.199 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -5.575 13.536 6.497 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -6.162 11.942 7.028 1.00 0.00 H new HETATM 0 HZ ALY A 33 -4.745 10.551 5.778 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -1.284 7.700 6.584 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.666 9.021 7.556 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -3.624 8.901 7.114 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -2.704 10.161 7.912 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -1.526 10.599 5.717 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.361 9.212 5.045 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.788 8.361 3.914 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.154 8.268 6.221 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.644 9.803 5.548 1.00 0.00 H new ATOM 509 N ILE A 34 0.883 8.997 2.161 1.00 0.00 N ATOM 510 CA ILE A 34 1.840 9.465 1.163 1.00 0.00 C ATOM 511 C ILE A 34 1.335 10.731 0.502 1.00 0.00 C ATOM 512 O ILE A 34 0.181 11.115 0.673 1.00 0.00 O ATOM 513 CB ILE A 34 2.120 8.400 0.061 1.00 0.00 C ATOM 514 CG1 ILE A 34 0.893 8.218 -0.838 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.523 7.070 0.690 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.117 7.268 -1.998 1.00 0.00 C ATOM 0 H ILE A 34 -0.086 8.977 1.843 1.00 0.00 H new ATOM 0 HA ILE A 34 2.772 9.659 1.693 1.00 0.00 H new ATOM 0 HB ILE A 34 2.947 8.754 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.064 7.849 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.594 9.190 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.714 6.339 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.426 7.208 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.717 6.712 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.203 7.192 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.924 7.645 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.385 6.283 -1.615 1.00 0.00 H new ATOM 528 N LYS A 35 2.183 11.381 -0.259 1.00 0.00 N ATOM 529 CA LYS A 35 1.798 12.589 -0.934 1.00 0.00 C ATOM 530 C LYS A 35 1.154 12.279 -2.273 1.00 0.00 C ATOM 531 O LYS A 35 1.441 11.259 -2.895 1.00 0.00 O ATOM 532 CB LYS A 35 2.990 13.516 -1.108 1.00 0.00 C ATOM 533 CG LYS A 35 3.492 14.122 0.196 1.00 0.00 C ATOM 534 CD LYS A 35 4.690 15.029 -0.037 1.00 0.00 C ATOM 535 CE LYS A 35 4.438 15.973 -1.196 1.00 0.00 C ATOM 536 NZ LYS A 35 5.499 17.007 -1.327 1.00 0.00 N ATOM 0 H LYS A 35 3.146 11.089 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 35 1.060 13.100 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.803 12.963 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.716 14.321 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.690 14.690 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.766 13.325 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.897 15.603 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.574 14.425 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.377 15.400 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.473 16.462 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.366 17.530 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.441 17.667 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.432 16.548 -1.331 1.00 0.00 H new ATOM 550 N ARG A 36 0.290 13.173 -2.726 1.00 0.00 N ATOM 551 CA ARG A 36 -0.442 12.998 -3.977 1.00 0.00 C ATOM 552 C ARG A 36 0.489 12.982 -5.187 1.00 0.00 C ATOM 553 O ARG A 36 0.173 12.404 -6.220 1.00 0.00 O ATOM 554 CB ARG A 36 -1.450 14.118 -4.137 1.00 0.00 C ATOM 555 CG ARG A 36 -0.822 15.493 -4.078 1.00 0.00 C ATOM 556 CD ARG A 36 -1.748 16.532 -4.626 1.00 0.00 C ATOM 557 NE ARG A 36 -1.138 17.862 -4.624 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.774 18.983 -4.972 1.00 0.00 C ATOM 559 NH1 ARG A 36 -3.046 18.942 -5.363 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.137 20.145 -4.915 1.00 0.00 N ATOM 0 H ARG A 36 0.074 14.043 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.949 12.034 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.966 14.001 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.204 14.035 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.568 15.736 -3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.109 15.496 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.032 16.265 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.663 16.551 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.162 17.938 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.540 18.050 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.526 19.802 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.165 20.179 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.619 21.004 -5.180 1.00 0.00 H new ATOM 574 N HIS A 37 1.652 13.586 -5.049 1.00 0.00 N ATOM 575 CA HIS A 37 2.588 13.695 -6.158 1.00 0.00 C ATOM 576 C HIS A 37 3.710 12.699 -5.950 1.00 0.00 C ATOM 577 O HIS A 37 4.612 12.552 -6.770 1.00 0.00 O ATOM 578 CB HIS A 37 3.138 15.121 -6.219 1.00 0.00 C ATOM 579 CG HIS A 37 3.940 15.430 -7.451 1.00 0.00 C ATOM 580 ND1 HIS A 37 3.368 15.795 -8.645 1.00 0.00 N ATOM 581 CD2 HIS A 37 5.278 15.438 -7.665 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.307 16.014 -9.538 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.477 15.806 -8.972 1.00 0.00 N ATOM 0 H HIS A 37 1.975 14.011 -4.180 1.00 0.00 H new ATOM 0 HA HIS A 37 2.087 13.476 -7.101 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.304 15.821 -6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.762 15.293 -5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.044 15.199 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.146 16.314 -10.563 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.383 15.903 -9.430 1.00 0.00 H new ATOM 592 N THR A 38 3.631 12.017 -4.846 1.00 0.00 N ATOM 593 CA THR A 38 4.597 11.041 -4.457 1.00 0.00 C ATOM 594 C THR A 38 4.243 9.673 -5.053 1.00 0.00 C ATOM 595 O THR A 38 3.078 9.289 -5.074 1.00 0.00 O ATOM 596 CB THR A 38 4.633 10.985 -2.920 1.00 0.00 C ATOM 597 OG1 THR A 38 5.473 12.028 -2.413 1.00 0.00 O ATOM 598 CG2 THR A 38 5.087 9.648 -2.398 1.00 0.00 C ATOM 0 H THR A 38 2.871 12.130 -4.175 1.00 0.00 H new ATOM 0 HA THR A 38 5.583 11.314 -4.834 1.00 0.00 H new ATOM 0 HB THR A 38 3.612 11.131 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.516 11.968 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.093 9.666 -1.308 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.405 8.872 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.092 9.437 -2.763 1.00 0.00 H new ATOM 606 N PRO A 39 5.248 8.932 -5.562 1.00 0.00 N ATOM 607 CA PRO A 39 5.030 7.626 -6.182 1.00 0.00 C ATOM 608 C PRO A 39 4.379 6.630 -5.229 1.00 0.00 C ATOM 609 O PRO A 39 4.896 6.342 -4.143 1.00 0.00 O ATOM 610 CB PRO A 39 6.443 7.161 -6.565 1.00 0.00 C ATOM 611 CG PRO A 39 7.351 7.977 -5.715 1.00 0.00 C ATOM 612 CD PRO A 39 6.672 9.303 -5.560 1.00 0.00 C ATOM 0 HA PRO A 39 4.349 7.693 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.574 6.096 -6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.640 7.323 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.513 7.503 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.329 8.090 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.961 9.801 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.916 9.982 -6.377 1.00 0.00 H new ATOM 620 N LEU A 40 3.238 6.103 -5.637 1.00 0.00 N ATOM 621 CA LEU A 40 2.507 5.126 -4.846 1.00 0.00 C ATOM 622 C LEU A 40 3.263 3.802 -4.757 1.00 0.00 C ATOM 623 O LEU A 40 2.969 2.955 -3.913 1.00 0.00 O ATOM 624 CB LEU A 40 1.076 4.926 -5.396 1.00 0.00 C ATOM 625 CG LEU A 40 0.926 4.826 -6.926 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.570 3.561 -7.472 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.539 4.883 -7.317 1.00 0.00 C ATOM 0 H LEU A 40 2.792 6.339 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 40 2.420 5.517 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.667 4.017 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.460 5.755 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 40 1.445 5.678 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.443 3.526 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.633 3.561 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.096 2.688 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.629 4.811 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.072 4.053 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.969 5.826 -6.979 1.00 0.00 H new ATOM 639 N SER A 41 4.238 3.626 -5.649 1.00 0.00 N ATOM 640 CA SER A 41 5.060 2.425 -5.707 1.00 0.00 C ATOM 641 C SER A 41 5.673 2.089 -4.351 1.00 0.00 C ATOM 642 O SER A 41 5.888 0.917 -4.026 1.00 0.00 O ATOM 643 CB SER A 41 6.161 2.615 -6.740 1.00 0.00 C ATOM 644 OG SER A 41 6.781 3.879 -6.585 1.00 0.00 O ATOM 0 H SER A 41 4.479 4.321 -6.356 1.00 0.00 H new ATOM 0 HA SER A 41 4.419 1.591 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.904 1.825 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.744 2.530 -7.743 1.00 0.00 H new ATOM 0 HG SER A 41 7.487 3.982 -7.257 1.00 0.00 H new ATOM 650 N LYS A 42 5.932 3.118 -3.547 1.00 0.00 N ATOM 651 CA LYS A 42 6.522 2.916 -2.240 1.00 0.00 C ATOM 652 C LYS A 42 5.578 2.122 -1.339 1.00 0.00 C ATOM 653 O LYS A 42 6.003 1.212 -0.638 1.00 0.00 O ATOM 654 CB LYS A 42 6.903 4.248 -1.590 1.00 0.00 C ATOM 655 CG LYS A 42 7.889 5.066 -2.414 1.00 0.00 C ATOM 656 CD LYS A 42 8.601 6.119 -1.572 1.00 0.00 C ATOM 657 CE LYS A 42 7.630 7.088 -0.917 1.00 0.00 C ATOM 658 NZ LYS A 42 8.337 8.083 -0.073 1.00 0.00 N ATOM 0 H LYS A 42 5.741 4.092 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 42 7.437 2.338 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.000 4.837 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.335 4.054 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.627 4.400 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.360 5.553 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.193 5.625 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.296 6.675 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.056 7.605 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.917 6.533 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.644 8.728 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.864 7.591 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.999 8.629 -0.661 1.00 0.00 H new ATOM 672 N LEU A 43 4.284 2.455 -1.375 1.00 0.00 N ATOM 673 CA LEU A 43 3.302 1.730 -0.572 1.00 0.00 C ATOM 674 C LEU A 43 3.095 0.332 -1.131 1.00 0.00 C ATOM 675 O LEU A 43 2.899 -0.625 -0.387 1.00 0.00 O ATOM 676 CB LEU A 43 1.948 2.498 -0.472 1.00 0.00 C ATOM 677 CG LEU A 43 0.928 2.319 -1.623 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.139 1.014 -1.482 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.033 3.485 -1.667 1.00 0.00 C ATOM 0 H LEU A 43 3.899 3.210 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 43 3.696 1.648 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.461 2.198 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.172 3.561 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 43 1.495 2.279 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.566 0.924 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.827 0.169 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.406 1.019 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.742 3.341 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.574 3.547 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.523 4.409 -1.828 1.00 0.00 H new ATOM 691 N MET A 44 3.145 0.212 -2.457 1.00 0.00 N ATOM 692 CA MET A 44 2.930 -1.071 -3.107 1.00 0.00 C ATOM 693 C MET A 44 4.007 -2.062 -2.710 1.00 0.00 C ATOM 694 O MET A 44 3.715 -3.198 -2.322 1.00 0.00 O ATOM 695 CB MET A 44 2.860 -0.927 -4.633 1.00 0.00 C ATOM 696 CG MET A 44 1.744 -0.015 -5.120 1.00 0.00 C ATOM 697 SD MET A 44 1.306 -0.308 -6.848 1.00 0.00 S ATOM 698 CE MET A 44 2.880 -0.063 -7.663 1.00 0.00 C ATOM 0 H MET A 44 3.332 0.985 -3.095 1.00 0.00 H new ATOM 0 HA MET A 44 1.967 -1.453 -2.768 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.813 -0.542 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.727 -1.915 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.862 -0.162 -4.496 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.051 1.024 -4.999 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.800 -0.366 -8.707 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.157 0.990 -7.611 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.643 -0.664 -7.168 1.00 0.00 H new ATOM 708 N LYS A 45 5.261 -1.647 -2.802 1.00 0.00 N ATOM 709 CA LYS A 45 6.356 -2.490 -2.392 1.00 0.00 C ATOM 710 C LYS A 45 6.319 -2.716 -0.895 1.00 0.00 C ATOM 711 O LYS A 45 6.589 -3.812 -0.425 1.00 0.00 O ATOM 712 CB LYS A 45 7.676 -1.876 -2.807 1.00 0.00 C ATOM 713 CG LYS A 45 7.903 -1.895 -4.308 1.00 0.00 C ATOM 714 CD LYS A 45 8.160 -3.310 -4.833 1.00 0.00 C ATOM 715 CE LYS A 45 9.422 -3.936 -4.238 1.00 0.00 C ATOM 716 NZ LYS A 45 10.650 -3.199 -4.621 1.00 0.00 N ATOM 0 H LYS A 45 5.538 -0.732 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 45 6.255 -3.456 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.716 -0.846 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.488 -2.413 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.032 -1.474 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.752 -1.258 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.302 -3.941 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.251 -3.280 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.337 -3.956 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.503 -4.971 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.486 -3.725 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.686 -3.098 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.641 -2.257 -4.181 1.00 0.00 H new ATOM 730 N ALA A 46 5.948 -1.679 -0.144 1.00 0.00 N ATOM 731 CA ALA A 46 5.848 -1.783 1.306 1.00 0.00 C ATOM 732 C ALA A 46 4.866 -2.875 1.682 1.00 0.00 C ATOM 733 O ALA A 46 5.115 -3.679 2.578 1.00 0.00 O ATOM 734 CB ALA A 46 5.417 -0.454 1.906 1.00 0.00 C ATOM 0 H ALA A 46 5.713 -0.760 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 46 6.829 -2.039 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.347 -0.550 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.150 0.313 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.444 -0.171 1.503 1.00 0.00 H new ATOM 740 N TYR A 47 3.742 -2.900 0.979 1.00 0.00 N ATOM 741 CA TYR A 47 2.729 -3.911 1.182 1.00 0.00 C ATOM 742 C TYR A 47 3.318 -5.301 1.009 1.00 0.00 C ATOM 743 O TYR A 47 3.234 -6.133 1.903 1.00 0.00 O ATOM 744 CB TYR A 47 1.571 -3.714 0.207 1.00 0.00 C ATOM 745 CG TYR A 47 0.513 -4.795 0.285 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.556 -4.676 1.148 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.589 -5.928 -0.510 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.530 -5.649 1.221 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.376 -6.913 -0.446 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.438 -6.767 0.422 1.00 0.00 C ATOM 751 OH TYR A 47 -2.405 -7.742 0.493 1.00 0.00 O ATOM 0 H TYR A 47 3.513 -2.219 0.255 1.00 0.00 H new ATOM 0 HA TYR A 47 2.353 -3.813 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.105 -2.748 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.966 -3.678 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.632 -3.803 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.419 -6.042 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.361 -5.535 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.300 -7.791 -1.071 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.191 -8.462 -0.137 1.00 0.00 H new ATOM 761 N CYS A 48 3.938 -5.546 -0.133 1.00 0.00 N ATOM 762 CA CYS A 48 4.501 -6.851 -0.437 1.00 0.00 C ATOM 763 C CYS A 48 5.615 -7.212 0.541 1.00 0.00 C ATOM 764 O CYS A 48 5.680 -8.332 1.037 1.00 0.00 O ATOM 765 CB CYS A 48 5.032 -6.875 -1.876 1.00 0.00 C ATOM 766 SG CYS A 48 3.852 -6.284 -3.102 1.00 0.00 S ATOM 0 H CYS A 48 4.065 -4.852 -0.870 1.00 0.00 H new ATOM 0 HA CYS A 48 3.709 -7.593 -0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.933 -6.264 -1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.322 -7.895 -2.128 1.00 0.00 H new ATOM 0 HG CYS A 48 3.675 -5.005 -2.952 1.00 0.00 H new ATOM 772 N GLU A 49 6.472 -6.248 0.847 1.00 0.00 N ATOM 773 CA GLU A 49 7.602 -6.485 1.728 1.00 0.00 C ATOM 774 C GLU A 49 7.160 -6.794 3.155 1.00 0.00 C ATOM 775 O GLU A 49 7.770 -7.614 3.834 1.00 0.00 O ATOM 776 CB GLU A 49 8.568 -5.297 1.711 1.00 0.00 C ATOM 777 CG GLU A 49 9.264 -5.093 0.371 1.00 0.00 C ATOM 778 CD GLU A 49 10.245 -3.941 0.390 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.428 -4.169 0.726 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.845 -2.808 0.066 1.00 0.00 O ATOM 0 H GLU A 49 6.404 -5.293 0.496 1.00 0.00 H new ATOM 0 HA GLU A 49 8.123 -7.364 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.020 -4.390 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.323 -5.442 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.790 -6.008 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.514 -4.913 -0.399 1.00 0.00 H new ATOM 787 N ARG A 50 6.092 -6.153 3.616 1.00 0.00 N ATOM 788 CA ARG A 50 5.618 -6.385 4.973 1.00 0.00 C ATOM 789 C ARG A 50 4.697 -7.607 5.029 1.00 0.00 C ATOM 790 O ARG A 50 4.674 -8.335 6.012 1.00 0.00 O ATOM 791 CB ARG A 50 4.895 -5.139 5.532 1.00 0.00 C ATOM 792 CG ARG A 50 3.506 -4.906 4.950 1.00 0.00 C ATOM 793 CD ARG A 50 2.851 -3.647 5.509 1.00 0.00 C ATOM 794 NE ARG A 50 2.959 -3.554 6.969 1.00 0.00 N ATOM 795 CZ ARG A 50 1.926 -3.644 7.817 1.00 0.00 C ATOM 796 NH1 ARG A 50 0.717 -3.964 7.374 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.115 -3.442 9.108 1.00 0.00 N ATOM 0 H ARG A 50 5.546 -5.479 3.079 1.00 0.00 H new ATOM 0 HA ARG A 50 6.489 -6.581 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.811 -5.237 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.509 -4.260 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.577 -4.825 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.875 -5.768 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.315 -2.770 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.799 -3.633 5.225 1.00 0.00 H new ATOM 0 HE ARG A 50 3.887 -3.411 7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.569 -4.144 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.064 -4.030 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.046 -3.218 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.330 -3.510 9.755 1.00 0.00 H new ATOM 811 N GLN A 51 3.925 -7.823 3.963 1.00 0.00 N ATOM 812 CA GLN A 51 2.984 -8.937 3.910 1.00 0.00 C ATOM 813 C GLN A 51 3.636 -10.252 3.488 1.00 0.00 C ATOM 814 O GLN A 51 3.040 -11.320 3.626 1.00 0.00 O ATOM 815 CB GLN A 51 1.804 -8.601 3.007 1.00 0.00 C ATOM 816 CG GLN A 51 0.902 -7.532 3.590 1.00 0.00 C ATOM 817 CD GLN A 51 0.306 -7.942 4.926 1.00 0.00 C ATOM 818 OE1 GLN A 51 1.030 -7.689 6.004 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -0.782 -8.500 4.986 1.00 0.00 N flip ATOM 0 H GLN A 51 3.935 -7.240 3.126 1.00 0.00 H new ATOM 0 HA GLN A 51 2.621 -9.087 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.177 -8.266 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.220 -9.504 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.470 -6.610 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.097 -7.317 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.312 -8.678 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.159 -8.787 5.889 1.00 0.00 H new ATOM 828 N GLY A 52 4.848 -10.193 2.967 1.00 0.00 N ATOM 829 CA GLY A 52 5.531 -11.409 2.573 1.00 0.00 C ATOM 830 C GLY A 52 5.229 -11.829 1.146 1.00 0.00 C ATOM 831 O GLY A 52 5.626 -12.911 0.708 1.00 0.00 O ATOM 0 H GLY A 52 5.371 -9.332 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.606 -11.266 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.245 -12.214 3.250 1.00 0.00 H new ATOM 835 N LEU A 53 4.514 -10.997 0.411 1.00 0.00 N ATOM 836 CA LEU A 53 4.191 -11.302 -0.978 1.00 0.00 C ATOM 837 C LEU A 53 5.232 -10.718 -1.918 1.00 0.00 C ATOM 838 O LEU A 53 6.086 -9.932 -1.514 1.00 0.00 O ATOM 839 CB LEU A 53 2.794 -10.783 -1.363 1.00 0.00 C ATOM 840 CG LEU A 53 1.582 -11.521 -0.764 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.702 -13.026 -0.961 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.399 -11.175 0.701 1.00 0.00 C ATOM 0 H LEU A 53 4.145 -10.107 0.747 1.00 0.00 H new ATOM 0 HA LEU A 53 4.192 -12.388 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.730 -9.735 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.708 -10.817 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 53 0.693 -11.186 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.832 -13.520 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.754 -13.250 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.606 -13.386 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.536 -11.711 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.291 -11.463 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.238 -10.102 0.804 1.00 0.00 H new ATOM 854 N SER A 54 5.162 -11.098 -3.175 1.00 0.00 N ATOM 855 CA SER A 54 6.080 -10.603 -4.164 1.00 0.00 C ATOM 856 C SER A 54 5.326 -9.893 -5.275 1.00 0.00 C ATOM 857 O SER A 54 4.161 -10.188 -5.525 1.00 0.00 O ATOM 858 CB SER A 54 6.887 -11.754 -4.729 1.00 0.00 C ATOM 859 OG SER A 54 7.739 -12.310 -3.746 1.00 0.00 O ATOM 0 H SER A 54 4.469 -11.755 -3.534 1.00 0.00 H new ATOM 0 HA SER A 54 6.757 -9.888 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.214 -12.523 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.481 -11.406 -5.574 1.00 0.00 H new ATOM 0 HG SER A 54 8.247 -13.052 -4.135 1.00 0.00 H new ATOM 865 N MET A 55 5.993 -8.963 -5.951 1.00 0.00 N ATOM 866 CA MET A 55 5.376 -8.212 -7.046 1.00 0.00 C ATOM 867 C MET A 55 4.959 -9.129 -8.190 1.00 0.00 C ATOM 868 O MET A 55 4.035 -8.839 -8.932 1.00 0.00 O ATOM 869 CB MET A 55 6.322 -7.126 -7.560 1.00 0.00 C ATOM 870 CG MET A 55 6.277 -5.868 -6.735 1.00 0.00 C ATOM 871 SD MET A 55 4.659 -5.090 -6.795 1.00 0.00 S ATOM 872 CE MET A 55 4.796 -3.958 -5.438 1.00 0.00 C ATOM 0 H MET A 55 6.963 -8.709 -5.762 1.00 0.00 H new ATOM 0 HA MET A 55 4.478 -7.738 -6.649 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.341 -7.513 -7.567 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.065 -6.887 -8.592 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.530 -6.102 -5.701 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.031 -5.169 -7.097 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.807 -3.770 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.439 -4.387 -4.670 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.226 -3.020 -5.789 1.00 0.00 H new ATOM 882 N ARG A 56 5.661 -10.237 -8.336 1.00 0.00 N ATOM 883 CA ARG A 56 5.341 -11.213 -9.370 1.00 0.00 C ATOM 884 C ARG A 56 4.260 -12.175 -8.891 1.00 0.00 C ATOM 885 O ARG A 56 3.663 -12.911 -9.675 1.00 0.00 O ATOM 886 CB ARG A 56 6.592 -11.991 -9.833 1.00 0.00 C ATOM 887 CG ARG A 56 7.404 -12.658 -8.722 1.00 0.00 C ATOM 888 CD ARG A 56 8.490 -11.735 -8.176 1.00 0.00 C ATOM 889 NE ARG A 56 9.395 -11.257 -9.220 1.00 0.00 N ATOM 890 CZ ARG A 56 10.500 -10.536 -8.988 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.861 -10.250 -7.739 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.244 -10.111 -10.004 1.00 0.00 N ATOM 0 H ARG A 56 6.459 -10.487 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 56 4.961 -10.661 -10.229 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.279 -12.759 -10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.244 -11.306 -10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.737 -12.952 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.862 -13.570 -9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.023 -10.881 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.064 -12.265 -7.416 1.00 0.00 H new ATOM 0 HE ARG A 56 9.170 -11.487 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.296 -10.580 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.703 -9.701 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.974 -10.334 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.085 -9.562 -9.826 1.00 0.00 H new ATOM 906 N GLN A 57 4.029 -12.175 -7.592 1.00 0.00 N ATOM 907 CA GLN A 57 3.036 -13.041 -6.976 1.00 0.00 C ATOM 908 C GLN A 57 1.676 -12.372 -6.910 1.00 0.00 C ATOM 909 O GLN A 57 0.648 -13.027 -6.990 1.00 0.00 O ATOM 910 CB GLN A 57 3.488 -13.448 -5.570 1.00 0.00 C ATOM 911 CG GLN A 57 4.220 -14.778 -5.519 1.00 0.00 C ATOM 912 CD GLN A 57 5.465 -14.803 -6.375 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.555 -14.514 -5.911 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.305 -15.118 -7.641 1.00 0.00 N ATOM 0 H GLN A 57 4.524 -11.575 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 57 2.942 -13.932 -7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.139 -12.671 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.615 -13.500 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.492 -14.997 -4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.546 -15.570 -5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.378 -15.354 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.108 -15.126 -8.270 1.00 0.00 H new ATOM 923 N ILE A 58 1.668 -11.070 -6.770 1.00 0.00 N ATOM 924 CA ILE A 58 0.419 -10.341 -6.648 1.00 0.00 C ATOM 925 C ILE A 58 0.348 -9.189 -7.622 1.00 0.00 C ATOM 926 O ILE A 58 1.294 -8.908 -8.343 1.00 0.00 O ATOM 927 CB ILE A 58 0.202 -9.810 -5.215 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.185 -8.678 -4.912 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.359 -10.938 -4.210 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.126 -8.185 -3.486 1.00 0.00 C ATOM 0 H ILE A 58 2.506 -10.490 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.373 -11.052 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.811 -9.414 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.197 -9.021 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.982 -7.844 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.204 -10.552 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.376 -11.715 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.362 -11.357 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.851 -7.383 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.125 -7.810 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.359 -9.006 -2.807 1.00 0.00 H new ATOM 942 N ARG A 59 -0.785 -8.522 -7.639 1.00 0.00 N ATOM 943 CA ARG A 59 -0.995 -7.383 -8.513 1.00 0.00 C ATOM 944 C ARG A 59 -1.931 -6.373 -7.886 1.00 0.00 C ATOM 945 O ARG A 59 -2.935 -6.735 -7.264 1.00 0.00 O ATOM 946 CB ARG A 59 -1.524 -7.814 -9.884 1.00 0.00 C ATOM 947 CG ARG A 59 -0.440 -8.242 -10.862 1.00 0.00 C ATOM 948 CD ARG A 59 0.530 -7.103 -11.140 1.00 0.00 C ATOM 949 NE ARG A 59 1.548 -7.477 -12.123 1.00 0.00 N ATOM 950 CZ ARG A 59 2.505 -6.659 -12.571 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.578 -5.404 -12.134 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.386 -7.099 -13.454 1.00 0.00 N ATOM 0 H ARG A 59 -1.586 -8.751 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.024 -6.910 -8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.223 -8.640 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.087 -6.989 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.103 -9.095 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.897 -8.570 -11.795 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.023 -6.236 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.016 -6.805 -10.211 1.00 0.00 H new ATOM 0 HE ARG A 59 1.525 -8.428 -12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.901 -5.061 -11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.311 -4.785 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.334 -8.060 -13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.118 -6.477 -13.798 1.00 0.00 H new ATOM 966 N PHE A 60 -1.592 -5.104 -8.047 1.00 0.00 N ATOM 967 CA PHE A 60 -2.378 -4.002 -7.523 1.00 0.00 C ATOM 968 C PHE A 60 -3.297 -3.447 -8.604 1.00 0.00 C ATOM 969 O PHE A 60 -2.905 -3.313 -9.768 1.00 0.00 O ATOM 970 CB PHE A 60 -1.452 -2.898 -6.992 1.00 0.00 C ATOM 971 CG PHE A 60 -0.633 -3.315 -5.801 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.449 -4.167 -5.949 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.948 -2.859 -4.532 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.197 -4.556 -4.860 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.203 -3.244 -3.437 1.00 0.00 C ATOM 976 CZ PHE A 60 0.871 -4.093 -3.601 1.00 0.00 C ATOM 0 H PHE A 60 -0.755 -4.809 -8.550 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.992 -4.370 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.781 -2.584 -7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.054 -2.030 -6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.710 -4.531 -6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.788 -2.193 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.037 -5.222 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.460 -2.881 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.457 -4.395 -2.745 1.00 0.00 H new ATOM 986 N ARG A 61 -4.513 -3.119 -8.225 1.00 0.00 N ATOM 987 CA ARG A 61 -5.514 -2.644 -9.159 1.00 0.00 C ATOM 988 C ARG A 61 -6.359 -1.535 -8.540 1.00 0.00 C ATOM 989 O ARG A 61 -6.749 -1.609 -7.371 1.00 0.00 O ATOM 990 CB ARG A 61 -6.383 -3.846 -9.609 1.00 0.00 C ATOM 991 CG ARG A 61 -7.690 -3.520 -10.341 1.00 0.00 C ATOM 992 CD ARG A 61 -8.842 -3.284 -9.366 1.00 0.00 C ATOM 993 NE ARG A 61 -10.147 -3.468 -9.994 1.00 0.00 N ATOM 994 CZ ARG A 61 -11.296 -2.962 -9.526 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.311 -2.240 -8.408 1.00 0.00 N ATOM 996 NH2 ARG A 61 -12.428 -3.203 -10.168 1.00 0.00 N ATOM 0 H ARG A 61 -4.837 -3.174 -7.259 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.027 -2.211 -10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.778 -4.478 -10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.627 -4.438 -8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.549 -2.633 -10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.945 -4.340 -11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.747 -3.969 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.774 -2.273 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.187 -4.021 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.443 -2.068 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.190 -1.859 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.423 -3.772 -11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.305 -2.820 -9.816 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.628 -0.505 -9.323 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.457 0.608 -8.893 1.00 0.00 C ATOM 1012 C PHE A 62 -8.289 1.078 -10.066 1.00 0.00 C ATOM 1013 O PHE A 62 -7.834 1.053 -11.191 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.601 1.761 -8.356 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.401 2.901 -7.781 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.819 2.867 -6.466 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.728 4.004 -8.556 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.547 3.910 -5.931 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.458 5.048 -8.027 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.868 5.003 -6.714 1.00 0.00 C ATOM 0 H PHE A 62 -6.277 -0.416 -10.277 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.107 0.275 -8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.932 1.376 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.974 2.141 -9.163 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.574 2.015 -5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.407 4.046 -9.586 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.866 3.872 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.708 5.900 -8.642 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.439 5.819 -6.297 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.510 1.514 -9.794 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.459 1.960 -10.848 1.00 0.00 C ATOM 1032 C ASP A 63 -10.637 0.879 -11.913 1.00 0.00 C ATOM 1033 O ASP A 63 -11.017 1.146 -13.055 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.931 3.229 -11.510 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.993 3.982 -12.295 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.044 4.322 -11.710 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.777 4.245 -13.499 1.00 0.00 O ATOM 0 H ASP A 63 -9.886 1.575 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.423 2.155 -10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.520 3.887 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.111 2.968 -12.179 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.377 -0.344 -11.536 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.481 -1.439 -12.456 1.00 0.00 C ATOM 1044 C GLY A 64 -9.219 -1.643 -13.283 1.00 0.00 C ATOM 1045 O GLY A 64 -9.004 -2.711 -13.855 1.00 0.00 O ATOM 0 H GLY A 64 -10.090 -0.606 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.697 -2.352 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.323 -1.265 -13.126 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.378 -0.629 -13.335 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.145 -0.692 -14.101 1.00 0.00 C ATOM 1051 C GLN A 65 -5.959 -1.082 -13.207 1.00 0.00 C ATOM 1052 O GLN A 65 -5.958 -0.802 -12.005 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.895 0.651 -14.812 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.935 1.863 -13.896 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.898 3.175 -14.655 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.308 4.184 -14.051 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -7.392 3.274 -15.777 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.527 0.257 -12.852 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.246 -1.467 -14.860 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.922 0.613 -15.302 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.642 0.778 -15.596 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.840 1.825 -13.290 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.089 1.822 -13.209 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.841 2.467 -16.210 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.353 4.163 -16.275 1.00 0.00 H new ATOM 1066 N PRO A 66 -4.951 -1.762 -13.773 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.771 -2.193 -13.020 1.00 0.00 C ATOM 1068 C PRO A 66 -2.866 -1.016 -12.664 1.00 0.00 C ATOM 1069 O PRO A 66 -2.691 -0.084 -13.455 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.060 -3.144 -13.986 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.480 -2.691 -15.342 1.00 0.00 C ATOM 1072 CD PRO A 66 -4.880 -2.161 -15.193 1.00 0.00 C ATOM 0 HA PRO A 66 -4.033 -2.656 -12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.978 -3.091 -13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.350 -4.179 -13.807 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.810 -1.919 -15.719 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.450 -3.515 -16.054 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.061 -1.315 -15.857 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.624 -2.920 -15.434 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.293 -1.049 -11.476 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.417 0.023 -11.033 1.00 0.00 C ATOM 1082 C ILE A 67 0.033 -0.326 -11.333 1.00 0.00 C ATOM 1083 O ILE A 67 0.422 -1.498 -11.313 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.567 0.296 -9.517 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.040 0.398 -9.128 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.833 1.579 -9.135 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.254 0.603 -7.645 1.00 0.00 C ATOM 0 H ILE A 67 -2.417 -1.803 -10.801 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.706 0.923 -11.577 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.125 -0.539 -8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.496 1.226 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.555 -0.511 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.947 1.759 -8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.225 1.478 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.253 2.418 -9.691 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.322 0.667 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.827 -0.237 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.767 1.526 -7.331 1.00 0.00 H new ATOM 1099 N ASN A 68 0.840 0.685 -11.610 1.00 0.00 N ATOM 1100 CA ASN A 68 2.244 0.484 -11.907 1.00 0.00 C ATOM 1101 C ASN A 68 3.054 1.403 -11.045 1.00 0.00 C ATOM 1102 O ASN A 68 2.523 2.341 -10.458 1.00 0.00 O ATOM 1103 CB ASN A 68 2.559 0.798 -13.372 1.00 0.00 C ATOM 1104 CG ASN A 68 1.408 0.553 -14.297 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.209 -0.559 -14.784 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.662 1.599 -14.578 1.00 0.00 N ATOM 0 H ASN A 68 0.541 1.660 -11.635 1.00 0.00 H new ATOM 0 HA ASN A 68 2.487 -0.561 -11.714 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.865 1.841 -13.454 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.407 0.191 -13.691 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.121 1.508 -15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.866 2.501 -14.149 1.00 0.00 H new ATOM 1113 N GLU A 69 4.345 1.175 -10.981 1.00 0.00 N ATOM 1114 CA GLU A 69 5.211 2.029 -10.196 1.00 0.00 C ATOM 1115 C GLU A 69 5.439 3.355 -10.908 1.00 0.00 C ATOM 1116 O GLU A 69 5.946 4.312 -10.329 1.00 0.00 O ATOM 1117 CB GLU A 69 6.544 1.341 -9.934 1.00 0.00 C ATOM 1118 CG GLU A 69 7.282 0.936 -11.192 1.00 0.00 C ATOM 1119 CD GLU A 69 8.605 0.287 -10.892 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.558 1.013 -10.536 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.700 -0.953 -11.005 1.00 0.00 O ATOM 0 H GLU A 69 4.819 0.409 -11.460 1.00 0.00 H new ATOM 0 HA GLU A 69 4.724 2.224 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.178 2.009 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.371 0.454 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.664 0.247 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.444 1.816 -11.815 1.00 0.00 H new ATOM 1128 N THR A 70 5.056 3.409 -12.170 1.00 0.00 N ATOM 1129 CA THR A 70 5.242 4.590 -12.974 1.00 0.00 C ATOM 1130 C THR A 70 4.020 5.500 -12.907 1.00 0.00 C ATOM 1131 O THR A 70 3.996 6.584 -13.498 1.00 0.00 O ATOM 1132 CB THR A 70 5.576 4.216 -14.436 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.621 5.380 -15.266 1.00 0.00 O ATOM 1134 CG2 THR A 70 4.565 3.240 -14.971 1.00 0.00 C ATOM 0 H THR A 70 4.609 2.634 -12.660 1.00 0.00 H new ATOM 0 HA THR A 70 6.089 5.141 -12.566 1.00 0.00 H new ATOM 0 HB THR A 70 6.561 3.749 -14.447 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.281 6.152 -14.766 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.814 2.986 -16.001 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.575 2.336 -14.362 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.572 3.689 -14.938 1.00 0.00 H new ATOM 1142 N ASP A 71 3.007 5.070 -12.174 1.00 0.00 N ATOM 1143 CA ASP A 71 1.813 5.866 -11.999 1.00 0.00 C ATOM 1144 C ASP A 71 1.784 6.513 -10.617 1.00 0.00 C ATOM 1145 O ASP A 71 2.295 5.953 -9.645 1.00 0.00 O ATOM 1146 CB ASP A 71 0.574 5.010 -12.226 1.00 0.00 C ATOM 1147 CG ASP A 71 0.195 4.948 -13.686 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.862 4.215 -14.438 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.754 5.639 -14.092 1.00 0.00 O ATOM 0 H ASP A 71 2.992 4.172 -11.691 1.00 0.00 H new ATOM 0 HA ASP A 71 1.821 6.667 -12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.756 4.002 -11.855 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.258 5.416 -11.651 1.00 0.00 H new ATOM 1154 N THR A 72 1.208 7.701 -10.535 1.00 0.00 N ATOM 1155 CA THR A 72 1.102 8.426 -9.278 1.00 0.00 C ATOM 1156 C THR A 72 -0.348 8.458 -8.801 1.00 0.00 C ATOM 1157 O THR A 72 -1.270 8.387 -9.611 1.00 0.00 O ATOM 1158 CB THR A 72 1.631 9.868 -9.424 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.598 10.268 -10.802 1.00 0.00 O ATOM 1160 CG2 THR A 72 3.047 9.984 -8.889 1.00 0.00 C ATOM 0 H THR A 72 0.802 8.189 -11.334 1.00 0.00 H new ATOM 0 HA THR A 72 1.712 7.904 -8.540 1.00 0.00 H new ATOM 0 HB THR A 72 0.987 10.526 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.934 11.185 -10.885 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.396 11.010 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.061 9.712 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.702 9.313 -9.445 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.574 8.582 -7.477 1.00 0.00 N ATOM 1169 CA PRO A 73 -1.928 8.578 -6.897 1.00 0.00 C ATOM 1170 C PRO A 73 -2.796 9.726 -7.423 1.00 0.00 C ATOM 1171 O PRO A 73 -4.017 9.597 -7.558 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.679 8.740 -5.388 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.297 9.290 -5.277 1.00 0.00 C ATOM 1174 CD PRO A 73 0.463 8.746 -6.443 1.00 0.00 C ATOM 0 HA PRO A 73 -2.473 7.670 -7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.408 9.414 -4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.766 7.785 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.309 10.380 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.166 8.991 -4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.248 9.430 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.945 7.798 -6.202 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.164 10.842 -7.741 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.875 12.013 -8.232 1.00 0.00 C ATOM 1184 C ALA A 74 -3.409 11.800 -9.640 1.00 0.00 C ATOM 1185 O ALA A 74 -4.336 12.483 -10.072 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.968 13.219 -8.201 1.00 0.00 C ATOM 0 H ALA A 74 -1.154 10.964 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.729 12.181 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.509 14.090 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.641 13.402 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.099 13.037 -8.833 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.834 10.850 -10.353 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.241 10.570 -11.718 1.00 0.00 C ATOM 1194 C GLN A 75 -4.652 10.001 -11.764 1.00 0.00 C ATOM 1195 O GLN A 75 -5.434 10.313 -12.658 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.273 9.591 -12.361 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.898 10.166 -12.655 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.945 11.348 -13.601 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.892 11.185 -14.819 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.025 12.540 -13.051 1.00 0.00 N ATOM 0 H GLN A 75 -2.080 10.256 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.230 11.509 -12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.159 8.728 -11.705 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.708 9.228 -13.292 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.431 10.474 -11.720 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.268 9.387 -13.085 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.067 12.632 -12.036 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.045 13.373 -13.639 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.983 9.178 -10.785 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.282 8.539 -10.741 1.00 0.00 C ATOM 1211 C LEU A 76 -7.246 9.346 -9.883 1.00 0.00 C ATOM 1212 O LEU A 76 -8.330 8.873 -9.549 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.158 7.108 -10.191 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.899 6.335 -10.607 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.801 6.500 -9.569 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.212 4.868 -10.814 1.00 0.00 C ATOM 0 H LEU A 76 -4.367 8.937 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.674 8.492 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.189 7.154 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.032 6.540 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.547 6.748 -11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.917 5.944 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.550 7.556 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.148 6.118 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.305 4.340 -11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.594 4.443 -9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.963 4.763 -11.597 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.827 10.584 -9.527 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.615 11.521 -8.688 1.00 0.00 C ATOM 1230 C GLU A 77 -8.259 10.821 -7.487 1.00 0.00 C ATOM 1231 O GLU A 77 -9.372 11.156 -7.066 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.668 12.288 -9.521 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.739 11.422 -10.164 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.764 12.233 -10.902 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.548 12.526 -12.096 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -11.804 12.586 -10.296 1.00 0.00 O ATOM 0 H GLU A 77 -5.926 10.964 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.910 12.253 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.154 13.021 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.153 12.844 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.269 10.721 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.234 10.830 -9.394 1.00 0.00 H new ATOM 1243 N MET A 78 -7.538 9.871 -6.919 1.00 0.00 N ATOM 1244 CA MET A 78 -8.029 9.100 -5.797 1.00 0.00 C ATOM 1245 C MET A 78 -8.030 9.936 -4.521 1.00 0.00 C ATOM 1246 O MET A 78 -7.313 10.940 -4.410 1.00 0.00 O ATOM 1247 CB MET A 78 -7.184 7.837 -5.626 1.00 0.00 C ATOM 1248 CG MET A 78 -5.749 8.103 -5.211 1.00 0.00 C ATOM 1249 SD MET A 78 -4.595 6.857 -5.837 1.00 0.00 S ATOM 1250 CE MET A 78 -5.375 5.347 -5.300 1.00 0.00 C ATOM 0 H MET A 78 -6.599 9.615 -7.223 1.00 0.00 H new ATOM 0 HA MET A 78 -9.059 8.805 -5.997 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.654 7.197 -4.880 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.183 7.284 -6.565 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.447 9.086 -5.573 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.690 8.132 -4.123 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.626 4.684 -4.868 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.133 5.576 -4.551 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.844 4.857 -6.153 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.831 9.533 -3.559 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.952 10.266 -2.316 1.00 0.00 C ATOM 1262 C GLU A 79 -8.314 9.496 -1.182 1.00 0.00 C ATOM 1263 O GLU A 79 -8.001 8.311 -1.318 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.421 10.518 -1.990 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.173 9.264 -1.583 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.648 9.506 -1.404 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.374 9.531 -2.415 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.093 9.675 -0.250 1.00 0.00 O ATOM 0 H GLU A 79 -9.412 8.696 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.439 11.220 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.486 11.249 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.908 10.958 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.024 8.494 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.756 8.881 -0.652 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.090 10.166 -0.071 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.569 9.523 1.112 1.00 0.00 C ATOM 1277 C ASP A 80 -8.517 8.446 1.615 1.00 0.00 C ATOM 1278 O ASP A 80 -9.741 8.581 1.537 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.294 10.548 2.220 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.541 11.256 2.709 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.141 12.026 1.927 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -8.908 11.076 3.884 1.00 0.00 O ATOM 0 H ASP A 80 -8.263 11.166 0.035 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.626 9.049 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.818 10.044 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.586 11.290 1.851 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.927 7.365 2.101 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.634 6.222 2.656 1.00 0.00 C ATOM 1289 C GLU A 81 -9.310 5.397 1.571 1.00 0.00 C ATOM 1290 O GLU A 81 -10.193 4.583 1.853 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.627 6.648 3.738 1.00 0.00 C ATOM 1292 CG GLU A 81 -8.968 7.328 4.924 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.935 7.604 6.043 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.359 6.646 6.713 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.277 8.781 6.264 1.00 0.00 O ATOM 0 H GLU A 81 -6.913 7.256 2.121 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.890 5.582 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.361 7.325 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.171 5.771 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.159 6.699 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.519 8.266 4.597 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.892 5.589 0.323 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.439 4.791 -0.779 1.00 0.00 C ATOM 1304 C ASP A 82 -8.833 3.393 -0.730 1.00 0.00 C ATOM 1305 O ASP A 82 -7.793 3.184 -0.095 1.00 0.00 O ATOM 1306 CB ASP A 82 -9.176 5.448 -2.140 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.270 5.132 -3.154 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.514 3.934 -3.432 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.897 6.087 -3.677 1.00 0.00 O ATOM 0 H ASP A 82 -8.190 6.276 0.048 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.521 4.727 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.103 6.528 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.216 5.107 -2.526 1.00 0.00 H new ATOM 1314 N THR A 83 -9.456 2.434 -1.385 1.00 0.00 N ATOM 1315 CA THR A 83 -9.009 1.056 -1.292 1.00 0.00 C ATOM 1316 C THR A 83 -8.375 0.538 -2.593 1.00 0.00 C ATOM 1317 O THR A 83 -8.916 0.706 -3.688 1.00 0.00 O ATOM 1318 CB THR A 83 -10.171 0.132 -0.893 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.918 0.733 0.184 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.648 -1.223 -0.442 1.00 0.00 C ATOM 0 H THR A 83 -10.268 2.580 -1.984 1.00 0.00 H new ATOM 0 HA THR A 83 -8.238 1.043 -0.522 1.00 0.00 H new ATOM 0 HB THR A 83 -10.815 -0.009 -1.761 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.659 0.144 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.486 -1.862 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.092 -1.688 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.991 -1.092 0.418 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.212 -0.086 -2.451 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.509 -0.714 -3.551 1.00 0.00 C ATOM 1330 C ILE A 84 -6.820 -2.200 -3.544 1.00 0.00 C ATOM 1331 O ILE A 84 -6.776 -2.841 -2.498 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.973 -0.552 -3.402 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.574 0.922 -3.256 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.243 -1.200 -4.567 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.949 1.780 -4.433 1.00 0.00 C ATOM 0 H ILE A 84 -6.729 -0.168 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.832 -0.239 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.676 -1.065 -2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.044 1.327 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.496 0.982 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.168 -1.073 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.481 -2.263 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.556 -0.730 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.632 2.807 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.457 1.403 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.030 1.753 -4.573 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.132 -2.759 -4.688 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.431 -4.178 -4.763 1.00 0.00 C ATOM 1349 C ASP A 85 -6.219 -4.963 -5.205 1.00 0.00 C ATOM 1350 O ASP A 85 -5.619 -4.675 -6.238 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.588 -4.453 -5.717 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.926 -3.996 -5.185 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.349 -4.489 -4.112 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.579 -3.178 -5.860 1.00 0.00 O ATOM 0 H ASP A 85 -7.187 -2.262 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.719 -4.498 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.393 -3.954 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.633 -5.522 -5.923 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.837 -5.937 -4.414 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.724 -6.804 -4.748 1.00 0.00 C ATOM 1361 C VAL A 86 -5.207 -8.232 -4.943 1.00 0.00 C ATOM 1362 O VAL A 86 -6.037 -8.730 -4.182 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.634 -6.773 -3.652 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.528 -7.773 -3.950 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.059 -5.385 -3.531 1.00 0.00 C ATOM 0 H VAL A 86 -6.285 -6.153 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.288 -6.436 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.097 -7.052 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.776 -7.729 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.948 -8.778 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.066 -7.530 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.292 -5.375 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.617 -5.090 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.851 -4.685 -3.266 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.673 -8.897 -5.945 1.00 0.00 N ATOM 1376 CA PHE A 87 -5.049 -10.267 -6.246 1.00 0.00 C ATOM 1377 C PHE A 87 -3.806 -11.093 -6.514 1.00 0.00 C ATOM 1378 O PHE A 87 -2.762 -10.550 -6.880 1.00 0.00 O ATOM 1379 CB PHE A 87 -6.035 -10.331 -7.420 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.694 -9.429 -8.572 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.134 -8.118 -8.588 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.945 -9.891 -9.636 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.834 -7.286 -9.640 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.642 -9.060 -10.697 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.087 -7.755 -10.699 1.00 0.00 C ATOM 0 H PHE A 87 -3.969 -8.508 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.562 -10.687 -5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.083 -11.358 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.030 -10.074 -7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.721 -7.743 -7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.593 -10.912 -9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.184 -6.264 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.057 -9.432 -11.525 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.851 -7.103 -11.527 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.897 -12.400 -6.321 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.741 -13.269 -6.462 1.00 0.00 C ATOM 1397 C GLN A 88 -2.581 -13.760 -7.904 1.00 0.00 C ATOM 1398 O GLN A 88 -3.432 -14.468 -8.441 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.866 -14.466 -5.515 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.543 -15.152 -5.193 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.665 -14.361 -4.227 1.00 0.00 C ATOM 1402 OE1 GLN A 88 0.557 -14.440 -4.280 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -1.280 -13.601 -3.335 1.00 0.00 N ATOM 0 H GLN A 88 -4.760 -12.881 -6.066 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.854 -12.691 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.324 -14.132 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.542 -15.197 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.747 -16.134 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.993 -15.316 -6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.299 -13.558 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.735 -13.059 -2.665 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.486 -13.372 -8.521 1.00 0.00 N ATOM 1413 CA GLN A 89 -1.159 -13.781 -9.877 1.00 0.00 C ATOM 1414 C GLN A 89 -0.062 -14.843 -9.866 1.00 0.00 C ATOM 1415 O GLN A 89 0.650 -15.040 -10.853 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.714 -12.568 -10.701 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.858 -11.661 -11.125 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.818 -12.355 -12.078 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.426 -13.233 -12.842 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -4.074 -11.968 -12.043 1.00 0.00 N ATOM 0 H GLN A 89 -0.790 -12.759 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.050 -14.210 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.001 -11.987 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.191 -12.917 -11.591 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.403 -11.329 -10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.454 -10.769 -11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.364 -11.235 -11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.758 -12.400 -12.664 1.00 0.00 H new ATOM 1429 N GLN A 90 0.056 -15.549 -8.751 1.00 0.00 N ATOM 1430 CA GLN A 90 1.067 -16.582 -8.601 1.00 0.00 C ATOM 1431 C GLN A 90 0.627 -17.868 -9.291 1.00 0.00 C ATOM 1432 O GLN A 90 0.045 -18.763 -8.673 1.00 0.00 O ATOM 1433 CB GLN A 90 1.358 -16.840 -7.119 1.00 0.00 C ATOM 1434 CG GLN A 90 2.525 -17.787 -6.866 1.00 0.00 C ATOM 1435 CD GLN A 90 2.768 -18.022 -5.388 1.00 0.00 C ATOM 1436 OE1 GLN A 90 1.842 -17.997 -4.585 1.00 0.00 O ATOM 1437 NE2 GLN A 90 4.013 -18.245 -5.024 1.00 0.00 N ATOM 0 H GLN A 90 -0.540 -15.423 -7.933 1.00 0.00 H new ATOM 0 HA GLN A 90 1.984 -16.234 -9.076 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.565 -15.888 -6.630 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.463 -17.251 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.328 -18.741 -7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.427 -17.377 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.755 -18.258 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.236 -18.405 -4.042 1.00 0.00 H new ATOM 1446 N THR A 91 0.876 -17.947 -10.580 1.00 0.00 N ATOM 1447 CA THR A 91 0.524 -19.111 -11.354 1.00 0.00 C ATOM 1448 C THR A 91 1.748 -20.002 -11.554 1.00 0.00 C ATOM 1449 O THR A 91 2.488 -19.863 -12.532 1.00 0.00 O ATOM 1450 CB THR A 91 -0.053 -18.707 -12.727 1.00 0.00 C ATOM 1451 OG1 THR A 91 -1.065 -17.701 -12.546 1.00 0.00 O ATOM 1452 CG2 THR A 91 -0.657 -19.909 -13.433 1.00 0.00 C ATOM 0 H THR A 91 1.327 -17.207 -11.117 1.00 0.00 H new ATOM 0 HA THR A 91 -0.239 -19.663 -10.805 1.00 0.00 H new ATOM 0 HB THR A 91 0.757 -18.313 -13.341 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.430 -17.443 -13.418 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.058 -19.600 -14.399 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.112 -20.666 -13.584 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.460 -20.324 -12.823 1.00 0.00 H new ATOM 1460 N GLY A 92 1.995 -20.875 -10.602 1.00 0.00 N ATOM 1461 CA GLY A 92 3.118 -21.766 -10.690 1.00 0.00 C ATOM 1462 C GLY A 92 3.797 -21.909 -9.356 1.00 0.00 C ATOM 1463 O GLY A 92 3.142 -21.858 -8.317 1.00 0.00 O ATOM 0 H GLY A 92 1.430 -20.983 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.785 -22.743 -11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.829 -21.390 -11.426 1.00 0.00 H new ATOM 1467 N GLY A 93 5.098 -22.072 -9.359 1.00 0.00 N ATOM 1468 CA GLY A 93 5.813 -22.205 -8.115 1.00 0.00 C ATOM 1469 C GLY A 93 7.072 -23.014 -8.266 1.00 0.00 C ATOM 1470 O GLY A 93 7.689 -22.968 -9.352 1.00 0.00 O ATOM 1471 OXT GLY A 93 7.457 -23.703 -7.300 1.00 0.00 O ATOM 0 H GLY A 93 5.676 -22.115 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.063 -21.215 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.167 -22.677 -7.375 1.00 0.00 H new TER 1475 GLY A 93