USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= -0.943 K(o=-2.3,f=-7.2!) USER MOD Set 1.2: A 94 GLN : amide:sc= -1.38 K(o=-2.3,f=-7.2) USER MOD Set 2.1: A 93 LYS NZ :NH3+ 138:sc= 0.863 (180deg=-0.231) USER MOD Set 2.2: A 95 ASN : amide:sc= 0.15 K(o=1,f=-8.1!) USER MOD Set 3.1: A 57 THR OG1 : rot -70:sc= 0.43 USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0.367 USER MOD Set 4.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 88 LYS NZ :NH3+ -146:sc= 1.8 (180deg=-0.143) USER MOD Set 5.1: A 37 GLN : amide:sc= -0.664 K(o=-0.19,f=-4.2!) USER MOD Set 5.2: A 87 SER OG : rot 154:sc= 0.477 USER MOD Set 6.1: A 17 TYR OH : rot -154:sc= 1.23 USER MOD Set 6.2: A 29 HIS : no HD1:sc= 0.506 K(o=1.7,f=-4!) USER MOD Set 7.1: A 16 HIS : no HE2:sc= 0.461 K(o=1.8,f=-5) USER MOD Set 7.2: A 99 THR OG1 : rot -45:sc= 1.37 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0501 (180deg=-0.353) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0136 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.347 K(o=0.35,f=-1.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00467 USER MOD Single : A 13 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 19 TYR OH : rot 151:sc= -0.227 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -1.33 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0216 (180deg=-0.141) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.131 F(o=-1.3,f=-0.13) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0.673 (180deg=0.107) USER MOD Single : A 55 SER OG : rot 36:sc= 0.107 USER MOD Single : A 58 GLN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 59 THR OG1 : rot -121:sc= 0.144 USER MOD Single : A 65 SER OG : rot -170:sc= -0.286 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00184 USER MOD Single : A 75 LYS NZ :NH3+ -108:sc= 0.464 (180deg=0.238) USER MOD Single : A 77 MET CE :methyl -163:sc= 0 (180deg=-0.308) USER MOD Single : A 102 TYR OH : rot 158:sc= -1.13 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0808 K(o=-0.081,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.860 -29.651 -0.094 1.00 0.00 N ATOM 2 CA MET A 1 19.442 -29.579 0.319 1.00 0.00 C ATOM 3 C MET A 1 19.041 -28.114 0.548 1.00 0.00 C ATOM 4 O MET A 1 19.815 -27.329 1.113 1.00 0.00 O ATOM 5 CB MET A 1 19.197 -30.427 1.592 1.00 0.00 C ATOM 6 CG MET A 1 17.719 -30.544 2.013 1.00 0.00 C ATOM 7 SD MET A 1 16.697 -31.329 0.747 1.00 0.00 S ATOM 8 CE MET A 1 17.400 -32.986 0.673 1.00 0.00 C ATOM 0 H1 MET A 1 21.298 -30.501 0.315 1.00 0.00 H new ATOM 0 H2 MET A 1 20.918 -29.697 -1.131 1.00 0.00 H new ATOM 0 H3 MET A 1 21.363 -28.806 0.243 1.00 0.00 H new ATOM 0 HA MET A 1 18.821 -29.990 -0.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.594 -31.429 1.427 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.762 -29.992 2.416 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.652 -31.119 2.937 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.326 -29.550 2.227 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.724 -33.644 0.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.362 -32.951 0.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.540 -33.367 1.684 1.00 0.00 H new ATOM 20 N ILE A 2 17.830 -27.770 0.099 1.00 0.00 N ATOM 21 CA ILE A 2 17.271 -26.406 0.146 1.00 0.00 C ATOM 22 C ILE A 2 15.955 -26.423 0.960 1.00 0.00 C ATOM 23 O ILE A 2 15.290 -27.466 1.040 1.00 0.00 O ATOM 24 CB ILE A 2 16.986 -25.886 -1.328 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.271 -25.959 -2.230 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.401 -24.454 -1.336 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.412 -25.018 -1.842 1.00 0.00 C ATOM 0 H ILE A 2 17.191 -28.446 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 2 17.987 -25.737 0.623 1.00 0.00 H new ATOM 0 HB ILE A 2 16.236 -26.555 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 2 18.647 -26.982 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 2 17.982 -25.744 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.222 -24.140 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.461 -24.442 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.107 -23.770 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.246 -25.153 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.065 -23.986 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.740 -25.243 -0.827 1.00 0.00 H new ATOM 39 N GLU A 3 15.584 -25.275 1.565 1.00 0.00 N ATOM 40 CA GLU A 3 14.259 -25.072 2.184 1.00 0.00 C ATOM 41 C GLU A 3 13.609 -23.811 1.571 1.00 0.00 C ATOM 42 O GLU A 3 14.332 -22.874 1.206 1.00 0.00 O ATOM 43 CB GLU A 3 14.351 -24.941 3.735 1.00 0.00 C ATOM 44 CG GLU A 3 15.093 -23.696 4.257 1.00 0.00 C ATOM 45 CD GLU A 3 14.934 -23.463 5.771 1.00 0.00 C ATOM 46 OE1 GLU A 3 15.344 -24.333 6.564 1.00 0.00 O ATOM 47 OE2 GLU A 3 14.391 -22.414 6.181 1.00 0.00 O ATOM 0 H GLU A 3 16.196 -24.462 1.638 1.00 0.00 H new ATOM 0 HA GLU A 3 13.644 -25.948 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.340 -24.936 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.848 -25.828 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.153 -23.793 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.728 -22.818 3.724 1.00 0.00 H new ATOM 54 N PRO A 4 12.251 -23.764 1.409 1.00 0.00 N ATOM 55 CA PRO A 4 11.575 -22.535 0.948 1.00 0.00 C ATOM 56 C PRO A 4 11.419 -21.501 2.096 1.00 0.00 C ATOM 57 O PRO A 4 10.812 -21.785 3.137 1.00 0.00 O ATOM 58 CB PRO A 4 10.211 -23.068 0.441 1.00 0.00 C ATOM 59 CG PRO A 4 9.934 -24.288 1.273 1.00 0.00 C ATOM 60 CD PRO A 4 11.290 -24.895 1.607 1.00 0.00 C ATOM 0 HA PRO A 4 12.129 -21.994 0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.426 -22.321 0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.254 -23.316 -0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.392 -24.024 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.314 -24.999 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.319 -25.269 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.523 -25.736 0.954 1.00 0.00 H new ATOM 68 N ILE A 5 11.967 -20.295 1.883 1.00 0.00 N ATOM 69 CA ILE A 5 11.894 -19.166 2.844 1.00 0.00 C ATOM 70 C ILE A 5 11.129 -17.996 2.221 1.00 0.00 C ATOM 71 O ILE A 5 10.824 -18.023 1.020 1.00 0.00 O ATOM 72 CB ILE A 5 13.331 -18.691 3.304 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.224 -18.341 2.074 1.00 0.00 C ATOM 74 CG2 ILE A 5 14.007 -19.751 4.196 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.620 -17.848 2.402 1.00 0.00 C ATOM 0 H ILE A 5 12.480 -20.066 1.032 1.00 0.00 H new ATOM 0 HA ILE A 5 11.364 -19.518 3.729 1.00 0.00 H new ATOM 0 HB ILE A 5 13.209 -17.785 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.309 -19.227 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.717 -17.578 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.993 -19.398 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.397 -19.923 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.110 -20.683 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.157 -17.633 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.554 -16.941 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.155 -18.615 2.962 1.00 0.00 H new ATOM 87 N LYS A 6 10.796 -16.986 3.049 1.00 0.00 N ATOM 88 CA LYS A 6 10.105 -15.771 2.589 1.00 0.00 C ATOM 89 C LYS A 6 10.202 -14.645 3.626 1.00 0.00 C ATOM 90 O LYS A 6 10.197 -14.892 4.829 1.00 0.00 O ATOM 91 CB LYS A 6 8.598 -16.034 2.238 1.00 0.00 C ATOM 92 CG LYS A 6 7.622 -16.219 3.436 1.00 0.00 C ATOM 93 CD LYS A 6 7.876 -17.508 4.263 1.00 0.00 C ATOM 94 CE LYS A 6 7.654 -18.802 3.461 1.00 0.00 C ATOM 95 NZ LYS A 6 8.013 -20.017 4.248 1.00 0.00 N ATOM 0 H LYS A 6 10.998 -16.991 4.049 1.00 0.00 H new ATOM 0 HA LYS A 6 10.615 -15.462 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.240 -15.201 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.545 -16.927 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.704 -15.355 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.599 -16.237 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.899 -17.494 4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.217 -17.510 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.610 -18.864 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.252 -18.771 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.848 -20.866 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.016 -19.971 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.425 -20.062 5.105 1.00 0.00 H new ATOM 109 N ARG A 7 10.317 -13.417 3.124 1.00 0.00 N ATOM 110 CA ARG A 7 10.128 -12.183 3.898 1.00 0.00 C ATOM 111 C ARG A 7 8.734 -11.602 3.582 1.00 0.00 C ATOM 112 O ARG A 7 8.065 -12.061 2.650 1.00 0.00 O ATOM 113 CB ARG A 7 11.218 -11.161 3.517 1.00 0.00 C ATOM 114 CG ARG A 7 12.660 -11.523 3.918 1.00 0.00 C ATOM 115 CD ARG A 7 13.662 -10.455 3.441 1.00 0.00 C ATOM 116 NE ARG A 7 15.042 -10.727 3.886 1.00 0.00 N ATOM 117 CZ ARG A 7 16.146 -10.448 3.179 1.00 0.00 C ATOM 118 NH1 ARG A 7 16.065 -9.890 1.975 1.00 0.00 N ATOM 119 NH2 ARG A 7 17.336 -10.732 3.686 1.00 0.00 N ATOM 0 H ARG A 7 10.549 -13.244 2.146 1.00 0.00 H new ATOM 0 HA ARG A 7 10.202 -12.400 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.189 -11.016 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.965 -10.204 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.723 -11.625 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.926 -12.490 3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.640 -10.403 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.351 -9.479 3.813 1.00 0.00 H new ATOM 0 HE ARG A 7 15.165 -11.160 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.153 -9.668 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.915 -9.684 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.408 -11.160 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.180 -10.522 3.154 1.00 0.00 H new ATOM 133 N THR A 8 8.302 -10.589 4.353 1.00 0.00 N ATOM 134 CA THR A 8 7.025 -9.888 4.121 1.00 0.00 C ATOM 135 C THR A 8 7.159 -8.384 4.451 1.00 0.00 C ATOM 136 O THR A 8 7.445 -8.017 5.591 1.00 0.00 O ATOM 137 CB THR A 8 5.867 -10.520 4.969 1.00 0.00 C ATOM 138 OG1 THR A 8 5.717 -11.917 4.640 1.00 0.00 O ATOM 139 CG2 THR A 8 4.518 -9.800 4.750 1.00 0.00 C ATOM 0 H THR A 8 8.826 -10.233 5.153 1.00 0.00 H new ATOM 0 HA THR A 8 6.777 -9.998 3.065 1.00 0.00 H new ATOM 0 HB THR A 8 6.142 -10.406 6.018 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.993 -12.303 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.749 -10.275 5.359 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.613 -8.753 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.238 -9.863 3.698 1.00 0.00 H new ATOM 147 N GLN A 9 6.981 -7.535 3.425 1.00 0.00 N ATOM 148 CA GLN A 9 6.874 -6.076 3.575 1.00 0.00 C ATOM 149 C GLN A 9 5.458 -5.653 3.175 1.00 0.00 C ATOM 150 O GLN A 9 5.006 -5.986 2.078 1.00 0.00 O ATOM 151 CB GLN A 9 7.921 -5.348 2.684 1.00 0.00 C ATOM 152 CG GLN A 9 7.935 -3.813 2.821 1.00 0.00 C ATOM 153 CD GLN A 9 8.280 -3.360 4.246 1.00 0.00 C ATOM 154 OE1 GLN A 9 7.396 -3.203 5.085 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.559 -3.128 4.522 1.00 0.00 N ATOM 0 H GLN A 9 6.907 -7.848 2.457 1.00 0.00 H new ATOM 0 HA GLN A 9 7.072 -5.802 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.912 -5.729 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.730 -5.603 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.660 -3.395 2.123 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.959 -3.416 2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.269 -3.268 3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.830 -2.810 5.452 1.00 0.00 H new ATOM 164 N VAL A 10 4.754 -4.949 4.069 1.00 0.00 N ATOM 165 CA VAL A 10 3.409 -4.434 3.780 1.00 0.00 C ATOM 166 C VAL A 10 3.485 -2.924 3.527 1.00 0.00 C ATOM 167 O VAL A 10 4.193 -2.189 4.238 1.00 0.00 O ATOM 168 CB VAL A 10 2.374 -4.772 4.925 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.293 -6.306 5.136 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.684 -4.030 6.254 1.00 0.00 C ATOM 0 H VAL A 10 5.095 -4.722 5.003 1.00 0.00 H new ATOM 0 HA VAL A 10 3.041 -4.933 2.883 1.00 0.00 H new ATOM 0 HB VAL A 10 1.398 -4.410 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.577 -6.527 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.971 -6.784 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.275 -6.687 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.941 -4.301 7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.675 -4.314 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.654 -2.954 6.085 1.00 0.00 H new ATOM 180 N VAL A 11 2.803 -2.471 2.470 1.00 0.00 N ATOM 181 CA VAL A 11 2.688 -1.050 2.133 1.00 0.00 C ATOM 182 C VAL A 11 1.248 -0.626 2.418 1.00 0.00 C ATOM 183 O VAL A 11 0.303 -1.180 1.852 1.00 0.00 O ATOM 184 CB VAL A 11 3.095 -0.776 0.641 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.931 0.716 0.261 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.545 -1.260 0.390 1.00 0.00 C ATOM 0 H VAL A 11 2.312 -3.085 1.820 1.00 0.00 H new ATOM 0 HA VAL A 11 3.376 -0.461 2.740 1.00 0.00 H new ATOM 0 HB VAL A 11 2.419 -1.340 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.223 0.861 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.890 1.012 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.564 1.327 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.819 -1.066 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.227 -0.725 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.611 -2.330 0.589 1.00 0.00 H new ATOM 196 N THR A 12 1.104 0.322 3.343 1.00 0.00 N ATOM 197 CA THR A 12 -0.181 0.741 3.896 1.00 0.00 C ATOM 198 C THR A 12 -0.545 2.143 3.393 1.00 0.00 C ATOM 199 O THR A 12 0.199 3.098 3.627 1.00 0.00 O ATOM 200 CB THR A 12 -0.092 0.722 5.460 1.00 0.00 C ATOM 201 OG1 THR A 12 1.145 1.322 5.889 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.156 -0.703 6.020 1.00 0.00 C ATOM 0 H THR A 12 1.896 0.831 3.737 1.00 0.00 H new ATOM 0 HA THR A 12 -0.962 0.054 3.570 1.00 0.00 H new ATOM 0 HB THR A 12 -0.946 1.285 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.193 1.308 6.868 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.091 -0.670 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.098 -1.167 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.675 -1.287 5.625 1.00 0.00 H new ATOM 210 N GLN A 13 -1.658 2.245 2.655 1.00 0.00 N ATOM 211 CA GLN A 13 -2.303 3.534 2.353 1.00 0.00 C ATOM 212 C GLN A 13 -3.326 3.821 3.453 1.00 0.00 C ATOM 213 O GLN A 13 -4.340 3.127 3.549 1.00 0.00 O ATOM 214 CB GLN A 13 -2.974 3.519 0.938 1.00 0.00 C ATOM 215 CG GLN A 13 -2.082 4.015 -0.221 1.00 0.00 C ATOM 216 CD GLN A 13 -1.927 5.538 -0.268 1.00 0.00 C ATOM 217 OE1 GLN A 13 -1.971 6.222 0.752 1.00 0.00 O ATOM 218 NE2 GLN A 13 -1.759 6.093 -1.452 1.00 0.00 N ATOM 0 H GLN A 13 -2.137 1.440 2.251 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.554 4.326 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.295 2.501 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.872 4.136 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.096 3.561 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.504 3.672 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.725 5.510 -2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.663 7.105 -1.532 1.00 0.00 H new ATOM 227 N THR A 14 -3.030 4.801 4.317 1.00 0.00 N ATOM 228 CA THR A 14 -3.964 5.238 5.362 1.00 0.00 C ATOM 229 C THR A 14 -4.923 6.287 4.776 1.00 0.00 C ATOM 230 O THR A 14 -4.526 7.435 4.541 1.00 0.00 O ATOM 231 CB THR A 14 -3.189 5.834 6.593 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.234 6.803 6.147 1.00 0.00 O ATOM 233 CG2 THR A 14 -2.435 4.774 7.390 1.00 0.00 C ATOM 0 H THR A 14 -2.145 5.309 4.312 1.00 0.00 H new ATOM 0 HA THR A 14 -4.534 4.377 5.711 1.00 0.00 H new ATOM 0 HB THR A 14 -3.944 6.283 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.756 7.171 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.920 5.246 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.140 4.034 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.706 4.284 6.745 1.00 0.00 H new ATOM 241 N ILE A 15 -6.178 5.878 4.507 1.00 0.00 N ATOM 242 CA ILE A 15 -7.222 6.788 4.001 1.00 0.00 C ATOM 243 C ILE A 15 -8.010 7.351 5.186 1.00 0.00 C ATOM 244 O ILE A 15 -8.607 6.601 5.992 1.00 0.00 O ATOM 245 CB ILE A 15 -8.233 6.145 2.950 1.00 0.00 C ATOM 246 CG1 ILE A 15 -7.541 5.773 1.601 1.00 0.00 C ATOM 247 CG2 ILE A 15 -9.412 7.115 2.653 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.409 4.760 1.661 1.00 0.00 C ATOM 0 H ILE A 15 -6.494 4.916 4.633 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.694 7.569 3.453 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.604 5.229 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.304 5.388 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.152 6.689 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.089 6.655 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.952 7.325 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.022 8.046 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.017 4.592 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.614 5.141 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.783 3.820 2.066 1.00 0.00 H new ATOM 260 N HIS A 16 -8.000 8.683 5.276 1.00 0.00 N ATOM 261 CA HIS A 16 -8.812 9.442 6.214 1.00 0.00 C ATOM 262 C HIS A 16 -9.624 10.478 5.446 1.00 0.00 C ATOM 263 O HIS A 16 -9.103 11.215 4.593 1.00 0.00 O ATOM 264 CB HIS A 16 -7.965 10.081 7.333 1.00 0.00 C ATOM 265 CG HIS A 16 -6.848 10.979 6.902 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.722 12.270 7.351 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.759 10.748 6.134 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.614 12.789 6.891 1.00 0.00 C ATOM 269 NE2 HIS A 16 -5.015 11.896 6.145 1.00 0.00 N ATOM 0 H HIS A 16 -7.413 9.271 4.684 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.497 8.760 6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.631 10.653 7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.543 9.280 7.939 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.391 12.751 7.952 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.522 9.833 5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.253 13.787 7.093 1.00 0.00 H new ATOM 278 N TYR A 17 -10.902 10.483 5.760 1.00 0.00 N ATOM 279 CA TYR A 17 -11.916 11.277 5.093 1.00 0.00 C ATOM 280 C TYR A 17 -12.071 12.610 5.833 1.00 0.00 C ATOM 281 O TYR A 17 -12.320 12.622 7.033 1.00 0.00 O ATOM 282 CB TYR A 17 -13.231 10.466 5.082 1.00 0.00 C ATOM 283 CG TYR A 17 -13.082 9.066 4.446 1.00 0.00 C ATOM 284 CD1 TYR A 17 -13.206 8.879 3.075 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.767 7.946 5.215 1.00 0.00 C ATOM 286 CE1 TYR A 17 -13.029 7.639 2.499 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.603 6.704 4.641 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.736 6.554 3.281 1.00 0.00 C ATOM 289 OH TYR A 17 -12.548 5.317 2.705 1.00 0.00 O ATOM 0 H TYR A 17 -11.279 9.912 6.516 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.637 11.500 4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.590 10.356 6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.990 11.026 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.446 9.724 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.649 8.054 6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.122 7.523 1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.370 5.849 5.259 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.758 4.617 3.358 1.00 0.00 H new ATOM 299 N ARG A 18 -11.868 13.724 5.127 1.00 0.00 N ATOM 300 CA ARG A 18 -12.036 15.084 5.686 1.00 0.00 C ATOM 301 C ARG A 18 -12.807 15.944 4.695 1.00 0.00 C ATOM 302 O ARG A 18 -12.885 15.603 3.528 1.00 0.00 O ATOM 303 CB ARG A 18 -10.673 15.769 6.000 1.00 0.00 C ATOM 304 CG ARG A 18 -9.751 15.003 6.974 1.00 0.00 C ATOM 305 CD ARG A 18 -8.796 15.937 7.733 1.00 0.00 C ATOM 306 NE ARG A 18 -7.975 16.782 6.835 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.578 18.045 7.096 1.00 0.00 C ATOM 308 NH1 ARG A 18 -7.924 18.658 8.230 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.836 18.692 6.211 1.00 0.00 N ATOM 0 H ARG A 18 -11.581 13.718 4.148 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.583 14.987 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.137 15.919 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.870 16.757 6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.361 14.452 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.170 14.268 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.376 16.579 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.137 15.339 8.363 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.686 16.375 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.499 18.171 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.614 19.613 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.568 18.236 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.532 19.647 6.401 1.00 0.00 H new ATOM 323 N TYR A 19 -13.355 17.066 5.177 1.00 0.00 N ATOM 324 CA TYR A 19 -14.012 18.084 4.343 1.00 0.00 C ATOM 325 C TYR A 19 -12.996 19.166 3.964 1.00 0.00 C ATOM 326 O TYR A 19 -11.879 19.192 4.497 1.00 0.00 O ATOM 327 CB TYR A 19 -15.196 18.720 5.112 1.00 0.00 C ATOM 328 CG TYR A 19 -16.254 17.714 5.575 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.099 17.010 6.770 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.401 17.451 4.816 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.034 16.094 7.191 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.337 16.529 5.240 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.146 15.858 6.426 1.00 0.00 C ATOM 334 OH TYR A 19 -19.066 14.934 6.844 1.00 0.00 O ATOM 0 H TYR A 19 -13.355 17.297 6.171 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.395 17.613 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.808 19.249 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.672 19.464 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.225 17.189 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.556 17.977 3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.893 15.563 8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.216 16.335 4.643 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.954 15.184 6.514 1.00 0.00 H new ATOM 344 N GLU A 20 -13.408 20.070 3.069 1.00 0.00 N ATOM 345 CA GLU A 20 -12.635 21.279 2.714 1.00 0.00 C ATOM 346 C GLU A 20 -12.539 22.235 3.913 1.00 0.00 C ATOM 347 O GLU A 20 -11.612 23.038 4.001 1.00 0.00 O ATOM 348 CB GLU A 20 -13.280 22.010 1.499 1.00 0.00 C ATOM 349 CG GLU A 20 -14.757 22.421 1.709 1.00 0.00 C ATOM 350 CD GLU A 20 -15.220 23.536 0.763 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.528 23.254 -0.408 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.254 24.708 1.181 1.00 0.00 O ATOM 0 H GLU A 20 -14.291 19.989 2.564 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.629 20.964 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.696 22.903 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.217 21.361 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.393 21.547 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.892 22.750 2.739 1.00 0.00 H new ATOM 359 N ASP A 21 -13.527 22.124 4.819 1.00 0.00 N ATOM 360 CA ASP A 21 -13.596 22.872 6.087 1.00 0.00 C ATOM 361 C ASP A 21 -12.456 22.468 7.057 1.00 0.00 C ATOM 362 O ASP A 21 -12.107 23.229 7.968 1.00 0.00 O ATOM 363 CB ASP A 21 -14.986 22.602 6.721 1.00 0.00 C ATOM 364 CG ASP A 21 -15.170 23.227 8.114 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.457 24.438 8.206 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.013 22.509 9.129 1.00 0.00 O ATOM 0 H ASP A 21 -14.319 21.496 4.686 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.467 23.936 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.758 22.988 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.138 21.525 6.794 1.00 0.00 H new ATOM 371 N GLY A 22 -11.868 21.278 6.833 1.00 0.00 N ATOM 372 CA GLY A 22 -10.831 20.730 7.709 1.00 0.00 C ATOM 373 C GLY A 22 -11.379 19.698 8.685 1.00 0.00 C ATOM 374 O GLY A 22 -10.613 18.894 9.233 1.00 0.00 O ATOM 0 H GLY A 22 -12.101 20.677 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.051 20.272 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.365 21.542 8.267 1.00 0.00 H new ATOM 378 N ALA A 23 -12.716 19.729 8.894 1.00 0.00 N ATOM 379 CA ALA A 23 -13.442 18.762 9.739 1.00 0.00 C ATOM 380 C ALA A 23 -13.191 17.322 9.264 1.00 0.00 C ATOM 381 O ALA A 23 -13.182 17.067 8.066 1.00 0.00 O ATOM 382 CB ALA A 23 -14.949 19.073 9.706 1.00 0.00 C ATOM 0 H ALA A 23 -13.323 20.434 8.475 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.076 18.852 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.482 18.357 10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.121 20.081 10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.313 19.001 8.681 1.00 0.00 H new ATOM 388 N VAL A 24 -12.972 16.397 10.206 1.00 0.00 N ATOM 389 CA VAL A 24 -12.662 14.995 9.881 1.00 0.00 C ATOM 390 C VAL A 24 -13.957 14.171 9.806 1.00 0.00 C ATOM 391 O VAL A 24 -14.613 13.948 10.833 1.00 0.00 O ATOM 392 CB VAL A 24 -11.685 14.361 10.937 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.303 12.918 10.539 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.429 15.242 11.139 1.00 0.00 C ATOM 0 H VAL A 24 -13.004 16.594 11.206 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.165 14.980 8.911 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.208 14.315 11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.627 12.502 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.203 12.306 10.483 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.810 12.927 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.773 14.777 11.875 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.899 15.342 10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.729 16.228 11.493 1.00 0.00 H new ATOM 404 N ALA A 25 -14.328 13.751 8.582 1.00 0.00 N ATOM 405 CA ALA A 25 -15.465 12.838 8.353 1.00 0.00 C ATOM 406 C ALA A 25 -15.184 11.469 9.013 1.00 0.00 C ATOM 407 O ALA A 25 -15.999 10.964 9.794 1.00 0.00 O ATOM 408 CB ALA A 25 -15.740 12.689 6.844 1.00 0.00 C ATOM 0 H ALA A 25 -13.850 14.034 7.726 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.360 13.259 8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.581 12.013 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.978 13.664 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.856 12.284 6.351 1.00 0.00 H new ATOM 414 N HIS A 26 -14.003 10.898 8.695 1.00 0.00 N ATOM 415 CA HIS A 26 -13.492 9.629 9.272 1.00 0.00 C ATOM 416 C HIS A 26 -11.945 9.599 9.230 1.00 0.00 C ATOM 417 O HIS A 26 -11.314 10.404 8.546 1.00 0.00 O ATOM 418 CB HIS A 26 -14.049 8.392 8.521 1.00 0.00 C ATOM 419 CG HIS A 26 -15.472 8.017 8.818 1.00 0.00 C ATOM 420 ND1 HIS A 26 -15.840 7.304 9.933 1.00 0.00 N ATOM 421 CD2 HIS A 26 -16.613 8.248 8.128 1.00 0.00 C ATOM 422 CE1 HIS A 26 -17.146 7.121 9.920 1.00 0.00 C ATOM 423 NE2 HIS A 26 -17.636 7.676 8.835 1.00 0.00 N ATOM 0 H HIS A 26 -13.363 11.312 8.017 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.832 9.586 10.307 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.960 8.574 7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.414 7.537 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.700 8.784 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.717 6.602 10.675 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.619 7.680 8.563 1.00 0.00 H new ATOM 432 N ASP A 27 -11.366 8.641 9.962 1.00 0.00 N ATOM 433 CA ASP A 27 -9.912 8.413 10.043 1.00 0.00 C ATOM 434 C ASP A 27 -9.711 6.996 10.579 1.00 0.00 C ATOM 435 O ASP A 27 -9.547 6.802 11.791 1.00 0.00 O ATOM 436 CB ASP A 27 -9.199 9.491 10.940 1.00 0.00 C ATOM 437 CG ASP A 27 -7.706 9.193 11.228 1.00 0.00 C ATOM 438 OD1 ASP A 27 -6.881 9.227 10.289 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.351 8.906 12.397 1.00 0.00 O ATOM 0 H ASP A 27 -11.904 7.986 10.529 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.455 8.512 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.276 10.462 10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.732 9.568 11.888 1.00 0.00 H new ATOM 444 N ASP A 28 -9.804 5.997 9.674 1.00 0.00 N ATOM 445 CA ASP A 28 -9.808 4.574 10.077 1.00 0.00 C ATOM 446 C ASP A 28 -9.719 3.594 8.892 1.00 0.00 C ATOM 447 O ASP A 28 -9.632 2.389 9.127 1.00 0.00 O ATOM 448 CB ASP A 28 -11.076 4.243 10.941 1.00 0.00 C ATOM 449 CG ASP A 28 -12.400 4.517 10.199 1.00 0.00 C ATOM 450 OD1 ASP A 28 -12.809 5.698 10.100 1.00 0.00 O ATOM 451 OD2 ASP A 28 -13.045 3.563 9.716 1.00 0.00 O ATOM 0 H ASP A 28 -9.877 6.148 8.668 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.905 4.435 10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.043 3.195 11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.050 4.835 11.856 1.00 0.00 H new ATOM 456 N HIS A 29 -9.726 4.073 7.622 1.00 0.00 N ATOM 457 CA HIS A 29 -9.757 3.165 6.448 1.00 0.00 C ATOM 458 C HIS A 29 -8.358 2.985 5.847 1.00 0.00 C ATOM 459 O HIS A 29 -7.986 3.646 4.886 1.00 0.00 O ATOM 460 CB HIS A 29 -10.799 3.630 5.385 1.00 0.00 C ATOM 461 CG HIS A 29 -12.214 3.188 5.674 1.00 0.00 C ATOM 462 ND1 HIS A 29 -13.259 3.413 4.806 1.00 0.00 N ATOM 463 CD2 HIS A 29 -12.755 2.523 6.730 1.00 0.00 C ATOM 464 CE1 HIS A 29 -14.367 2.908 5.306 1.00 0.00 C ATOM 465 NE2 HIS A 29 -14.096 2.367 6.474 1.00 0.00 N ATOM 0 H HIS A 29 -9.711 5.066 7.387 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.085 2.186 6.797 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.776 4.718 5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.502 3.246 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.228 2.181 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.338 2.934 4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.769 1.908 7.088 1.00 0.00 H new ATOM 474 N VAL A 30 -7.583 2.082 6.453 1.00 0.00 N ATOM 475 CA VAL A 30 -6.245 1.722 5.980 1.00 0.00 C ATOM 476 C VAL A 30 -6.360 0.486 5.067 1.00 0.00 C ATOM 477 O VAL A 30 -7.032 -0.488 5.426 1.00 0.00 O ATOM 478 CB VAL A 30 -5.284 1.414 7.196 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.826 1.178 6.720 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.365 2.534 8.267 1.00 0.00 C ATOM 0 H VAL A 30 -7.869 1.577 7.292 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.822 2.558 5.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.622 0.489 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.191 0.969 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.799 0.330 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.461 2.069 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.694 2.297 9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.071 3.485 7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.387 2.608 8.640 1.00 0.00 H new ATOM 490 N VAL A 31 -5.740 0.539 3.878 1.00 0.00 N ATOM 491 CA VAL A 31 -5.609 -0.620 2.980 1.00 0.00 C ATOM 492 C VAL A 31 -4.130 -1.054 2.945 1.00 0.00 C ATOM 493 O VAL A 31 -3.245 -0.281 2.562 1.00 0.00 O ATOM 494 CB VAL A 31 -6.175 -0.322 1.532 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.588 0.967 0.913 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.980 -1.545 0.588 1.00 0.00 C ATOM 0 H VAL A 31 -5.314 1.390 3.511 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.215 -1.440 3.367 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.245 -0.149 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.012 1.120 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.832 1.819 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.505 0.872 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.378 -1.310 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.918 -1.775 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.507 -2.407 0.996 1.00 0.00 H new ATOM 506 N SER A 32 -3.877 -2.283 3.398 1.00 0.00 N ATOM 507 CA SER A 32 -2.538 -2.872 3.494 1.00 0.00 C ATOM 508 C SER A 32 -2.369 -3.907 2.379 1.00 0.00 C ATOM 509 O SER A 32 -3.222 -4.791 2.212 1.00 0.00 O ATOM 510 CB SER A 32 -2.367 -3.552 4.874 1.00 0.00 C ATOM 511 OG SER A 32 -2.672 -2.661 5.938 1.00 0.00 O ATOM 0 H SER A 32 -4.614 -2.912 3.716 1.00 0.00 H new ATOM 0 HA SER A 32 -1.783 -2.093 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.016 -4.425 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.343 -3.909 4.980 1.00 0.00 H new ATOM 0 HG SER A 32 -2.556 -3.122 6.795 1.00 0.00 H new ATOM 517 N LEU A 33 -1.294 -3.777 1.602 1.00 0.00 N ATOM 518 CA LEU A 33 -0.931 -4.742 0.549 1.00 0.00 C ATOM 519 C LEU A 33 0.305 -5.539 0.971 1.00 0.00 C ATOM 520 O LEU A 33 1.309 -4.956 1.381 1.00 0.00 O ATOM 521 CB LEU A 33 -0.691 -4.006 -0.781 1.00 0.00 C ATOM 522 CG LEU A 33 -1.943 -3.312 -1.392 1.00 0.00 C ATOM 523 CD1 LEU A 33 -1.568 -2.557 -2.670 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.090 -4.323 -1.645 1.00 0.00 C ATOM 0 H LEU A 33 -0.642 -2.996 1.681 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.753 -5.443 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.082 -3.253 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.301 -4.719 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.313 -2.587 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.456 -2.078 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.821 -1.798 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.160 -3.257 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.947 -3.802 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.751 -5.092 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.380 -4.787 -0.702 1.00 0.00 H new ATOM 536 N ILE A 34 0.221 -6.873 0.844 1.00 0.00 N ATOM 537 CA ILE A 34 1.244 -7.806 1.329 1.00 0.00 C ATOM 538 C ILE A 34 2.184 -8.168 0.162 1.00 0.00 C ATOM 539 O ILE A 34 1.734 -8.699 -0.859 1.00 0.00 O ATOM 540 CB ILE A 34 0.590 -9.115 1.950 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.191 -8.805 3.290 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.652 -10.232 2.177 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.479 -7.989 3.160 1.00 0.00 C ATOM 0 H ILE A 34 -0.569 -7.337 0.396 1.00 0.00 H new ATOM 0 HA ILE A 34 1.813 -7.324 2.124 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.134 -9.481 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.435 -9.753 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.483 -8.273 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.169 -11.112 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.112 -10.495 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.419 -9.871 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.919 -7.844 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.252 -7.019 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.185 -8.522 2.522 1.00 0.00 H new ATOM 555 N PHE A 35 3.479 -7.840 0.313 1.00 0.00 N ATOM 556 CA PHE A 35 4.542 -8.214 -0.636 1.00 0.00 C ATOM 557 C PHE A 35 5.411 -9.298 0.016 1.00 0.00 C ATOM 558 O PHE A 35 6.200 -9.010 0.920 1.00 0.00 O ATOM 559 CB PHE A 35 5.403 -6.980 -1.014 1.00 0.00 C ATOM 560 CG PHE A 35 4.608 -5.833 -1.644 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.859 -4.955 -0.855 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.614 -5.631 -3.022 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.150 -3.915 -1.427 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.913 -4.587 -3.589 1.00 0.00 C ATOM 565 CZ PHE A 35 3.182 -3.727 -2.792 1.00 0.00 C ATOM 0 H PHE A 35 3.821 -7.301 1.108 1.00 0.00 H new ATOM 0 HA PHE A 35 4.097 -8.596 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.904 -6.612 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.182 -7.293 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.834 -5.091 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.176 -6.301 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.571 -3.250 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.936 -4.441 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.636 -2.909 -3.238 1.00 0.00 H new ATOM 575 N THR A 36 5.222 -10.539 -0.422 1.00 0.00 N ATOM 576 CA THR A 36 5.924 -11.701 0.122 1.00 0.00 C ATOM 577 C THR A 36 7.164 -11.995 -0.731 1.00 0.00 C ATOM 578 O THR A 36 7.034 -12.455 -1.865 1.00 0.00 O ATOM 579 CB THR A 36 4.967 -12.934 0.145 1.00 0.00 C ATOM 580 OG1 THR A 36 3.757 -12.572 0.826 1.00 0.00 O ATOM 581 CG2 THR A 36 5.598 -14.159 0.836 1.00 0.00 C ATOM 0 H THR A 36 4.571 -10.771 -1.172 1.00 0.00 H new ATOM 0 HA THR A 36 6.242 -11.492 1.143 1.00 0.00 H new ATOM 0 HB THR A 36 4.763 -13.216 -0.888 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.149 -13.340 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.890 -14.988 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.505 -14.449 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.845 -13.908 1.867 1.00 0.00 H new ATOM 589 N GLN A 37 8.364 -11.671 -0.209 1.00 0.00 N ATOM 590 CA GLN A 37 9.623 -11.970 -0.900 1.00 0.00 C ATOM 591 C GLN A 37 9.985 -13.427 -0.685 1.00 0.00 C ATOM 592 O GLN A 37 10.707 -13.752 0.249 1.00 0.00 O ATOM 593 CB GLN A 37 10.762 -11.022 -0.440 1.00 0.00 C ATOM 594 CG GLN A 37 12.074 -11.167 -1.234 1.00 0.00 C ATOM 595 CD GLN A 37 13.143 -10.163 -0.812 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.946 -10.431 0.076 1.00 0.00 O ATOM 597 NE2 GLN A 37 13.145 -8.992 -1.435 1.00 0.00 N ATOM 0 H GLN A 37 8.482 -11.202 0.689 1.00 0.00 H new ATOM 0 HA GLN A 37 9.489 -11.799 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.415 -9.992 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.968 -11.207 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.461 -12.177 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.865 -11.041 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.462 -8.804 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.829 -8.280 -1.180 1.00 0.00 H new ATOM 606 N SER A 38 9.413 -14.310 -1.508 1.00 0.00 N ATOM 607 CA SER A 38 9.748 -15.729 -1.453 1.00 0.00 C ATOM 608 C SER A 38 11.136 -15.954 -2.071 1.00 0.00 C ATOM 609 O SER A 38 11.446 -15.423 -3.142 1.00 0.00 O ATOM 610 CB SER A 38 8.667 -16.571 -2.159 1.00 0.00 C ATOM 611 OG SER A 38 8.446 -16.147 -3.490 1.00 0.00 O ATOM 0 H SER A 38 8.720 -14.066 -2.215 1.00 0.00 H new ATOM 0 HA SER A 38 9.780 -16.053 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.967 -17.619 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.734 -16.506 -1.599 1.00 0.00 H new ATOM 0 HG SER A 38 7.755 -16.708 -3.901 1.00 0.00 H new ATOM 617 N GLY A 39 11.946 -16.731 -1.359 1.00 0.00 N ATOM 618 CA GLY A 39 13.270 -17.139 -1.797 1.00 0.00 C ATOM 619 C GLY A 39 13.542 -18.563 -1.391 1.00 0.00 C ATOM 620 O GLY A 39 12.613 -19.305 -1.039 1.00 0.00 O ATOM 0 H GLY A 39 11.692 -17.101 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.348 -17.042 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.022 -16.480 -1.363 1.00 0.00 H new ATOM 624 N LYS A 40 14.812 -18.950 -1.391 1.00 0.00 N ATOM 625 CA LYS A 40 15.218 -20.312 -1.037 1.00 0.00 C ATOM 626 C LYS A 40 16.531 -20.272 -0.245 1.00 0.00 C ATOM 627 O LYS A 40 17.406 -19.449 -0.531 1.00 0.00 O ATOM 628 CB LYS A 40 15.297 -21.183 -2.328 1.00 0.00 C ATOM 629 CG LYS A 40 16.293 -20.719 -3.429 1.00 0.00 C ATOM 630 CD LYS A 40 17.730 -21.274 -3.250 1.00 0.00 C ATOM 631 CE LYS A 40 18.674 -20.819 -4.372 1.00 0.00 C ATOM 632 NZ LYS A 40 18.209 -21.237 -5.717 1.00 0.00 N ATOM 0 H LYS A 40 15.589 -18.335 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 40 14.478 -20.779 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.563 -22.199 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.301 -21.228 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.913 -21.028 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.333 -19.630 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.127 -20.946 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.696 -22.363 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.766 -19.733 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.668 -21.228 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.964 -21.072 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.968 -22.248 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.368 -20.684 -5.981 1.00 0.00 H new ATOM 646 N ARG A 41 16.658 -21.146 0.762 1.00 0.00 N ATOM 647 CA ARG A 41 17.810 -21.164 1.674 1.00 0.00 C ATOM 648 C ARG A 41 18.632 -22.436 1.452 1.00 0.00 C ATOM 649 O ARG A 41 18.101 -23.548 1.552 1.00 0.00 O ATOM 650 CB ARG A 41 17.338 -21.103 3.150 1.00 0.00 C ATOM 651 CG ARG A 41 18.473 -21.087 4.196 1.00 0.00 C ATOM 652 CD ARG A 41 17.956 -21.151 5.643 1.00 0.00 C ATOM 653 NE ARG A 41 17.063 -20.018 5.976 1.00 0.00 N ATOM 654 CZ ARG A 41 16.460 -19.817 7.162 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.611 -20.679 8.170 1.00 0.00 N ATOM 656 NH2 ARG A 41 15.707 -18.739 7.334 1.00 0.00 N ATOM 0 H ARG A 41 15.962 -21.863 0.968 1.00 0.00 H new ATOM 0 HA ARG A 41 18.428 -20.291 1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.728 -20.210 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.695 -21.961 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.138 -21.932 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.066 -20.181 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.420 -22.088 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.803 -21.155 6.328 1.00 0.00 H new ATOM 0 HE ARG A 41 16.890 -19.330 5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.192 -21.508 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.145 -20.508 9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.589 -18.072 6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.245 -18.577 8.229 1.00 0.00 H new ATOM 670 N ASP A 42 19.920 -22.245 1.166 1.00 0.00 N ATOM 671 CA ASP A 42 20.908 -23.316 1.106 1.00 0.00 C ATOM 672 C ASP A 42 21.231 -23.745 2.535 1.00 0.00 C ATOM 673 O ASP A 42 21.647 -22.912 3.328 1.00 0.00 O ATOM 674 CB ASP A 42 22.165 -22.788 0.397 1.00 0.00 C ATOM 675 CG ASP A 42 23.292 -23.806 0.333 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.245 -24.719 -0.519 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.227 -23.702 1.133 1.00 0.00 O ATOM 0 H ASP A 42 20.310 -21.324 0.966 1.00 0.00 H new ATOM 0 HA ASP A 42 20.529 -24.174 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.902 -22.484 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.519 -21.897 0.915 1.00 0.00 H new ATOM 682 N LEU A 43 21.001 -25.019 2.855 1.00 0.00 N ATOM 683 CA LEU A 43 21.148 -25.533 4.229 1.00 0.00 C ATOM 684 C LEU A 43 22.598 -25.913 4.580 1.00 0.00 C ATOM 685 O LEU A 43 22.977 -25.832 5.754 1.00 0.00 O ATOM 686 CB LEU A 43 20.173 -26.722 4.441 1.00 0.00 C ATOM 687 CG LEU A 43 18.662 -26.345 4.334 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.752 -27.582 4.480 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.302 -25.251 5.361 1.00 0.00 C ATOM 0 H LEU A 43 20.709 -25.724 2.178 1.00 0.00 H new ATOM 0 HA LEU A 43 20.889 -24.728 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.395 -27.494 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.358 -27.157 5.423 1.00 0.00 H new ATOM 0 HG LEU A 43 18.488 -25.942 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.708 -27.278 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.983 -28.298 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.921 -28.045 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.245 -25.001 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.504 -25.616 6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.902 -24.361 5.170 1.00 0.00 H new ATOM 701 N THR A 44 23.413 -26.287 3.574 1.00 0.00 N ATOM 702 CA THR A 44 24.785 -26.803 3.820 1.00 0.00 C ATOM 703 C THR A 44 25.739 -25.662 4.247 1.00 0.00 C ATOM 704 O THR A 44 26.571 -25.845 5.151 1.00 0.00 O ATOM 705 CB THR A 44 25.351 -27.609 2.586 1.00 0.00 C ATOM 706 OG1 THR A 44 26.698 -28.046 2.822 1.00 0.00 O ATOM 707 CG2 THR A 44 25.307 -26.814 1.278 1.00 0.00 C ATOM 0 H THR A 44 23.153 -26.244 2.589 1.00 0.00 H new ATOM 0 HA THR A 44 24.721 -27.510 4.647 1.00 0.00 H new ATOM 0 HB THR A 44 24.695 -28.473 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.022 -28.543 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.710 -27.423 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.276 -26.544 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.904 -25.908 1.382 1.00 0.00 H new ATOM 715 N ASN A 45 25.611 -24.498 3.588 1.00 0.00 N ATOM 716 CA ASN A 45 26.301 -23.250 4.003 1.00 0.00 C ATOM 717 C ASN A 45 25.426 -22.502 5.018 1.00 0.00 C ATOM 718 O ASN A 45 25.934 -21.800 5.900 1.00 0.00 O ATOM 719 CB ASN A 45 26.611 -22.352 2.766 1.00 0.00 C ATOM 720 CG ASN A 45 27.463 -21.115 3.092 1.00 0.00 C ATOM 721 OD1 ASN A 45 26.826 -20.033 3.520 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 28.686 -21.143 2.983 1.00 0.00 N flip ATOM 0 H ASN A 45 25.031 -24.389 2.756 1.00 0.00 H new ATOM 0 HA ASN A 45 27.252 -23.504 4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.128 -22.950 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.671 -22.026 2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.149 -21.989 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.238 -20.320 3.224 1.00 0.00 H new ATOM 729 N GLY A 46 24.095 -22.677 4.888 1.00 0.00 N ATOM 730 CA GLY A 46 23.133 -22.009 5.769 1.00 0.00 C ATOM 731 C GLY A 46 22.938 -20.555 5.370 1.00 0.00 C ATOM 732 O GLY A 46 22.769 -19.676 6.224 1.00 0.00 O ATOM 0 H GLY A 46 23.669 -23.276 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.177 -22.531 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 46 23.483 -22.062 6.800 1.00 0.00 H new ATOM 736 N LYS A 47 22.968 -20.311 4.049 1.00 0.00 N ATOM 737 CA LYS A 47 22.819 -18.974 3.466 1.00 0.00 C ATOM 738 C LYS A 47 21.415 -18.825 2.867 1.00 0.00 C ATOM 739 O LYS A 47 20.873 -19.776 2.298 1.00 0.00 O ATOM 740 CB LYS A 47 23.902 -18.716 2.382 1.00 0.00 C ATOM 741 CG LYS A 47 23.946 -19.747 1.233 1.00 0.00 C ATOM 742 CD LYS A 47 24.905 -19.340 0.090 1.00 0.00 C ATOM 743 CE LYS A 47 24.486 -18.024 -0.595 1.00 0.00 C ATOM 744 NZ LYS A 47 25.395 -17.660 -1.712 1.00 0.00 N ATOM 0 H LYS A 47 23.098 -21.045 3.353 1.00 0.00 H new ATOM 0 HA LYS A 47 22.952 -18.233 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.736 -17.727 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.879 -18.694 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.255 -20.713 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.942 -19.875 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.914 -19.233 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.938 -20.137 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.468 -18.121 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.477 -17.220 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.076 -16.769 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.362 -17.541 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.385 -18.414 -2.428 1.00 0.00 H new ATOM 758 N GLU A 48 20.831 -17.625 3.006 1.00 0.00 N ATOM 759 CA GLU A 48 19.512 -17.298 2.447 1.00 0.00 C ATOM 760 C GLU A 48 19.698 -16.578 1.115 1.00 0.00 C ATOM 761 O GLU A 48 20.234 -15.467 1.078 1.00 0.00 O ATOM 762 CB GLU A 48 18.733 -16.404 3.435 1.00 0.00 C ATOM 763 CG GLU A 48 18.407 -17.087 4.765 1.00 0.00 C ATOM 764 CD GLU A 48 17.634 -16.180 5.726 1.00 0.00 C ATOM 765 OE1 GLU A 48 18.255 -15.300 6.361 1.00 0.00 O ATOM 766 OE2 GLU A 48 16.401 -16.322 5.832 1.00 0.00 O ATOM 0 H GLU A 48 21.263 -16.852 3.512 1.00 0.00 H new ATOM 0 HA GLU A 48 18.943 -18.213 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.316 -15.505 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.803 -16.084 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.822 -17.986 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.334 -17.406 5.241 1.00 0.00 H new ATOM 773 N ILE A 49 19.268 -17.225 0.033 1.00 0.00 N ATOM 774 CA ILE A 49 19.380 -16.673 -1.323 1.00 0.00 C ATOM 775 C ILE A 49 18.075 -15.945 -1.644 1.00 0.00 C ATOM 776 O ILE A 49 17.006 -16.572 -1.675 1.00 0.00 O ATOM 777 CB ILE A 49 19.665 -17.758 -2.447 1.00 0.00 C ATOM 778 CG1 ILE A 49 20.962 -18.594 -2.143 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.753 -17.085 -3.856 1.00 0.00 C ATOM 780 CD1 ILE A 49 20.811 -19.676 -1.081 1.00 0.00 C ATOM 0 H ILE A 49 18.832 -18.146 0.068 1.00 0.00 H new ATOM 0 HA ILE A 49 20.241 -16.005 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 49 18.826 -18.454 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.297 -19.062 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.750 -17.909 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.949 -17.846 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.810 -16.585 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.561 -16.354 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.762 -20.191 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.511 -19.220 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.051 -20.391 -1.396 1.00 0.00 H new ATOM 792 N TRP A 50 18.163 -14.625 -1.848 1.00 0.00 N ATOM 793 CA TRP A 50 17.048 -13.785 -2.309 1.00 0.00 C ATOM 794 C TRP A 50 17.436 -13.264 -3.694 1.00 0.00 C ATOM 795 O TRP A 50 18.572 -12.806 -3.881 1.00 0.00 O ATOM 796 CB TRP A 50 16.803 -12.608 -1.322 1.00 0.00 C ATOM 797 CG TRP A 50 16.718 -13.039 0.127 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.716 -12.980 1.062 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.588 -13.619 0.794 1.00 0.00 C ATOM 800 NE1 TRP A 50 17.265 -13.456 2.261 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.966 -13.853 2.125 1.00 0.00 C ATOM 802 CE3 TRP A 50 14.293 -13.955 0.397 1.00 0.00 C ATOM 803 CZ2 TRP A 50 15.100 -14.398 3.063 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.436 -14.499 1.329 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.841 -14.718 2.647 1.00 0.00 C ATOM 0 H TRP A 50 19.025 -14.101 -1.695 1.00 0.00 H new ATOM 0 HA TRP A 50 16.121 -14.356 -2.355 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.608 -11.881 -1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.878 -12.101 -1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.714 -12.611 0.879 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.812 -13.507 3.121 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.969 -13.792 -0.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.411 -14.563 4.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.431 -14.761 1.034 1.00 0.00 H new ATOM 0 HH2 TRP A 50 13.144 -15.149 3.351 1.00 0.00 H new ATOM 816 N ASP A 51 16.519 -13.355 -4.660 1.00 0.00 N ATOM 817 CA ASP A 51 16.772 -12.934 -6.044 1.00 0.00 C ATOM 818 C ASP A 51 16.761 -11.396 -6.120 1.00 0.00 C ATOM 819 O ASP A 51 15.808 -10.767 -5.669 1.00 0.00 O ATOM 820 CB ASP A 51 15.715 -13.554 -6.992 1.00 0.00 C ATOM 821 CG ASP A 51 16.008 -13.273 -8.475 1.00 0.00 C ATOM 822 OD1 ASP A 51 16.742 -14.060 -9.109 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.511 -12.274 -9.012 1.00 0.00 O ATOM 0 H ASP A 51 15.580 -13.722 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 51 17.752 -13.289 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.677 -14.631 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.731 -13.159 -6.739 1.00 0.00 H new ATOM 828 N SER A 52 17.831 -10.816 -6.682 1.00 0.00 N ATOM 829 CA SER A 52 18.019 -9.357 -6.784 1.00 0.00 C ATOM 830 C SER A 52 16.999 -8.713 -7.752 1.00 0.00 C ATOM 831 O SER A 52 16.590 -7.567 -7.550 1.00 0.00 O ATOM 832 CB SER A 52 19.472 -9.049 -7.229 1.00 0.00 C ATOM 833 OG SER A 52 19.729 -7.656 -7.239 1.00 0.00 O ATOM 0 H SER A 52 18.601 -11.351 -7.084 1.00 0.00 H new ATOM 0 HA SER A 52 17.844 -8.921 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 52 20.172 -9.544 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.643 -9.458 -8.225 1.00 0.00 H new ATOM 0 HG SER A 52 20.653 -7.496 -7.522 1.00 0.00 H new ATOM 839 N LYS A 53 16.580 -9.470 -8.784 1.00 0.00 N ATOM 840 CA LYS A 53 15.629 -8.983 -9.807 1.00 0.00 C ATOM 841 C LYS A 53 14.169 -9.195 -9.365 1.00 0.00 C ATOM 842 O LYS A 53 13.250 -8.911 -10.140 1.00 0.00 O ATOM 843 CB LYS A 53 15.862 -9.666 -11.189 1.00 0.00 C ATOM 844 CG LYS A 53 17.314 -9.577 -11.733 1.00 0.00 C ATOM 845 CD LYS A 53 18.222 -10.740 -11.263 1.00 0.00 C ATOM 846 CE LYS A 53 17.778 -12.106 -11.821 1.00 0.00 C ATOM 847 NZ LYS A 53 18.582 -13.228 -11.267 1.00 0.00 N ATOM 0 H LYS A 53 16.888 -10.431 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 53 15.813 -7.914 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.585 -10.717 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.189 -9.214 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.285 -9.566 -12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.755 -8.632 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.248 -10.542 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.220 -10.779 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.725 -12.266 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.867 -12.099 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.738 -13.942 -12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.499 -12.867 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.072 -13.660 -10.471 1.00 0.00 H new ATOM 861 N TRP A 54 13.966 -9.719 -8.132 1.00 0.00 N ATOM 862 CA TRP A 54 12.630 -9.900 -7.540 1.00 0.00 C ATOM 863 C TRP A 54 11.891 -8.550 -7.448 1.00 0.00 C ATOM 864 O TRP A 54 12.479 -7.545 -7.031 1.00 0.00 O ATOM 865 CB TRP A 54 12.757 -10.554 -6.129 1.00 0.00 C ATOM 866 CG TRP A 54 11.442 -10.787 -5.407 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.699 -11.929 -5.396 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.716 -9.840 -4.610 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.572 -11.744 -4.641 1.00 0.00 N ATOM 870 CE2 TRP A 54 9.565 -10.474 -4.155 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.950 -8.517 -4.225 1.00 0.00 C ATOM 872 CZ2 TRP A 54 8.639 -9.833 -3.348 1.00 0.00 C ATOM 873 CZ3 TRP A 54 10.030 -7.875 -3.439 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.884 -8.534 -3.002 1.00 0.00 C ATOM 0 H TRP A 54 14.726 -10.026 -7.525 1.00 0.00 H new ATOM 0 HA TRP A 54 12.048 -10.562 -8.182 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.271 -11.510 -6.233 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.388 -9.919 -5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.960 -12.844 -5.907 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.853 -12.447 -4.470 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.847 -8.006 -4.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.752 -10.344 -3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.195 -6.846 -3.155 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.176 -8.009 -2.378 1.00 0.00 H new ATOM 885 N SER A 55 10.613 -8.547 -7.851 1.00 0.00 N ATOM 886 CA SER A 55 9.703 -7.412 -7.675 1.00 0.00 C ATOM 887 C SER A 55 8.236 -7.924 -7.678 1.00 0.00 C ATOM 888 O SER A 55 7.816 -8.569 -8.642 1.00 0.00 O ATOM 889 CB SER A 55 9.973 -6.360 -8.780 1.00 0.00 C ATOM 890 OG SER A 55 9.847 -6.903 -10.089 1.00 0.00 O ATOM 0 H SER A 55 10.178 -9.345 -8.315 1.00 0.00 H new ATOM 0 HA SER A 55 9.874 -6.924 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.276 -5.530 -8.665 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.976 -5.954 -8.653 1.00 0.00 H new ATOM 0 HG SER A 55 9.126 -7.567 -10.100 1.00 0.00 H new ATOM 896 N LEU A 56 7.480 -7.655 -6.590 1.00 0.00 N ATOM 897 CA LEU A 56 6.081 -8.135 -6.412 1.00 0.00 C ATOM 898 C LEU A 56 5.140 -6.946 -6.659 1.00 0.00 C ATOM 899 O LEU A 56 5.387 -5.861 -6.130 1.00 0.00 O ATOM 900 CB LEU A 56 5.910 -8.706 -4.966 1.00 0.00 C ATOM 901 CG LEU A 56 4.738 -9.706 -4.661 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.347 -9.035 -4.703 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.807 -10.952 -5.583 1.00 0.00 C ATOM 0 H LEU A 56 7.819 -7.098 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 56 5.844 -8.933 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.842 -9.205 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.799 -7.857 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 56 4.876 -10.043 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.579 -9.777 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.305 -8.239 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.175 -8.616 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.983 -11.625 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.733 -10.639 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.754 -11.469 -5.426 1.00 0.00 H new ATOM 915 N THR A 57 4.077 -7.151 -7.442 1.00 0.00 N ATOM 916 CA THR A 57 3.140 -6.085 -7.827 1.00 0.00 C ATOM 917 C THR A 57 1.803 -6.251 -7.077 1.00 0.00 C ATOM 918 O THR A 57 1.172 -7.307 -7.169 1.00 0.00 O ATOM 919 CB THR A 57 2.889 -6.131 -9.370 1.00 0.00 C ATOM 920 OG1 THR A 57 4.150 -6.198 -10.061 1.00 0.00 O ATOM 921 CG2 THR A 57 2.120 -4.902 -9.863 1.00 0.00 C ATOM 0 H THR A 57 3.839 -8.064 -7.830 1.00 0.00 H new ATOM 0 HA THR A 57 3.576 -5.122 -7.561 1.00 0.00 H new ATOM 0 HB THR A 57 2.287 -7.016 -9.578 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.620 -5.343 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.968 -4.976 -10.940 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.153 -4.853 -9.362 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.691 -4.001 -9.638 1.00 0.00 H new ATOM 929 N GLN A 58 1.381 -5.210 -6.334 1.00 0.00 N ATOM 930 CA GLN A 58 0.083 -5.172 -5.618 1.00 0.00 C ATOM 931 C GLN A 58 -0.646 -3.864 -5.976 1.00 0.00 C ATOM 932 O GLN A 58 -0.041 -2.791 -5.924 1.00 0.00 O ATOM 933 CB GLN A 58 0.289 -5.233 -4.085 1.00 0.00 C ATOM 934 CG GLN A 58 0.871 -6.537 -3.512 1.00 0.00 C ATOM 935 CD GLN A 58 -0.102 -7.705 -3.589 1.00 0.00 C ATOM 936 OE1 GLN A 58 -0.896 -7.922 -2.677 1.00 0.00 O ATOM 937 NE2 GLN A 58 -0.035 -8.469 -4.656 1.00 0.00 N ATOM 0 H GLN A 58 1.934 -4.362 -6.210 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.507 -6.037 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.947 -4.413 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.673 -5.052 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.781 -6.792 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.155 -6.376 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.637 -8.258 -5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.655 -9.273 -4.747 1.00 0.00 H new ATOM 946 N THR A 59 -1.948 -3.957 -6.293 1.00 0.00 N ATOM 947 CA THR A 59 -2.765 -2.803 -6.726 1.00 0.00 C ATOM 948 C THR A 59 -3.575 -2.211 -5.547 1.00 0.00 C ATOM 949 O THR A 59 -4.395 -2.916 -4.939 1.00 0.00 O ATOM 950 CB THR A 59 -3.744 -3.237 -7.869 1.00 0.00 C ATOM 951 OG1 THR A 59 -2.986 -3.784 -8.958 1.00 0.00 O ATOM 952 CG2 THR A 59 -4.607 -2.072 -8.390 1.00 0.00 C ATOM 0 H THR A 59 -2.468 -4.834 -6.257 1.00 0.00 H new ATOM 0 HA THR A 59 -2.087 -2.034 -7.096 1.00 0.00 H new ATOM 0 HB THR A 59 -4.421 -3.981 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.154 -3.260 -9.769 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.266 -2.432 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.206 -1.670 -7.573 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.960 -1.289 -8.785 1.00 0.00 H new ATOM 960 N PHE A 60 -3.321 -0.923 -5.206 1.00 0.00 N ATOM 961 CA PHE A 60 -4.185 -0.172 -4.268 1.00 0.00 C ATOM 962 C PHE A 60 -5.501 0.172 -4.976 1.00 0.00 C ATOM 963 O PHE A 60 -5.489 0.840 -6.011 1.00 0.00 O ATOM 964 CB PHE A 60 -3.513 1.129 -3.741 1.00 0.00 C ATOM 965 CG PHE A 60 -2.458 0.910 -2.661 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.834 0.501 -1.382 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.104 1.109 -2.911 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.889 0.300 -0.396 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.158 0.912 -1.924 1.00 0.00 C ATOM 970 CZ PHE A 60 -0.554 0.506 -0.669 1.00 0.00 C ATOM 0 H PHE A 60 -2.530 -0.388 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.366 -0.806 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.051 1.649 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.287 1.787 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.878 0.339 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.787 1.423 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.196 -0.019 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.888 1.076 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.184 0.349 0.104 1.00 0.00 H new ATOM 980 N GLU A 61 -6.605 -0.327 -4.408 1.00 0.00 N ATOM 981 CA GLU A 61 -7.965 -0.165 -4.944 1.00 0.00 C ATOM 982 C GLU A 61 -8.969 -0.659 -3.889 1.00 0.00 C ATOM 983 O GLU A 61 -8.622 -0.773 -2.701 1.00 0.00 O ATOM 984 CB GLU A 61 -8.134 -0.963 -6.271 1.00 0.00 C ATOM 985 CG GLU A 61 -7.955 -2.496 -6.129 1.00 0.00 C ATOM 986 CD GLU A 61 -8.378 -3.261 -7.385 1.00 0.00 C ATOM 987 OE1 GLU A 61 -9.597 -3.414 -7.610 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.507 -3.725 -8.146 1.00 0.00 O ATOM 0 H GLU A 61 -6.579 -0.867 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.147 0.887 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.126 -0.762 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.411 -0.592 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.910 -2.716 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.541 -2.849 -5.280 1.00 0.00 H new ATOM 995 N ALA A 62 -10.227 -0.909 -4.328 1.00 0.00 N ATOM 996 CA ALA A 62 -11.259 -1.617 -3.539 1.00 0.00 C ATOM 997 C ALA A 62 -11.664 -0.846 -2.271 1.00 0.00 C ATOM 998 O ALA A 62 -12.250 -1.419 -1.357 1.00 0.00 O ATOM 999 CB ALA A 62 -10.807 -3.062 -3.223 1.00 0.00 C ATOM 0 H ALA A 62 -10.555 -0.621 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.158 -1.673 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.579 -3.566 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.642 -3.604 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.881 -3.036 -2.649 1.00 0.00 H new ATOM 1005 N LEU A 63 -11.384 0.467 -2.245 1.00 0.00 N ATOM 1006 CA LEU A 63 -11.714 1.337 -1.114 1.00 0.00 C ATOM 1007 C LEU A 63 -12.226 2.697 -1.645 1.00 0.00 C ATOM 1008 O LEU A 63 -11.435 3.537 -2.081 1.00 0.00 O ATOM 1009 CB LEU A 63 -10.486 1.500 -0.174 1.00 0.00 C ATOM 1010 CG LEU A 63 -10.713 2.353 1.119 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -11.909 1.828 1.949 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.422 2.410 1.966 1.00 0.00 C ATOM 0 H LEU A 63 -10.921 0.953 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.508 0.884 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.150 0.507 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.675 1.953 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.962 3.368 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.034 2.446 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.816 1.871 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.720 0.797 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.600 3.007 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.132 1.400 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.622 2.863 1.380 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.577 2.895 -1.689 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.196 4.179 -2.061 1.00 0.00 C ATOM 1026 C PRO A 64 -14.399 5.101 -0.831 1.00 0.00 C ATOM 1027 O PRO A 64 -13.828 4.859 0.243 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.532 3.706 -2.687 1.00 0.00 C ATOM 1029 CG PRO A 64 -15.920 2.498 -1.883 1.00 0.00 C ATOM 1030 CD PRO A 64 -14.617 1.867 -1.400 1.00 0.00 C ATOM 0 HA PRO A 64 -13.595 4.790 -2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.294 4.483 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.410 3.458 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.552 2.779 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.491 1.795 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.659 1.633 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.409 0.934 -1.924 1.00 0.00 H new ATOM 1038 N SER A 65 -15.199 6.163 -1.005 1.00 0.00 N ATOM 1039 CA SER A 65 -15.525 7.139 0.057 1.00 0.00 C ATOM 1040 C SER A 65 -17.043 7.111 0.373 1.00 0.00 C ATOM 1041 O SER A 65 -17.845 6.825 -0.521 1.00 0.00 O ATOM 1042 CB SER A 65 -15.089 8.554 -0.397 1.00 0.00 C ATOM 1043 OG SER A 65 -13.694 8.605 -0.648 1.00 0.00 O ATOM 0 H SER A 65 -15.646 6.375 -1.897 1.00 0.00 H new ATOM 0 HA SER A 65 -14.987 6.873 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.634 8.833 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.350 9.282 0.371 1.00 0.00 H new ATOM 0 HG SER A 65 -13.419 9.537 -0.778 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.464 7.359 1.662 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.895 7.540 2.014 1.00 0.00 C ATOM 1051 C PRO A 66 -19.524 8.737 1.249 1.00 0.00 C ATOM 1052 O PRO A 66 -18.990 9.854 1.289 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.867 7.780 3.558 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.454 8.167 3.876 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.601 7.430 2.871 1.00 0.00 C ATOM 0 HA PRO A 66 -19.511 6.684 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.564 8.567 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.160 6.881 4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.314 9.245 3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.190 7.887 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.671 7.961 2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.329 6.437 3.228 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.637 8.468 0.528 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.378 9.473 -0.267 1.00 0.00 C ATOM 1065 C VAL A 67 -21.962 10.556 0.667 1.00 0.00 C ATOM 1066 O VAL A 67 -22.860 10.260 1.455 1.00 0.00 O ATOM 1067 CB VAL A 67 -22.547 8.799 -1.087 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -23.335 9.847 -1.912 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -22.016 7.654 -1.991 1.00 0.00 C ATOM 0 H VAL A 67 -21.050 7.536 0.482 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.681 9.930 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.239 8.358 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -24.132 9.350 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.767 10.589 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.661 10.340 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.846 7.211 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -21.286 8.055 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.543 6.891 -1.372 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.420 11.788 0.612 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.899 12.914 1.437 1.00 0.00 C ATOM 1081 C ILE A 68 -22.556 13.962 0.534 1.00 0.00 C ATOM 1082 O ILE A 68 -21.930 14.486 -0.385 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.728 13.568 2.272 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -20.029 12.495 3.169 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.257 14.742 3.131 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.928 13.017 4.071 1.00 0.00 C ATOM 0 H ILE A 68 -20.642 12.030 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.630 12.529 2.149 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.990 13.965 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.786 12.016 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.611 11.723 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.434 15.178 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.692 15.501 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -22.018 14.375 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.510 12.193 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -18.144 13.469 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.338 13.765 4.749 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.821 14.255 0.862 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.702 15.144 0.121 1.00 0.00 C ATOM 1100 C ILE A 69 -24.257 16.596 0.357 1.00 0.00 C ATOM 1101 O ILE A 69 -23.927 16.975 1.489 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.199 14.897 0.574 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.752 13.474 0.124 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.151 16.021 0.062 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.957 12.224 0.497 1.00 0.00 C ATOM 0 H ILE A 69 -24.270 13.858 1.687 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.645 14.944 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.184 14.918 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -27.754 13.363 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.855 13.488 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.169 15.815 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.827 16.982 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.124 16.053 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.469 11.340 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.960 12.283 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.874 12.156 1.582 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.206 17.375 -0.733 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.683 18.729 -0.707 1.00 0.00 C ATOM 1119 C GLY A 70 -22.177 18.778 -0.915 1.00 0.00 C ATOM 1120 O GLY A 70 -21.602 19.869 -0.959 1.00 0.00 O ATOM 0 H GLY A 70 -24.529 17.075 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.173 19.319 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.929 19.192 0.249 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.521 17.596 -1.064 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.048 17.490 -1.141 1.00 0.00 C ATOM 1126 C TYR A 71 -19.596 16.470 -2.192 1.00 0.00 C ATOM 1127 O TYR A 71 -20.395 15.683 -2.717 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.447 17.107 0.238 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.627 18.177 1.321 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.782 19.290 1.383 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.659 18.098 2.254 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -18.961 20.268 2.339 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -20.841 19.071 3.205 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.993 20.155 3.245 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.172 21.134 4.194 1.00 0.00 O ATOM 0 H TYR A 71 -22.000 16.698 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.681 18.472 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.909 16.180 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.383 16.906 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.976 19.385 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.331 17.253 2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -18.296 21.118 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.647 18.987 3.919 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.942 20.908 4.756 1.00 0.00 H new ATOM 1145 N THR A 72 -18.281 16.505 -2.480 1.00 0.00 N ATOM 1146 CA THR A 72 -17.606 15.577 -3.392 1.00 0.00 C ATOM 1147 C THR A 72 -16.145 15.416 -2.931 1.00 0.00 C ATOM 1148 O THR A 72 -15.422 16.414 -2.865 1.00 0.00 O ATOM 1149 CB THR A 72 -17.613 16.121 -4.861 1.00 0.00 C ATOM 1150 OG1 THR A 72 -18.914 16.627 -5.204 1.00 0.00 O ATOM 1151 CG2 THR A 72 -17.206 15.039 -5.876 1.00 0.00 C ATOM 0 H THR A 72 -17.650 17.196 -2.074 1.00 0.00 H new ATOM 0 HA THR A 72 -18.133 14.623 -3.374 1.00 0.00 H new ATOM 0 HB THR A 72 -16.880 16.926 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.902 16.965 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.224 15.458 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.200 14.686 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.905 14.205 -5.818 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.724 14.175 -2.624 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.353 13.871 -2.164 1.00 0.00 C ATOM 1161 C ALA A 73 -13.315 14.189 -3.261 1.00 0.00 C ATOM 1162 O ALA A 73 -13.607 14.039 -4.447 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.259 12.394 -1.744 1.00 0.00 C ATOM 0 H ALA A 73 -16.324 13.353 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.130 14.501 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.246 12.176 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.962 12.201 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.503 11.758 -2.595 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.103 14.620 -2.838 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.971 14.938 -3.748 1.00 0.00 C ATOM 1171 C ASP A 74 -10.523 13.670 -4.517 1.00 0.00 C ATOM 1172 O ASP A 74 -10.093 13.740 -5.673 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.790 15.546 -2.934 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.553 15.925 -3.776 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -8.707 16.418 -4.915 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -7.419 15.739 -3.298 1.00 0.00 O ATOM 0 H ASP A 74 -11.880 14.758 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.299 15.675 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.145 16.436 -2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.487 14.830 -2.170 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.658 12.518 -3.846 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.503 11.192 -4.449 1.00 0.00 C ATOM 1183 C LYS A 75 -11.559 10.258 -3.814 1.00 0.00 C ATOM 1184 O LYS A 75 -11.342 9.699 -2.736 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.037 10.623 -4.341 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.402 10.536 -2.920 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.953 11.902 -2.344 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.815 12.554 -3.137 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.571 11.764 -3.084 1.00 0.00 N ATOM 0 H LYS A 75 -10.882 12.484 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.673 11.264 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.032 9.623 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.389 11.242 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.123 10.086 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.541 9.869 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.807 12.579 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.634 11.765 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.122 12.675 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.626 13.552 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.876 12.251 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.773 10.824 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.185 11.659 -4.044 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.767 10.115 -4.466 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.863 9.247 -3.958 1.00 0.00 C ATOM 1205 C PRO A 76 -13.555 7.739 -4.084 1.00 0.00 C ATOM 1206 O PRO A 76 -14.360 6.905 -3.685 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.074 9.677 -4.826 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.467 10.132 -6.111 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.163 10.796 -5.733 1.00 0.00 C ATOM 0 HA PRO A 76 -14.032 9.373 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.764 8.848 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.641 10.477 -4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.298 9.291 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.125 10.829 -6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.409 10.666 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.289 11.869 -5.587 1.00 0.00 H new ATOM 1217 N MET A 77 -12.394 7.415 -4.649 1.00 0.00 N ATOM 1218 CA MET A 77 -11.868 6.057 -4.706 1.00 0.00 C ATOM 1219 C MET A 77 -10.339 6.137 -4.667 1.00 0.00 C ATOM 1220 O MET A 77 -9.751 7.045 -5.273 1.00 0.00 O ATOM 1221 CB MET A 77 -12.350 5.329 -5.992 1.00 0.00 C ATOM 1222 CG MET A 77 -11.814 3.903 -6.155 1.00 0.00 C ATOM 1223 SD MET A 77 -12.283 3.151 -7.722 1.00 0.00 S ATOM 1224 CE MET A 77 -11.315 1.640 -7.684 1.00 0.00 C ATOM 0 H MET A 77 -11.783 8.103 -5.088 1.00 0.00 H new ATOM 0 HA MET A 77 -12.233 5.482 -3.855 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.439 5.296 -5.988 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.052 5.917 -6.860 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.727 3.918 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.184 3.286 -5.337 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.257 1.220 -8.688 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.310 1.861 -7.324 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.790 0.921 -7.017 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.718 5.212 -3.929 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.261 4.986 -3.969 1.00 0.00 C ATOM 1236 C VAL A 78 -7.891 4.521 -5.379 1.00 0.00 C ATOM 1237 O VAL A 78 -8.441 3.521 -5.857 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.806 3.919 -2.905 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.261 3.741 -2.884 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.340 4.302 -1.516 1.00 0.00 C ATOM 0 H VAL A 78 -10.209 4.594 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.748 5.916 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.229 2.956 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.991 2.996 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.919 3.411 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.789 4.692 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.021 3.558 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.950 5.280 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.429 4.340 -1.543 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.983 5.276 -6.019 1.00 0.00 N ATOM 1251 CA GLY A 79 -6.632 5.105 -7.426 1.00 0.00 C ATOM 1252 C GLY A 79 -6.164 3.694 -7.760 1.00 0.00 C ATOM 1253 O GLY A 79 -5.106 3.296 -7.277 1.00 0.00 O ATOM 0 H GLY A 79 -6.470 6.030 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.497 5.349 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.845 5.813 -7.686 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.951 2.906 -8.567 1.00 0.00 N ATOM 1258 CA PRO A 80 -6.625 1.501 -8.892 1.00 0.00 C ATOM 1259 C PRO A 80 -5.322 1.420 -9.707 1.00 0.00 C ATOM 1260 O PRO A 80 -5.332 1.514 -10.943 1.00 0.00 O ATOM 1261 CB PRO A 80 -7.874 1.020 -9.683 1.00 0.00 C ATOM 1262 CG PRO A 80 -8.447 2.272 -10.274 1.00 0.00 C ATOM 1263 CD PRO A 80 -8.212 3.345 -9.238 1.00 0.00 C ATOM 0 HA PRO A 80 -6.436 0.874 -8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.602 0.304 -10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.592 0.525 -9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.959 2.521 -11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.510 2.156 -10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.103 4.328 -9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.041 3.412 -8.533 1.00 0.00 H new ATOM 1271 N ASP A 81 -4.187 1.289 -8.998 1.00 0.00 N ATOM 1272 CA ASP A 81 -2.856 1.418 -9.615 1.00 0.00 C ATOM 1273 C ASP A 81 -1.884 0.378 -9.044 1.00 0.00 C ATOM 1274 O ASP A 81 -1.849 0.139 -7.832 1.00 0.00 O ATOM 1275 CB ASP A 81 -2.318 2.862 -9.419 1.00 0.00 C ATOM 1276 CG ASP A 81 -0.916 3.074 -10.008 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -0.744 2.848 -11.222 1.00 0.00 O ATOM 1278 OD2 ASP A 81 0.022 3.434 -9.261 1.00 0.00 O ATOM 0 H ASP A 81 -4.165 1.094 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.945 1.227 -10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.009 3.566 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.295 3.092 -8.354 1.00 0.00 H new ATOM 1283 N GLU A 82 -1.103 -0.214 -9.962 1.00 0.00 N ATOM 1284 CA GLU A 82 -0.150 -1.291 -9.675 1.00 0.00 C ATOM 1285 C GLU A 82 1.113 -0.703 -9.037 1.00 0.00 C ATOM 1286 O GLU A 82 1.901 -0.034 -9.710 1.00 0.00 O ATOM 1287 CB GLU A 82 0.201 -2.075 -10.977 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.950 -2.915 -11.584 1.00 0.00 C ATOM 1289 CD GLU A 82 -2.119 -2.087 -12.151 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -2.010 -1.584 -13.287 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -3.146 -1.942 -11.463 1.00 0.00 O ATOM 0 H GLU A 82 -1.119 0.051 -10.947 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.605 -1.992 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.542 -1.362 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.039 -2.739 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.545 -3.540 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.336 -3.586 -10.817 1.00 0.00 H new ATOM 1298 N VAL A 83 1.252 -0.926 -7.725 1.00 0.00 N ATOM 1299 CA VAL A 83 2.409 -0.491 -6.922 1.00 0.00 C ATOM 1300 C VAL A 83 3.317 -1.696 -6.649 1.00 0.00 C ATOM 1301 O VAL A 83 2.922 -2.623 -5.941 1.00 0.00 O ATOM 1302 CB VAL A 83 1.925 0.149 -5.566 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.120 0.604 -4.682 1.00 0.00 C ATOM 1304 CG2 VAL A 83 0.947 1.308 -5.863 1.00 0.00 C ATOM 0 H VAL A 83 0.551 -1.424 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 83 2.968 0.264 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 83 1.397 -0.610 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.743 1.040 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.748 -0.256 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.708 1.348 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.612 1.751 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.452 2.066 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.086 0.926 -6.412 1.00 0.00 H new ATOM 1314 N THR A 84 4.521 -1.687 -7.231 1.00 0.00 N ATOM 1315 CA THR A 84 5.486 -2.774 -7.079 1.00 0.00 C ATOM 1316 C THR A 84 6.566 -2.400 -6.042 1.00 0.00 C ATOM 1317 O THR A 84 7.068 -1.265 -6.038 1.00 0.00 O ATOM 1318 CB THR A 84 6.151 -3.104 -8.454 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.141 -3.443 -9.417 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.141 -4.262 -8.352 1.00 0.00 C ATOM 0 H THR A 84 4.851 -0.923 -7.821 1.00 0.00 H new ATOM 0 HA THR A 84 4.956 -3.657 -6.723 1.00 0.00 H new ATOM 0 HB THR A 84 6.697 -2.214 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.564 -3.647 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.578 -4.455 -9.332 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.931 -4.004 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.622 -5.155 -8.004 1.00 0.00 H new ATOM 1328 N VAL A 85 6.886 -3.354 -5.152 1.00 0.00 N ATOM 1329 CA VAL A 85 8.062 -3.282 -4.265 1.00 0.00 C ATOM 1330 C VAL A 85 9.140 -4.225 -4.828 1.00 0.00 C ATOM 1331 O VAL A 85 8.880 -5.407 -5.051 1.00 0.00 O ATOM 1332 CB VAL A 85 7.713 -3.664 -2.777 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.969 -3.686 -1.887 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.667 -2.691 -2.194 1.00 0.00 C ATOM 0 H VAL A 85 6.334 -4.202 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 85 8.424 -2.254 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 85 7.292 -4.669 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.688 -3.953 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.676 -4.420 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.433 -2.700 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.441 -2.973 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.064 -1.676 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.756 -2.735 -2.791 1.00 0.00 H new ATOM 1344 N ASP A 86 10.334 -3.674 -5.073 1.00 0.00 N ATOM 1345 CA ASP A 86 11.484 -4.410 -5.622 1.00 0.00 C ATOM 1346 C ASP A 86 12.329 -4.968 -4.466 1.00 0.00 C ATOM 1347 O ASP A 86 12.196 -4.521 -3.326 1.00 0.00 O ATOM 1348 CB ASP A 86 12.312 -3.459 -6.526 1.00 0.00 C ATOM 1349 CG ASP A 86 13.489 -4.131 -7.261 1.00 0.00 C ATOM 1350 OD1 ASP A 86 14.576 -4.237 -6.673 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.328 -4.550 -8.430 1.00 0.00 O ATOM 0 H ASP A 86 10.534 -2.690 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 86 11.146 -5.250 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.647 -3.012 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.701 -2.645 -5.914 1.00 0.00 H new ATOM 1356 N SER A 87 13.214 -5.924 -4.790 1.00 0.00 N ATOM 1357 CA SER A 87 14.040 -6.666 -3.823 1.00 0.00 C ATOM 1358 C SER A 87 14.939 -5.745 -2.965 1.00 0.00 C ATOM 1359 O SER A 87 15.110 -5.993 -1.764 1.00 0.00 O ATOM 1360 CB SER A 87 14.899 -7.703 -4.578 1.00 0.00 C ATOM 1361 OG SER A 87 15.588 -8.580 -3.700 1.00 0.00 O ATOM 0 H SER A 87 13.379 -6.210 -5.755 1.00 0.00 H new ATOM 0 HA SER A 87 13.364 -7.167 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.260 -8.286 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.621 -7.183 -5.207 1.00 0.00 H new ATOM 0 HG SER A 87 15.764 -9.429 -4.157 1.00 0.00 H new ATOM 1367 N LYS A 88 15.488 -4.677 -3.573 1.00 0.00 N ATOM 1368 CA LYS A 88 16.452 -3.796 -2.882 1.00 0.00 C ATOM 1369 C LYS A 88 15.720 -2.781 -1.984 1.00 0.00 C ATOM 1370 O LYS A 88 16.148 -2.550 -0.843 1.00 0.00 O ATOM 1371 CB LYS A 88 17.427 -3.087 -3.873 1.00 0.00 C ATOM 1372 CG LYS A 88 18.509 -4.019 -4.498 1.00 0.00 C ATOM 1373 CD LYS A 88 17.983 -4.913 -5.647 1.00 0.00 C ATOM 1374 CE LYS A 88 17.728 -4.120 -6.938 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.050 -4.940 -7.973 1.00 0.00 N ATOM 0 H LYS A 88 15.284 -4.403 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 88 17.069 -4.430 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.844 -2.639 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.927 -2.272 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 88 19.328 -3.406 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.921 -4.656 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.705 -5.705 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.058 -5.397 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.117 -3.246 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.676 -3.753 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.384 -4.655 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.268 -5.945 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.022 -4.795 -7.912 1.00 0.00 H new ATOM 1389 N ASN A 89 14.598 -2.205 -2.470 1.00 0.00 N ATOM 1390 CA ASN A 89 13.796 -1.245 -1.662 1.00 0.00 C ATOM 1391 C ASN A 89 12.823 -1.975 -0.716 1.00 0.00 C ATOM 1392 O ASN A 89 12.096 -1.326 0.043 1.00 0.00 O ATOM 1393 CB ASN A 89 13.020 -0.222 -2.555 1.00 0.00 C ATOM 1394 CG ASN A 89 11.740 -0.769 -3.194 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.763 -1.283 -4.298 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.622 -0.648 -2.493 1.00 0.00 N ATOM 0 H ASN A 89 14.227 -2.381 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 89 14.508 -0.683 -1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.764 0.647 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.684 0.126 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.741 -0.991 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.643 -0.212 -1.571 1.00 0.00 H new ATOM 1403 N PHE A 90 12.828 -3.324 -0.769 1.00 0.00 N ATOM 1404 CA PHE A 90 11.938 -4.194 0.025 1.00 0.00 C ATOM 1405 C PHE A 90 12.088 -3.961 1.537 1.00 0.00 C ATOM 1406 O PHE A 90 11.132 -4.113 2.292 1.00 0.00 O ATOM 1407 CB PHE A 90 12.210 -5.679 -0.323 1.00 0.00 C ATOM 1408 CG PHE A 90 11.268 -6.661 0.356 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.003 -6.908 -0.163 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.635 -7.305 1.530 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.140 -7.782 0.462 1.00 0.00 C ATOM 1412 CE2 PHE A 90 10.770 -8.161 2.156 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.524 -8.409 1.623 1.00 0.00 C ATOM 0 H PHE A 90 13.461 -3.846 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 90 10.911 -3.939 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.134 -5.807 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.235 -5.924 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.692 -6.408 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.613 -7.129 1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.164 -7.974 0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.066 -8.646 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.851 -9.094 2.116 1.00 0.00 H new ATOM 1423 N LEU A 91 13.303 -3.590 1.953 1.00 0.00 N ATOM 1424 CA LEU A 91 13.641 -3.372 3.368 1.00 0.00 C ATOM 1425 C LEU A 91 13.005 -2.074 3.904 1.00 0.00 C ATOM 1426 O LEU A 91 12.808 -1.929 5.113 1.00 0.00 O ATOM 1427 CB LEU A 91 15.185 -3.381 3.560 1.00 0.00 C ATOM 1428 CG LEU A 91 15.902 -4.773 3.377 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.257 -5.855 4.284 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.945 -5.229 1.887 1.00 0.00 C ATOM 0 H LEU A 91 14.085 -3.431 1.317 1.00 0.00 H new ATOM 0 HA LEU A 91 13.224 -4.192 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.622 -2.675 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.408 -3.010 4.560 1.00 0.00 H new ATOM 0 HG LEU A 91 16.938 -4.642 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.770 -6.805 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.342 -5.553 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.205 -5.968 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.449 -6.193 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.928 -5.322 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.488 -4.491 1.296 1.00 0.00 H new ATOM 1442 N ASP A 92 12.667 -1.154 2.988 1.00 0.00 N ATOM 1443 CA ASP A 92 12.018 0.124 3.313 1.00 0.00 C ATOM 1444 C ASP A 92 10.514 0.026 3.010 1.00 0.00 C ATOM 1445 O ASP A 92 10.128 -0.252 1.868 1.00 0.00 O ATOM 1446 CB ASP A 92 12.658 1.282 2.501 1.00 0.00 C ATOM 1447 CG ASP A 92 14.160 1.426 2.784 1.00 0.00 C ATOM 1448 OD1 ASP A 92 14.966 0.707 2.148 1.00 0.00 O ATOM 1449 OD2 ASP A 92 14.548 2.235 3.661 1.00 0.00 O ATOM 0 H ASP A 92 12.839 -1.278 1.990 1.00 0.00 H new ATOM 0 HA ASP A 92 12.158 0.335 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.506 1.105 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.153 2.217 2.744 1.00 0.00 H new ATOM 1454 N LYS A 93 9.671 0.232 4.046 1.00 0.00 N ATOM 1455 CA LYS A 93 8.211 0.316 3.882 1.00 0.00 C ATOM 1456 C LYS A 93 7.857 1.653 3.194 1.00 0.00 C ATOM 1457 O LYS A 93 7.947 2.734 3.788 1.00 0.00 O ATOM 1458 CB LYS A 93 7.466 0.132 5.249 1.00 0.00 C ATOM 1459 CG LYS A 93 7.853 1.128 6.365 1.00 0.00 C ATOM 1460 CD LYS A 93 7.232 0.776 7.743 1.00 0.00 C ATOM 1461 CE LYS A 93 7.510 1.852 8.809 1.00 0.00 C ATOM 1462 NZ LYS A 93 6.905 3.159 8.442 1.00 0.00 N ATOM 0 H LYS A 93 9.985 0.343 5.010 1.00 0.00 H new ATOM 0 HA LYS A 93 7.871 -0.501 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.394 0.214 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.653 -0.879 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.939 1.154 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.534 2.129 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.155 0.650 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.631 -0.180 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.112 1.524 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.586 1.971 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.472 3.590 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.643 3.791 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.177 3.012 7.714 1.00 0.00 H new ATOM 1476 N GLN A 94 7.504 1.561 1.910 1.00 0.00 N ATOM 1477 CA GLN A 94 7.144 2.722 1.060 1.00 0.00 C ATOM 1478 C GLN A 94 5.650 3.098 1.235 1.00 0.00 C ATOM 1479 O GLN A 94 4.961 3.458 0.266 1.00 0.00 O ATOM 1480 CB GLN A 94 7.490 2.396 -0.423 1.00 0.00 C ATOM 1481 CG GLN A 94 6.888 1.082 -0.942 1.00 0.00 C ATOM 1482 CD GLN A 94 7.078 0.857 -2.440 1.00 0.00 C ATOM 1483 OE1 GLN A 94 8.079 0.301 -2.875 1.00 0.00 O ATOM 1484 NE2 GLN A 94 6.109 1.267 -3.233 1.00 0.00 N ATOM 0 H GLN A 94 7.456 0.670 1.415 1.00 0.00 H new ATOM 0 HA GLN A 94 7.723 3.592 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.142 3.215 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.574 2.351 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.338 0.250 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.822 1.069 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.288 1.727 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.180 1.124 -4.241 1.00 0.00 H new ATOM 1493 N ASN A 95 5.186 3.063 2.504 1.00 0.00 N ATOM 1494 CA ASN A 95 3.796 3.359 2.886 1.00 0.00 C ATOM 1495 C ASN A 95 3.433 4.828 2.597 1.00 0.00 C ATOM 1496 O ASN A 95 4.318 5.688 2.453 1.00 0.00 O ATOM 1497 CB ASN A 95 3.549 2.980 4.383 1.00 0.00 C ATOM 1498 CG ASN A 95 4.584 3.492 5.411 1.00 0.00 C ATOM 1499 OD1 ASN A 95 4.837 2.827 6.415 1.00 0.00 O ATOM 1500 ND2 ASN A 95 5.184 4.659 5.205 1.00 0.00 N ATOM 0 H ASN A 95 5.778 2.825 3.299 1.00 0.00 H new ATOM 0 HA ASN A 95 3.134 2.746 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.568 3.357 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.507 1.893 4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.861 5.011 5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.968 5.203 4.370 1.00 0.00 H new ATOM 1507 N ARG A 96 2.135 5.109 2.527 1.00 0.00 N ATOM 1508 CA ARG A 96 1.621 6.418 2.099 1.00 0.00 C ATOM 1509 C ARG A 96 0.317 6.750 2.851 1.00 0.00 C ATOM 1510 O ARG A 96 -0.244 5.899 3.556 1.00 0.00 O ATOM 1511 CB ARG A 96 1.420 6.382 0.550 1.00 0.00 C ATOM 1512 CG ARG A 96 1.102 7.741 -0.114 1.00 0.00 C ATOM 1513 CD ARG A 96 2.233 8.770 0.044 1.00 0.00 C ATOM 1514 NE ARG A 96 1.887 10.069 -0.557 1.00 0.00 N ATOM 1515 CZ ARG A 96 2.599 10.715 -1.495 1.00 0.00 C ATOM 1516 NH1 ARG A 96 3.722 10.193 -1.978 1.00 0.00 N ATOM 1517 NH2 ARG A 96 2.193 11.889 -1.921 1.00 0.00 N ATOM 0 H ARG A 96 1.404 4.438 2.765 1.00 0.00 H new ATOM 0 HA ARG A 96 2.330 7.210 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.324 5.978 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.610 5.689 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.908 7.583 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.188 8.146 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.452 8.908 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.140 8.385 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 96 1.031 10.518 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.053 9.291 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.253 10.695 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.343 12.304 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.728 12.386 -2.633 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.141 8.003 2.727 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.391 8.477 3.324 1.00 0.00 C ATOM 1533 C GLU A 97 -2.265 9.141 2.239 1.00 0.00 C ATOM 1534 O GLU A 97 -1.789 10.027 1.521 1.00 0.00 O ATOM 1535 CB GLU A 97 -1.063 9.496 4.438 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.270 9.900 5.297 1.00 0.00 C ATOM 1537 CD GLU A 97 -2.005 11.153 6.144 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -2.089 12.273 5.594 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -1.726 11.030 7.355 1.00 0.00 O ATOM 0 H GLU A 97 0.355 8.723 2.202 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.939 7.637 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.295 9.074 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.639 10.391 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.128 10.080 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.536 9.072 5.954 1.00 0.00 H new ATOM 1546 N GLU A 98 -3.521 8.693 2.101 1.00 0.00 N ATOM 1547 CA GLU A 98 -4.528 9.372 1.269 1.00 0.00 C ATOM 1548 C GLU A 98 -5.471 10.185 2.159 1.00 0.00 C ATOM 1549 O GLU A 98 -6.088 9.654 3.081 1.00 0.00 O ATOM 1550 CB GLU A 98 -5.351 8.369 0.419 1.00 0.00 C ATOM 1551 CG GLU A 98 -4.616 7.746 -0.776 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.222 8.766 -1.864 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -5.028 9.007 -2.789 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -3.102 9.330 -1.805 1.00 0.00 O ATOM 0 H GLU A 98 -3.868 7.852 2.561 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.998 10.033 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.693 7.565 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.240 8.879 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.717 7.246 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.250 6.980 -1.222 1.00 0.00 H new ATOM 1561 N THR A 99 -5.551 11.477 1.881 1.00 0.00 N ATOM 1562 CA THR A 99 -6.516 12.378 2.500 1.00 0.00 C ATOM 1563 C THR A 99 -7.559 12.771 1.453 1.00 0.00 C ATOM 1564 O THR A 99 -7.223 13.484 0.499 1.00 0.00 O ATOM 1565 CB THR A 99 -5.802 13.660 3.042 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.627 13.275 3.770 1.00 0.00 O ATOM 1567 CG2 THR A 99 -6.729 14.481 3.961 1.00 0.00 C ATOM 0 H THR A 99 -4.938 11.938 1.208 1.00 0.00 H new ATOM 0 HA THR A 99 -6.996 11.874 3.339 1.00 0.00 H new ATOM 0 HB THR A 99 -5.533 14.285 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.841 12.525 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.198 15.364 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.613 14.790 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.031 13.871 4.812 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.810 12.290 1.581 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.892 12.722 0.666 1.00 0.00 C ATOM 1577 C VAL A 100 -10.490 14.020 1.236 1.00 0.00 C ATOM 1578 O VAL A 100 -10.586 14.175 2.462 1.00 0.00 O ATOM 1579 CB VAL A 100 -11.007 11.620 0.416 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -10.402 10.191 0.405 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -12.198 11.718 1.393 1.00 0.00 C ATOM 0 H VAL A 100 -9.096 11.617 2.292 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.463 12.891 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.412 11.826 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.194 9.462 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.659 10.116 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.927 9.989 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.921 10.935 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.841 11.595 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.674 12.693 1.290 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.836 14.966 0.354 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.368 16.285 0.750 1.00 0.00 C ATOM 1593 C ILE A 101 -12.756 16.501 0.124 1.00 0.00 C ATOM 1594 O ILE A 101 -12.875 16.683 -1.087 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.373 17.449 0.354 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.965 17.251 1.029 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.961 18.835 0.708 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.977 17.199 2.558 1.00 0.00 C ATOM 0 H ILE A 101 -10.757 14.843 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.470 16.305 1.835 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.237 17.408 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.527 16.326 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.311 18.064 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.253 19.614 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.897 18.981 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.147 18.888 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.960 17.060 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.380 18.132 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.599 16.367 2.889 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.797 16.450 0.972 1.00 0.00 N ATOM 1611 CA TYR A 102 -15.179 16.675 0.571 1.00 0.00 C ATOM 1612 C TYR A 102 -15.394 18.172 0.386 1.00 0.00 C ATOM 1613 O TYR A 102 -15.460 18.932 1.362 1.00 0.00 O ATOM 1614 CB TYR A 102 -16.168 16.110 1.618 1.00 0.00 C ATOM 1615 CG TYR A 102 -16.133 14.591 1.752 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.807 13.774 0.841 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -15.419 13.970 2.772 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.762 12.404 0.950 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -15.378 12.606 2.877 1.00 0.00 C ATOM 1620 CZ TYR A 102 -16.045 11.828 1.967 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.992 10.474 2.080 1.00 0.00 O ATOM 0 H TYR A 102 -13.691 16.248 1.966 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.369 16.153 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.947 16.555 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -17.179 16.417 1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -17.372 14.225 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.888 14.574 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -17.288 11.785 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.820 12.143 3.677 1.00 0.00 H new ATOM 0 HH TYR A 102 -15.200 10.220 2.598 1.00 0.00 H new ATOM 1631 N SER A 103 -15.520 18.575 -0.867 1.00 0.00 N ATOM 1632 CA SER A 103 -15.646 19.974 -1.262 1.00 0.00 C ATOM 1633 C SER A 103 -17.076 20.200 -1.738 1.00 0.00 C ATOM 1634 O SER A 103 -17.650 19.304 -2.365 1.00 0.00 O ATOM 1635 CB SER A 103 -14.632 20.291 -2.383 1.00 0.00 C ATOM 1636 OG SER A 103 -14.795 19.426 -3.503 1.00 0.00 O ATOM 0 H SER A 103 -15.538 17.929 -1.656 1.00 0.00 H new ATOM 0 HA SER A 103 -15.432 20.636 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.755 21.326 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.618 20.195 -1.994 1.00 0.00 H new ATOM 0 HG SER A 103 -14.138 19.657 -4.193 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.640 21.380 -1.408 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.008 21.764 -1.780 1.00 0.00 C ATOM 1644 C ALA A 104 -19.241 21.538 -3.277 1.00 0.00 C ATOM 1645 O ALA A 104 -18.452 22.016 -4.101 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.277 23.233 -1.405 1.00 0.00 C ATOM 0 H ALA A 104 -17.150 22.096 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.705 21.135 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.295 23.500 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.153 23.363 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.573 23.878 -1.931 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.289 20.757 -3.600 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.676 20.427 -4.988 1.00 0.00 C ATOM 1654 C ASN A 105 -21.239 21.685 -5.718 1.00 0.00 C ATOM 1655 O ASN A 105 -20.716 22.785 -5.528 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.644 19.201 -5.006 1.00 0.00 C ATOM 1657 CG ASN A 105 -22.997 19.379 -4.314 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -23.469 20.491 -4.090 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -23.664 18.264 -4.043 1.00 0.00 N ATOM 0 H ASN A 105 -20.897 20.333 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.793 20.126 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.827 18.928 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -21.133 18.358 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -24.598 18.315 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -23.243 17.357 -4.242 1.00 0.00 H new