USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 679 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl -106:sc= -0.667 (180deg=-2.83!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.598) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 138:sc= -3.08! (180deg=-6.34!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -15.2! C(o=-20!,f=-24!) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -4.53! C(o=-20!,f=-20!) USER MOD Set 4.1: A 22 SER OG : rot -30:sc= 0.309 USER MOD Set 4.2: A 44 CYS SG : rot 120:sc= -5.47! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc=-0.00568 (180deg=-0.338) USER MOD Single : A 6 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00334) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -0.0622 (180deg=-0.686) USER MOD Single : A 12 MET CE :methyl 169:sc= -0.954 (180deg=-1.67) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00105 USER MOD Single : A 15 TYR OH : rot 177:sc= -2 USER MOD Single : A 20 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.7) USER MOD Single : A 21 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.283 (180deg=-1.04) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.37! K(o=-4.4!,f=-0.51) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.285) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 160:sc= -0.307 (180deg=-1.47) USER MOD Single : A 52 SER OG : rot 180:sc= -0.135 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= -1.64 (180deg=-1.66) USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= -0.278 (180deg=-1.38!) USER MOD Single : A 62 MET CE :methyl 133:sc= -0.199 (180deg=-0.829) USER MOD Single : A 64 LYS NZ :NH3+ -131:sc= -1.24 (180deg=-3.49!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -39:sc= 0.873 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= -0.171 (180deg=-1.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.717 -22.948 11.251 1.00 0.00 N ATOM 2 CA GLY A 1 -17.036 -24.050 11.986 1.00 0.00 C ATOM 3 C GLY A 1 -15.997 -24.716 11.079 1.00 0.00 C ATOM 4 O GLY A 1 -14.833 -24.792 11.422 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.421 -22.500 11.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.014 -22.240 10.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.192 -23.333 10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.553 -23.658 12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.769 -24.786 12.316 1.00 0.00 H new ATOM 10 N LYS A 2 -16.444 -25.186 9.939 1.00 0.00 N ATOM 11 CA LYS A 2 -15.504 -25.851 8.993 1.00 0.00 C ATOM 12 C LYS A 2 -14.741 -24.817 8.174 1.00 0.00 C ATOM 13 O LYS A 2 -14.652 -24.924 6.966 1.00 0.00 O ATOM 14 CB LYS A 2 -16.323 -26.726 8.031 1.00 0.00 C ATOM 15 CG LYS A 2 -17.198 -27.682 8.840 1.00 0.00 C ATOM 16 CD LYS A 2 -17.977 -28.581 7.880 1.00 0.00 C ATOM 17 CE LYS A 2 -19.080 -29.303 8.653 1.00 0.00 C ATOM 18 NZ LYS A 2 -18.510 -30.020 9.826 1.00 0.00 N ATOM 0 H LYS A 2 -17.414 -25.137 9.627 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.791 -26.448 9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.944 -26.100 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.657 -27.289 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.580 -28.287 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.886 -27.119 9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.410 -27.986 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.307 -29.305 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.828 -28.584 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.588 -30.011 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.187 -30.736 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.621 -30.485 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.323 -29.341 10.591 1.00 0.00 H new ATOM 32 N GLY A 3 -14.204 -23.834 8.842 1.00 0.00 N ATOM 33 CA GLY A 3 -13.443 -22.787 8.113 1.00 0.00 C ATOM 34 C GLY A 3 -14.387 -21.939 7.261 1.00 0.00 C ATOM 35 O GLY A 3 -15.510 -22.326 7.003 1.00 0.00 O ATOM 0 H GLY A 3 -14.259 -23.712 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.914 -22.152 8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.689 -23.252 7.478 1.00 0.00 H new ATOM 39 N ASP A 4 -13.903 -20.791 6.845 1.00 0.00 N ATOM 40 CA ASP A 4 -14.735 -19.888 6.008 1.00 0.00 C ATOM 41 C ASP A 4 -13.836 -18.972 5.172 1.00 0.00 C ATOM 42 O ASP A 4 -13.766 -17.785 5.415 1.00 0.00 O ATOM 43 CB ASP A 4 -15.583 -19.011 6.948 1.00 0.00 C ATOM 44 CG ASP A 4 -16.669 -19.868 7.604 1.00 0.00 C ATOM 45 OD1 ASP A 4 -17.662 -20.091 6.931 1.00 0.00 O ATOM 46 OD2 ASP A 4 -16.445 -20.250 8.740 1.00 0.00 O ATOM 0 H ASP A 4 -12.966 -20.447 7.053 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.365 -20.480 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.950 -18.560 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.038 -18.194 6.388 1.00 0.00 H new ATOM 51 N PRO A 5 -13.150 -19.548 4.184 1.00 0.00 N ATOM 52 CA PRO A 5 -12.266 -18.764 3.333 1.00 0.00 C ATOM 53 C PRO A 5 -13.008 -17.582 2.712 1.00 0.00 C ATOM 54 O PRO A 5 -12.407 -16.725 2.094 1.00 0.00 O ATOM 55 CB PRO A 5 -11.758 -19.758 2.241 1.00 0.00 C ATOM 56 CG PRO A 5 -12.284 -21.179 2.639 1.00 0.00 C ATOM 57 CD PRO A 5 -13.232 -20.991 3.854 1.00 0.00 C ATOM 0 HA PRO A 5 -11.438 -18.331 3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.127 -19.471 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.669 -19.750 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.813 -21.641 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.455 -21.839 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.253 -21.282 3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.920 -21.607 4.697 1.00 0.00 H new ATOM 65 N LYS A 6 -14.299 -17.559 2.885 1.00 0.00 N ATOM 66 CA LYS A 6 -15.078 -16.439 2.311 1.00 0.00 C ATOM 67 C LYS A 6 -14.684 -15.160 3.028 1.00 0.00 C ATOM 68 O LYS A 6 -15.136 -14.080 2.702 1.00 0.00 O ATOM 69 CB LYS A 6 -16.590 -16.705 2.534 1.00 0.00 C ATOM 70 CG LYS A 6 -16.891 -18.199 2.340 1.00 0.00 C ATOM 71 CD LYS A 6 -16.387 -18.649 0.963 1.00 0.00 C ATOM 72 CE LYS A 6 -16.876 -20.076 0.682 1.00 0.00 C ATOM 73 NZ LYS A 6 -18.294 -20.062 0.223 1.00 0.00 N ATOM 0 H LYS A 6 -14.839 -18.259 3.393 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.877 -16.348 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.879 -16.394 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.180 -16.112 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.408 -18.783 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.963 -18.378 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.750 -17.970 0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.298 -18.613 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.246 -20.539 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.786 -20.682 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.598 -21.032 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.898 -19.670 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.377 -19.473 -0.630 1.00 0.00 H new ATOM 87 N LYS A 7 -13.833 -15.329 3.999 1.00 0.00 N ATOM 88 CA LYS A 7 -13.357 -14.182 4.785 1.00 0.00 C ATOM 89 C LYS A 7 -12.713 -13.106 3.861 1.00 0.00 C ATOM 90 O LYS A 7 -11.898 -13.441 3.026 1.00 0.00 O ATOM 91 CB LYS A 7 -12.276 -14.723 5.738 1.00 0.00 C ATOM 92 CG LYS A 7 -11.886 -13.648 6.748 1.00 0.00 C ATOM 93 CD LYS A 7 -10.927 -14.259 7.767 1.00 0.00 C ATOM 94 CE LYS A 7 -10.359 -13.145 8.644 1.00 0.00 C ATOM 95 NZ LYS A 7 -11.448 -12.232 9.092 1.00 0.00 N ATOM 0 H LYS A 7 -13.447 -16.231 4.278 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.187 -13.719 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.647 -15.606 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.400 -15.034 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.413 -12.807 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.773 -13.260 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.448 -14.993 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.120 -14.785 7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.857 -13.575 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.609 -12.582 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.147 -11.727 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.656 -11.544 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.303 -12.787 9.299 1.00 0.00 H new ATOM 109 N PRO A 8 -13.083 -11.818 4.016 1.00 0.00 N ATOM 110 CA PRO A 8 -12.503 -10.771 3.171 1.00 0.00 C ATOM 111 C PRO A 8 -10.965 -10.770 3.259 1.00 0.00 C ATOM 112 O PRO A 8 -10.387 -11.421 4.109 1.00 0.00 O ATOM 113 CB PRO A 8 -13.087 -9.431 3.727 1.00 0.00 C ATOM 114 CG PRO A 8 -14.120 -9.804 4.845 1.00 0.00 C ATOM 115 CD PRO A 8 -14.082 -11.344 5.008 1.00 0.00 C ATOM 0 HA PRO A 8 -12.746 -10.923 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.293 -8.804 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.569 -8.862 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.866 -9.311 5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.121 -9.471 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.795 -11.625 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.062 -11.784 4.821 1.00 0.00 H new ATOM 123 N ARG A 9 -10.341 -10.030 2.372 1.00 0.00 N ATOM 124 CA ARG A 9 -8.851 -9.960 2.368 1.00 0.00 C ATOM 125 C ARG A 9 -8.343 -8.970 3.385 1.00 0.00 C ATOM 126 O ARG A 9 -7.162 -8.931 3.676 1.00 0.00 O ATOM 127 CB ARG A 9 -8.404 -9.508 0.957 1.00 0.00 C ATOM 128 CG ARG A 9 -6.878 -9.288 0.931 1.00 0.00 C ATOM 129 CD ARG A 9 -6.371 -9.372 -0.516 1.00 0.00 C ATOM 130 NE ARG A 9 -4.888 -9.199 -0.522 1.00 0.00 N ATOM 131 CZ ARG A 9 -4.122 -10.202 -0.183 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.676 -11.333 0.155 1.00 0.00 N ATOM 133 NH2 ARG A 9 -2.826 -10.039 -0.200 1.00 0.00 N ATOM 0 H ARG A 9 -10.802 -9.473 1.653 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.446 -10.939 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.684 -10.261 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.917 -8.586 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.633 -8.315 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.381 -10.039 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.640 -10.333 -0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.842 -8.601 -1.126 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.476 -8.305 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.692 -11.424 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.093 -12.126 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.429 -9.141 -0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.212 -10.810 0.061 1.00 0.00 H new ATOM 147 N GLY A 10 -9.238 -8.201 3.933 1.00 0.00 N ATOM 148 CA GLY A 10 -8.819 -7.202 4.939 1.00 0.00 C ATOM 149 C GLY A 10 -8.332 -5.951 4.218 1.00 0.00 C ATOM 150 O GLY A 10 -7.242 -5.934 3.681 1.00 0.00 O ATOM 0 H GLY A 10 -10.237 -8.224 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.653 -6.957 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.026 -7.608 5.566 1.00 0.00 H new ATOM 154 N LYS A 11 -9.167 -4.937 4.208 1.00 0.00 N ATOM 155 CA LYS A 11 -8.784 -3.665 3.524 1.00 0.00 C ATOM 156 C LYS A 11 -7.369 -3.218 3.913 1.00 0.00 C ATOM 157 O LYS A 11 -7.157 -2.627 4.954 1.00 0.00 O ATOM 158 CB LYS A 11 -9.821 -2.545 3.891 1.00 0.00 C ATOM 159 CG LYS A 11 -10.620 -2.944 5.145 1.00 0.00 C ATOM 160 CD LYS A 11 -11.293 -1.701 5.737 1.00 0.00 C ATOM 161 CE LYS A 11 -12.063 -2.097 7.000 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.688 -0.897 7.626 1.00 0.00 N ATOM 0 H LYS A 11 -10.090 -4.937 4.642 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.790 -3.840 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.302 -1.603 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.501 -2.382 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.372 -3.691 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.958 -3.398 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.544 -0.946 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.971 -1.258 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.833 -2.827 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.388 -2.575 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.555 -0.934 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.241 -0.037 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.705 -0.882 7.408 1.00 0.00 H new ATOM 176 N MET A 12 -6.433 -3.520 3.052 1.00 0.00 N ATOM 177 CA MET A 12 -5.026 -3.140 3.317 1.00 0.00 C ATOM 178 C MET A 12 -4.911 -1.641 3.560 1.00 0.00 C ATOM 179 O MET A 12 -5.744 -0.871 3.119 1.00 0.00 O ATOM 180 CB MET A 12 -4.194 -3.498 2.052 1.00 0.00 C ATOM 181 CG MET A 12 -3.624 -4.910 2.181 1.00 0.00 C ATOM 182 SD MET A 12 -2.908 -5.646 0.692 1.00 0.00 S ATOM 183 CE MET A 12 -2.231 -4.121 -0.022 1.00 0.00 C ATOM 0 H MET A 12 -6.589 -4.016 2.174 1.00 0.00 H new ATOM 0 HA MET A 12 -4.666 -3.668 4.200 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.822 -3.431 1.163 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.383 -2.780 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.856 -4.896 2.955 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.420 -5.566 2.534 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.573 -4.370 -0.855 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.047 -3.493 -0.379 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.665 -3.583 0.739 1.00 0.00 H new ATOM 193 N SER A 13 -3.877 -1.255 4.251 1.00 0.00 N ATOM 194 CA SER A 13 -3.685 0.180 4.529 1.00 0.00 C ATOM 195 C SER A 13 -3.138 0.866 3.290 1.00 0.00 C ATOM 196 O SER A 13 -2.612 0.218 2.406 1.00 0.00 O ATOM 197 CB SER A 13 -2.662 0.323 5.669 1.00 0.00 C ATOM 198 OG SER A 13 -3.371 -0.091 6.827 1.00 0.00 O ATOM 0 H SER A 13 -3.162 -1.875 4.632 1.00 0.00 H new ATOM 0 HA SER A 13 -4.635 0.635 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.784 -0.299 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.311 1.351 5.763 1.00 0.00 H new ATOM 0 HG SER A 13 -2.783 -0.031 7.609 1.00 0.00 H new ATOM 204 N SER A 14 -3.267 2.154 3.236 1.00 0.00 N ATOM 205 CA SER A 14 -2.756 2.871 2.060 1.00 0.00 C ATOM 206 C SER A 14 -1.271 2.610 1.901 1.00 0.00 C ATOM 207 O SER A 14 -0.734 2.688 0.814 1.00 0.00 O ATOM 208 CB SER A 14 -3.002 4.364 2.281 1.00 0.00 C ATOM 209 OG SER A 14 -2.215 4.680 3.411 1.00 0.00 O ATOM 0 H SER A 14 -3.702 2.734 3.953 1.00 0.00 H new ATOM 0 HA SER A 14 -3.262 2.531 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.704 4.950 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.057 4.572 2.459 1.00 0.00 H new ATOM 0 HG SER A 14 -2.314 5.632 3.623 1.00 0.00 H new ATOM 215 N TYR A 15 -0.632 2.301 2.997 1.00 0.00 N ATOM 216 CA TYR A 15 0.819 2.024 2.944 1.00 0.00 C ATOM 217 C TYR A 15 1.029 0.632 2.402 1.00 0.00 C ATOM 218 O TYR A 15 1.804 0.423 1.495 1.00 0.00 O ATOM 219 CB TYR A 15 1.394 2.097 4.388 1.00 0.00 C ATOM 220 CG TYR A 15 2.781 1.423 4.441 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.701 1.608 3.421 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.108 0.584 5.484 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.909 0.969 3.447 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.327 -0.055 5.504 1.00 0.00 C ATOM 225 CZ TYR A 15 5.231 0.132 4.483 1.00 0.00 C ATOM 226 OH TYR A 15 6.423 -0.530 4.485 1.00 0.00 O ATOM 0 H TYR A 15 -1.057 2.230 3.922 1.00 0.00 H new ATOM 0 HA TYR A 15 1.319 2.752 2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.474 3.137 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.715 1.604 5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.461 2.264 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.405 0.427 6.289 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.615 1.125 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.576 -0.708 6.327 1.00 0.00 H new ATOM 0 HH TYR A 15 6.511 -1.042 5.316 1.00 0.00 H new ATOM 236 N ALA A 16 0.345 -0.299 2.988 1.00 0.00 N ATOM 237 CA ALA A 16 0.477 -1.687 2.532 1.00 0.00 C ATOM 238 C ALA A 16 0.228 -1.778 1.036 1.00 0.00 C ATOM 239 O ALA A 16 0.719 -2.669 0.378 1.00 0.00 O ATOM 240 CB ALA A 16 -0.563 -2.536 3.261 1.00 0.00 C ATOM 0 H ALA A 16 -0.300 -0.152 3.765 1.00 0.00 H new ATOM 0 HA ALA A 16 1.485 -2.043 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.480 -3.573 2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.390 -2.479 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.562 -2.163 3.034 1.00 0.00 H new ATOM 246 N PHE A 17 -0.536 -0.841 0.518 1.00 0.00 N ATOM 247 CA PHE A 17 -0.818 -0.868 -0.939 1.00 0.00 C ATOM 248 C PHE A 17 0.433 -0.498 -1.694 1.00 0.00 C ATOM 249 O PHE A 17 0.697 -1.005 -2.763 1.00 0.00 O ATOM 250 CB PHE A 17 -1.948 0.176 -1.236 1.00 0.00 C ATOM 251 CG PHE A 17 -3.248 -0.542 -1.599 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.483 -0.946 -2.899 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.214 -0.770 -0.637 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.664 -1.565 -3.233 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.394 -1.390 -0.975 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.619 -1.786 -2.274 1.00 0.00 C ATOM 0 H PHE A 17 -0.965 -0.076 1.038 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.138 -1.863 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.106 0.810 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.644 0.829 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.734 -0.774 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.042 -0.460 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.840 -1.878 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.146 -1.567 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.547 -2.271 -2.538 1.00 0.00 H new ATOM 266 N PHE A 18 1.179 0.380 -1.117 1.00 0.00 N ATOM 267 CA PHE A 18 2.429 0.812 -1.769 1.00 0.00 C ATOM 268 C PHE A 18 3.480 -0.265 -1.591 1.00 0.00 C ATOM 269 O PHE A 18 4.465 -0.290 -2.304 1.00 0.00 O ATOM 270 CB PHE A 18 2.883 2.150 -1.125 1.00 0.00 C ATOM 271 CG PHE A 18 4.377 2.391 -1.365 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.320 1.813 -0.538 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.801 3.205 -2.400 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.660 2.045 -0.743 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.144 3.434 -2.600 1.00 0.00 C ATOM 276 CZ PHE A 18 7.071 2.854 -1.770 1.00 0.00 C ATOM 0 H PHE A 18 0.979 0.820 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 18 2.277 0.968 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.305 2.974 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.681 2.130 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.003 1.175 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.075 3.663 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.391 1.588 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.468 4.070 -3.410 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.124 3.035 -1.926 1.00 0.00 H new ATOM 286 N VAL A 19 3.250 -1.151 -0.627 1.00 0.00 N ATOM 287 CA VAL A 19 4.223 -2.235 -0.393 1.00 0.00 C ATOM 288 C VAL A 19 3.964 -3.335 -1.344 1.00 0.00 C ATOM 289 O VAL A 19 4.863 -3.832 -1.928 1.00 0.00 O ATOM 290 CB VAL A 19 4.095 -2.784 1.047 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.039 -4.001 1.210 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.516 -1.690 2.033 1.00 0.00 C ATOM 0 H VAL A 19 2.436 -1.152 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 19 5.227 -1.836 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 19 3.066 -3.086 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.954 -4.394 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.760 -4.776 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.068 -3.691 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.430 -2.066 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.549 -1.403 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.869 -0.821 1.911 1.00 0.00 H new ATOM 302 N GLN A 20 2.726 -3.713 -1.481 1.00 0.00 N ATOM 303 CA GLN A 20 2.431 -4.802 -2.421 1.00 0.00 C ATOM 304 C GLN A 20 2.893 -4.376 -3.793 1.00 0.00 C ATOM 305 O GLN A 20 3.182 -5.184 -4.650 1.00 0.00 O ATOM 306 CB GLN A 20 0.893 -5.114 -2.388 1.00 0.00 C ATOM 307 CG GLN A 20 0.097 -4.258 -3.428 1.00 0.00 C ATOM 308 CD GLN A 20 -0.086 -5.035 -4.747 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.655 -5.942 -5.064 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.068 -4.705 -5.539 1.00 0.00 N ATOM 0 H GLN A 20 1.925 -3.318 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 20 2.955 -5.717 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.734 -6.173 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.506 -4.921 -1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.878 -3.993 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.627 -3.325 -3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.697 -3.944 -5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.207 -5.208 -6.415 1.00 0.00 H new ATOM 319 N THR A 21 2.975 -3.076 -3.957 1.00 0.00 N ATOM 320 CA THR A 21 3.416 -2.528 -5.245 1.00 0.00 C ATOM 321 C THR A 21 4.918 -2.585 -5.298 1.00 0.00 C ATOM 322 O THR A 21 5.502 -2.782 -6.346 1.00 0.00 O ATOM 323 CB THR A 21 2.955 -1.074 -5.344 1.00 0.00 C ATOM 324 OG1 THR A 21 1.543 -1.125 -5.318 1.00 0.00 O ATOM 325 CG2 THR A 21 3.292 -0.496 -6.715 1.00 0.00 C ATOM 0 H THR A 21 2.751 -2.383 -3.243 1.00 0.00 H new ATOM 0 HA THR A 21 2.995 -3.101 -6.071 1.00 0.00 H new ATOM 0 HB THR A 21 3.417 -0.484 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.227 -0.971 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.956 0.540 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.370 -0.536 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.791 -1.078 -7.488 1.00 0.00 H new ATOM 333 N SER A 22 5.523 -2.418 -4.144 1.00 0.00 N ATOM 334 CA SER A 22 7.003 -2.460 -4.074 1.00 0.00 C ATOM 335 C SER A 22 7.448 -3.903 -3.933 1.00 0.00 C ATOM 336 O SER A 22 8.595 -4.216 -4.112 1.00 0.00 O ATOM 337 CB SER A 22 7.457 -1.683 -2.826 1.00 0.00 C ATOM 338 OG SER A 22 8.877 -1.681 -2.914 1.00 0.00 O ATOM 0 H SER A 22 5.049 -2.255 -3.255 1.00 0.00 H new ATOM 0 HA SER A 22 7.434 -2.021 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.057 -0.669 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.115 -2.165 -1.910 1.00 0.00 H new ATOM 0 HG SER A 22 9.177 -2.492 -3.374 1.00 0.00 H new ATOM 344 N ARG A 23 6.489 -4.750 -3.628 1.00 0.00 N ATOM 345 CA ARG A 23 6.760 -6.205 -3.451 1.00 0.00 C ATOM 346 C ARG A 23 6.993 -6.894 -4.768 1.00 0.00 C ATOM 347 O ARG A 23 8.039 -7.452 -4.997 1.00 0.00 O ATOM 348 CB ARG A 23 5.526 -6.830 -2.791 1.00 0.00 C ATOM 349 CG ARG A 23 5.811 -8.299 -2.401 1.00 0.00 C ATOM 350 CD ARG A 23 4.955 -8.671 -1.181 1.00 0.00 C ATOM 351 NE ARG A 23 4.813 -10.153 -1.113 1.00 0.00 N ATOM 352 CZ ARG A 23 3.840 -10.677 -0.411 1.00 0.00 C ATOM 353 NH1 ARG A 23 3.012 -9.886 0.215 1.00 0.00 N ATOM 354 NH2 ARG A 23 3.732 -11.976 -0.364 1.00 0.00 N ATOM 0 H ARG A 23 5.514 -4.483 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 23 7.657 -6.324 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.251 -6.258 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.678 -6.786 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.582 -8.961 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.869 -8.429 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.419 -8.296 -0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.973 -8.203 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 23 5.469 -10.755 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.128 -8.874 0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.249 -10.279 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.398 -12.562 -0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.982 -12.406 0.177 1.00 0.00 H new ATOM 368 N GLU A 24 5.998 -6.868 -5.597 1.00 0.00 N ATOM 369 CA GLU A 24 6.136 -7.519 -6.918 1.00 0.00 C ATOM 370 C GLU A 24 7.365 -6.984 -7.631 1.00 0.00 C ATOM 371 O GLU A 24 7.961 -7.659 -8.449 1.00 0.00 O ATOM 372 CB GLU A 24 4.888 -7.195 -7.753 1.00 0.00 C ATOM 373 CG GLU A 24 3.677 -7.894 -7.131 1.00 0.00 C ATOM 374 CD GLU A 24 2.455 -7.695 -8.029 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.017 -6.559 -8.106 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.027 -8.690 -8.590 1.00 0.00 O ATOM 0 H GLU A 24 5.097 -6.425 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 24 6.239 -8.596 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.726 -6.118 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.027 -7.527 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.881 -8.958 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.481 -7.490 -6.138 1.00 0.00 H new ATOM 383 N GLU A 25 7.721 -5.769 -7.292 1.00 0.00 N ATOM 384 CA GLU A 25 8.899 -5.134 -7.912 1.00 0.00 C ATOM 385 C GLU A 25 10.179 -5.568 -7.196 1.00 0.00 C ATOM 386 O GLU A 25 11.252 -5.561 -7.769 1.00 0.00 O ATOM 387 CB GLU A 25 8.728 -3.608 -7.779 1.00 0.00 C ATOM 388 CG GLU A 25 7.725 -3.121 -8.829 1.00 0.00 C ATOM 389 CD GLU A 25 7.683 -1.592 -8.815 1.00 0.00 C ATOM 390 OE1 GLU A 25 7.273 -1.070 -7.791 1.00 0.00 O ATOM 391 OE2 GLU A 25 8.066 -1.031 -9.829 1.00 0.00 O ATOM 0 H GLU A 25 7.234 -5.194 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 25 8.977 -5.430 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.377 -3.355 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.687 -3.109 -7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.012 -3.480 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.735 -3.526 -8.619 1.00 0.00 H new ATOM 398 N HIS A 26 10.028 -5.935 -5.952 1.00 0.00 N ATOM 399 CA HIS A 26 11.205 -6.381 -5.146 1.00 0.00 C ATOM 400 C HIS A 26 11.517 -7.853 -5.427 1.00 0.00 C ATOM 401 O HIS A 26 12.648 -8.267 -5.375 1.00 0.00 O ATOM 402 CB HIS A 26 10.825 -6.181 -3.639 1.00 0.00 C ATOM 403 CG HIS A 26 11.441 -7.251 -2.730 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.264 -7.026 -1.822 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.185 -8.603 -2.673 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.558 -8.084 -1.193 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.916 -9.151 -1.669 1.00 0.00 N ATOM 0 H HIS A 26 9.137 -5.946 -5.456 1.00 0.00 H new ATOM 0 HA HIS A 26 12.094 -5.805 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.157 -5.196 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.740 -6.202 -3.536 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.651 -6.106 -1.612 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.511 -9.141 -3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.250 -8.119 -0.365 1.00 0.00 H new ATOM 415 N LYS A 27 10.512 -8.606 -5.732 1.00 0.00 N ATOM 416 CA LYS A 27 10.745 -10.034 -6.011 1.00 0.00 C ATOM 417 C LYS A 27 11.663 -10.206 -7.230 1.00 0.00 C ATOM 418 O LYS A 27 12.072 -11.305 -7.553 1.00 0.00 O ATOM 419 CB LYS A 27 9.371 -10.693 -6.294 1.00 0.00 C ATOM 420 CG LYS A 27 9.428 -12.182 -5.922 1.00 0.00 C ATOM 421 CD LYS A 27 8.172 -12.895 -6.453 1.00 0.00 C ATOM 422 CE LYS A 27 6.934 -12.452 -5.655 1.00 0.00 C ATOM 423 NZ LYS A 27 7.203 -12.493 -4.190 1.00 0.00 N ATOM 0 H LYS A 27 9.543 -8.296 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 27 11.231 -10.503 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.591 -10.194 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.112 -10.580 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.323 -12.639 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.492 -12.295 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.034 -12.666 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.297 -13.975 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.650 -11.441 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.092 -13.102 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.304 -12.578 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.807 -13.311 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.687 -11.619 -3.901 1.00 0.00 H new ATOM 437 N LYS A 28 11.975 -9.100 -7.871 1.00 0.00 N ATOM 438 CA LYS A 28 12.861 -9.155 -9.072 1.00 0.00 C ATOM 439 C LYS A 28 14.345 -9.159 -8.699 1.00 0.00 C ATOM 440 O LYS A 28 15.188 -9.348 -9.552 1.00 0.00 O ATOM 441 CB LYS A 28 12.572 -7.918 -9.928 1.00 0.00 C ATOM 442 CG LYS A 28 11.112 -7.967 -10.382 1.00 0.00 C ATOM 443 CD LYS A 28 10.852 -6.832 -11.373 1.00 0.00 C ATOM 444 CE LYS A 28 9.386 -6.872 -11.803 1.00 0.00 C ATOM 445 NZ LYS A 28 9.084 -5.742 -12.724 1.00 0.00 N ATOM 0 H LYS A 28 11.653 -8.167 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 28 12.654 -10.080 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.759 -7.010 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.236 -7.893 -10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.896 -8.928 -10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.449 -7.873 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.083 -5.871 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.502 -6.935 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.171 -7.820 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.741 -6.817 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.084 -5.783 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.270 -4.840 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.686 -5.812 -13.569 1.00 0.00 H new ATOM 459 N LYS A 29 14.647 -8.942 -7.441 1.00 0.00 N ATOM 460 CA LYS A 29 16.086 -8.940 -7.033 1.00 0.00 C ATOM 461 C LYS A 29 16.240 -9.102 -5.519 1.00 0.00 C ATOM 462 O LYS A 29 16.979 -8.378 -4.883 1.00 0.00 O ATOM 463 CB LYS A 29 16.748 -7.616 -7.492 1.00 0.00 C ATOM 464 CG LYS A 29 15.976 -6.403 -6.940 1.00 0.00 C ATOM 465 CD LYS A 29 16.338 -5.156 -7.766 1.00 0.00 C ATOM 466 CE LYS A 29 15.587 -3.937 -7.219 1.00 0.00 C ATOM 467 NZ LYS A 29 14.198 -3.903 -7.751 1.00 0.00 N ATOM 0 H LYS A 29 13.975 -8.770 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 29 16.579 -9.787 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.782 -7.582 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.772 -7.574 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.903 -6.587 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.226 -6.244 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.413 -4.981 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.080 -5.314 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.565 -3.974 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.112 -3.023 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.701 -3.072 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.225 -3.846 -8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.695 -4.767 -7.464 1.00 0.00 H new ATOM 481 N HIS A 30 15.541 -10.075 -4.984 1.00 0.00 N ATOM 482 CA HIS A 30 15.606 -10.338 -3.514 1.00 0.00 C ATOM 483 C HIS A 30 15.304 -11.833 -3.232 1.00 0.00 C ATOM 484 O HIS A 30 14.249 -12.179 -2.736 1.00 0.00 O ATOM 485 CB HIS A 30 14.527 -9.476 -2.822 1.00 0.00 C ATOM 486 CG HIS A 30 15.019 -8.033 -2.636 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.501 -7.583 -1.576 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.963 -6.955 -3.498 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.752 -6.345 -1.665 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.443 -5.850 -2.863 1.00 0.00 N ATOM 0 H HIS A 30 14.926 -10.700 -5.506 1.00 0.00 H new ATOM 0 HA HIS A 30 16.600 -10.094 -3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.614 -9.480 -3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.277 -9.908 -1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.597 -6.984 -4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.169 -5.757 -0.861 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.540 -4.896 -3.212 1.00 0.00 H new ATOM 498 N PRO A 31 16.244 -12.697 -3.578 1.00 0.00 N ATOM 499 CA PRO A 31 16.070 -14.135 -3.363 1.00 0.00 C ATOM 500 C PRO A 31 16.246 -14.518 -1.886 1.00 0.00 C ATOM 501 O PRO A 31 15.324 -14.980 -1.243 1.00 0.00 O ATOM 502 CB PRO A 31 17.196 -14.796 -4.226 1.00 0.00 C ATOM 503 CG PRO A 31 18.146 -13.642 -4.699 1.00 0.00 C ATOM 504 CD PRO A 31 17.505 -12.306 -4.238 1.00 0.00 C ATOM 0 HA PRO A 31 15.068 -14.461 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.746 -15.534 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.769 -15.320 -5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.140 -13.761 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.263 -13.659 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.160 -11.770 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.319 -11.644 -5.084 1.00 0.00 H new ATOM 512 N ASP A 32 17.427 -14.309 -1.394 1.00 0.00 N ATOM 513 CA ASP A 32 17.719 -14.645 0.030 1.00 0.00 C ATOM 514 C ASP A 32 17.231 -13.571 1.003 1.00 0.00 C ATOM 515 O ASP A 32 17.470 -13.667 2.191 1.00 0.00 O ATOM 516 CB ASP A 32 19.241 -14.782 0.175 1.00 0.00 C ATOM 517 CG ASP A 32 19.762 -15.729 -0.908 1.00 0.00 C ATOM 518 OD1 ASP A 32 19.294 -16.856 -0.913 1.00 0.00 O ATOM 519 OD2 ASP A 32 20.597 -15.272 -1.670 1.00 0.00 O ATOM 0 H ASP A 32 18.212 -13.918 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 32 17.194 -15.568 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.717 -13.806 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.492 -15.166 1.164 1.00 0.00 H new ATOM 524 N ALA A 33 16.562 -12.572 0.504 1.00 0.00 N ATOM 525 CA ALA A 33 16.076 -11.517 1.416 1.00 0.00 C ATOM 526 C ALA A 33 15.000 -12.072 2.339 1.00 0.00 C ATOM 527 O ALA A 33 14.670 -11.474 3.342 1.00 0.00 O ATOM 528 CB ALA A 33 15.477 -10.376 0.572 1.00 0.00 C ATOM 0 H ALA A 33 16.336 -12.445 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 33 16.905 -11.151 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.113 -9.588 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.244 -9.971 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.650 -10.760 -0.025 1.00 0.00 H new ATOM 534 N SER A 34 14.477 -13.211 1.961 1.00 0.00 N ATOM 535 CA SER A 34 13.418 -13.859 2.773 1.00 0.00 C ATOM 536 C SER A 34 12.308 -12.889 3.096 1.00 0.00 C ATOM 537 O SER A 34 12.219 -12.382 4.195 1.00 0.00 O ATOM 538 CB SER A 34 14.018 -14.365 4.083 1.00 0.00 C ATOM 539 OG SER A 34 15.090 -15.204 3.680 1.00 0.00 O ATOM 0 H SER A 34 14.744 -13.719 1.118 1.00 0.00 H new ATOM 0 HA SER A 34 13.008 -14.686 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.370 -13.541 4.703 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.283 -14.915 4.671 1.00 0.00 H new ATOM 0 HG SER A 34 15.534 -15.572 4.473 1.00 0.00 H new ATOM 545 N VAL A 35 11.482 -12.646 2.140 1.00 0.00 N ATOM 546 CA VAL A 35 10.378 -11.715 2.373 1.00 0.00 C ATOM 547 C VAL A 35 9.349 -12.278 3.355 1.00 0.00 C ATOM 548 O VAL A 35 8.334 -12.819 2.955 1.00 0.00 O ATOM 549 CB VAL A 35 9.693 -11.439 1.032 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.636 -10.344 1.227 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.743 -10.959 0.032 1.00 0.00 C ATOM 0 H VAL A 35 11.526 -13.054 1.206 1.00 0.00 H new ATOM 0 HA VAL A 35 10.783 -10.802 2.809 1.00 0.00 H new ATOM 0 HB VAL A 35 9.216 -12.346 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.143 -10.141 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.897 -10.677 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.116 -9.435 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.267 -10.759 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.209 -10.046 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.504 -11.729 -0.094 1.00 0.00 H new ATOM 561 N ASN A 36 9.636 -12.143 4.630 1.00 0.00 N ATOM 562 CA ASN A 36 8.689 -12.658 5.662 1.00 0.00 C ATOM 563 C ASN A 36 7.630 -11.606 5.936 1.00 0.00 C ATOM 564 O ASN A 36 6.920 -11.665 6.919 1.00 0.00 O ATOM 565 CB ASN A 36 9.473 -12.911 6.959 1.00 0.00 C ATOM 566 CG ASN A 36 10.553 -13.961 6.697 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.243 -14.396 7.596 1.00 0.00 O ATOM 568 ND2 ASN A 36 10.734 -14.391 5.478 1.00 0.00 N ATOM 0 H ASN A 36 10.480 -11.701 4.995 1.00 0.00 H new ATOM 0 HA ASN A 36 8.219 -13.577 5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.927 -11.984 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.799 -13.253 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.452 -15.089 5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.157 -14.029 4.719 1.00 0.00 H new ATOM 575 N PHE A 37 7.551 -10.661 5.037 1.00 0.00 N ATOM 576 CA PHE A 37 6.563 -9.568 5.179 1.00 0.00 C ATOM 577 C PHE A 37 6.677 -8.923 6.561 1.00 0.00 C ATOM 578 O PHE A 37 5.693 -8.559 7.179 1.00 0.00 O ATOM 579 CB PHE A 37 5.127 -10.127 4.945 1.00 0.00 C ATOM 580 CG PHE A 37 4.296 -9.039 4.251 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.431 -8.828 2.891 1.00 0.00 C ATOM 582 CD2 PHE A 37 3.470 -8.203 4.980 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.760 -7.796 2.276 1.00 0.00 C ATOM 584 CE2 PHE A 37 2.800 -7.169 4.354 1.00 0.00 C ATOM 585 CZ PHE A 37 2.953 -6.970 3.000 1.00 0.00 C ATOM 0 H PHE A 37 8.138 -10.605 4.204 1.00 0.00 H new ATOM 0 HA PHE A 37 6.767 -8.801 4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.165 -11.026 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.669 -10.408 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.067 -9.477 2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.348 -8.359 6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.873 -7.640 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.157 -6.517 4.926 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.433 -6.159 2.512 1.00 0.00 H new ATOM 595 N SER A 38 7.902 -8.798 6.997 1.00 0.00 N ATOM 596 CA SER A 38 8.192 -8.189 8.321 1.00 0.00 C ATOM 597 C SER A 38 9.515 -7.468 8.230 1.00 0.00 C ATOM 598 O SER A 38 9.683 -6.390 8.767 1.00 0.00 O ATOM 599 CB SER A 38 8.303 -9.312 9.365 1.00 0.00 C ATOM 600 OG SER A 38 8.787 -8.660 10.529 1.00 0.00 O ATOM 0 H SER A 38 8.727 -9.099 6.479 1.00 0.00 H new ATOM 0 HA SER A 38 7.402 -7.494 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.337 -9.784 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.985 -10.096 9.035 1.00 0.00 H new ATOM 0 HG SER A 38 8.886 -9.313 11.253 1.00 0.00 H new ATOM 606 N GLU A 39 10.432 -8.096 7.529 1.00 0.00 N ATOM 607 CA GLU A 39 11.789 -7.514 7.342 1.00 0.00 C ATOM 608 C GLU A 39 11.833 -6.742 6.033 1.00 0.00 C ATOM 609 O GLU A 39 12.709 -5.931 5.808 1.00 0.00 O ATOM 610 CB GLU A 39 12.792 -8.675 7.257 1.00 0.00 C ATOM 611 CG GLU A 39 12.807 -9.431 8.588 1.00 0.00 C ATOM 612 CD GLU A 39 13.519 -8.585 9.644 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.699 -8.352 9.447 1.00 0.00 O ATOM 614 OE2 GLU A 39 12.840 -8.219 10.590 1.00 0.00 O ATOM 0 H GLU A 39 10.289 -8.998 7.075 1.00 0.00 H new ATOM 0 HA GLU A 39 12.030 -6.846 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.517 -9.349 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.788 -8.294 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.788 -9.648 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.315 -10.388 8.470 1.00 0.00 H new ATOM 621 N PHE A 40 10.859 -7.022 5.196 1.00 0.00 N ATOM 622 CA PHE A 40 10.765 -6.355 3.877 1.00 0.00 C ATOM 623 C PHE A 40 10.009 -5.038 3.991 1.00 0.00 C ATOM 624 O PHE A 40 10.461 -4.033 3.508 1.00 0.00 O ATOM 625 CB PHE A 40 10.020 -7.312 2.928 1.00 0.00 C ATOM 626 CG PHE A 40 9.647 -6.585 1.634 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.632 -6.062 0.820 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.320 -6.440 1.267 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.298 -5.403 -0.338 1.00 0.00 C ATOM 630 CE2 PHE A 40 7.989 -5.781 0.108 1.00 0.00 C ATOM 631 CZ PHE A 40 8.979 -5.259 -0.696 1.00 0.00 C ATOM 0 H PHE A 40 10.118 -7.697 5.384 1.00 0.00 H new ATOM 0 HA PHE A 40 11.762 -6.130 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.648 -8.174 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.121 -7.691 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.671 -6.172 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.541 -6.847 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.074 -4.997 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.952 -5.672 -0.173 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.719 -4.738 -1.605 1.00 0.00 H new ATOM 641 N SER A 41 8.842 -5.078 4.577 1.00 0.00 N ATOM 642 CA SER A 41 8.070 -3.825 4.721 1.00 0.00 C ATOM 643 C SER A 41 8.920 -2.795 5.437 1.00 0.00 C ATOM 644 O SER A 41 8.616 -1.633 5.443 1.00 0.00 O ATOM 645 CB SER A 41 6.813 -4.117 5.555 1.00 0.00 C ATOM 646 OG SER A 41 6.056 -5.007 4.746 1.00 0.00 O ATOM 0 H SER A 41 8.400 -5.916 4.956 1.00 0.00 H new ATOM 0 HA SER A 41 7.787 -3.443 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.067 -4.569 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.257 -3.204 5.770 1.00 0.00 H new ATOM 0 HG SER A 41 5.228 -5.248 5.211 1.00 0.00 H new ATOM 652 N LYS A 42 9.978 -3.246 6.046 1.00 0.00 N ATOM 653 CA LYS A 42 10.838 -2.298 6.748 1.00 0.00 C ATOM 654 C LYS A 42 11.452 -1.355 5.725 1.00 0.00 C ATOM 655 O LYS A 42 11.655 -0.185 5.986 1.00 0.00 O ATOM 656 CB LYS A 42 11.948 -3.085 7.471 1.00 0.00 C ATOM 657 CG LYS A 42 12.511 -2.227 8.607 1.00 0.00 C ATOM 658 CD LYS A 42 13.769 -2.897 9.174 1.00 0.00 C ATOM 659 CE LYS A 42 13.435 -4.333 9.610 1.00 0.00 C ATOM 660 NZ LYS A 42 14.416 -4.811 10.622 1.00 0.00 N ATOM 0 H LYS A 42 10.271 -4.222 6.081 1.00 0.00 H new ATOM 0 HA LYS A 42 10.268 -1.722 7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.550 -4.019 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.740 -3.348 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.751 -1.229 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.764 -2.107 9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.558 -2.908 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.146 -2.327 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.428 -4.368 10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.446 -4.994 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.176 -5.782 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.372 -4.796 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.386 -4.189 11.455 1.00 0.00 H new ATOM 674 N LYS A 43 11.737 -1.900 4.565 1.00 0.00 N ATOM 675 CA LYS A 43 12.336 -1.081 3.491 1.00 0.00 C ATOM 676 C LYS A 43 11.261 -0.230 2.813 1.00 0.00 C ATOM 677 O LYS A 43 11.414 0.970 2.676 1.00 0.00 O ATOM 678 CB LYS A 43 12.968 -2.029 2.434 1.00 0.00 C ATOM 679 CG LYS A 43 14.373 -2.429 2.885 1.00 0.00 C ATOM 680 CD LYS A 43 14.278 -3.231 4.190 1.00 0.00 C ATOM 681 CE LYS A 43 15.606 -3.956 4.436 1.00 0.00 C ATOM 682 NZ LYS A 43 16.743 -2.996 4.376 1.00 0.00 N ATOM 0 H LYS A 43 11.576 -2.879 4.326 1.00 0.00 H new ATOM 0 HA LYS A 43 13.094 -0.425 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.348 -2.917 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.013 -1.532 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.859 -3.025 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.986 -1.540 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.054 -2.566 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.463 -3.952 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.586 -4.444 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.743 -4.739 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.591 -3.436 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.931 -2.742 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.502 -2.139 4.913 1.00 0.00 H new ATOM 696 N CYS A 44 10.184 -0.864 2.401 1.00 0.00 N ATOM 697 CA CYS A 44 9.122 -0.101 1.744 1.00 0.00 C ATOM 698 C CYS A 44 8.616 1.000 2.662 1.00 0.00 C ATOM 699 O CYS A 44 8.243 2.067 2.217 1.00 0.00 O ATOM 700 CB CYS A 44 7.996 -1.073 1.411 1.00 0.00 C ATOM 701 SG CYS A 44 8.468 -2.649 0.657 1.00 0.00 S ATOM 0 H CYS A 44 10.014 -1.865 2.499 1.00 0.00 H new ATOM 0 HA CYS A 44 9.498 0.372 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.450 -1.287 2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.302 -0.570 0.738 1.00 0.00 H new ATOM 0 HG CYS A 44 8.086 -3.628 1.422 1.00 0.00 H new ATOM 707 N SER A 45 8.615 0.719 3.926 1.00 0.00 N ATOM 708 CA SER A 45 8.139 1.737 4.901 1.00 0.00 C ATOM 709 C SER A 45 9.017 2.975 4.818 1.00 0.00 C ATOM 710 O SER A 45 8.531 4.085 4.722 1.00 0.00 O ATOM 711 CB SER A 45 8.249 1.149 6.326 1.00 0.00 C ATOM 712 OG SER A 45 8.150 2.279 7.181 1.00 0.00 O ATOM 0 H SER A 45 8.921 -0.166 4.330 1.00 0.00 H new ATOM 0 HA SER A 45 7.107 2.004 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.453 0.431 6.522 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.194 0.624 6.468 1.00 0.00 H new ATOM 0 HG SER A 45 8.210 1.989 8.115 1.00 0.00 H new ATOM 718 N GLU A 46 10.303 2.759 4.860 1.00 0.00 N ATOM 719 CA GLU A 46 11.239 3.899 4.783 1.00 0.00 C ATOM 720 C GLU A 46 11.161 4.556 3.408 1.00 0.00 C ATOM 721 O GLU A 46 11.751 5.595 3.184 1.00 0.00 O ATOM 722 CB GLU A 46 12.671 3.361 5.016 1.00 0.00 C ATOM 723 CG GLU A 46 13.570 4.496 5.510 1.00 0.00 C ATOM 724 CD GLU A 46 14.940 3.928 5.885 1.00 0.00 C ATOM 725 OE1 GLU A 46 14.970 3.185 6.852 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.877 4.270 5.186 1.00 0.00 O ATOM 0 H GLU A 46 10.739 1.841 4.944 1.00 0.00 H new ATOM 0 HA GLU A 46 10.979 4.642 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.653 2.553 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.069 2.944 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.678 5.254 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.117 4.985 6.373 1.00 0.00 H new ATOM 733 N ARG A 47 10.423 3.910 2.514 1.00 0.00 N ATOM 734 CA ARG A 47 10.250 4.426 1.125 1.00 0.00 C ATOM 735 C ARG A 47 8.864 5.062 0.952 1.00 0.00 C ATOM 736 O ARG A 47 8.610 5.759 -0.012 1.00 0.00 O ATOM 737 CB ARG A 47 10.378 3.210 0.170 1.00 0.00 C ATOM 738 CG ARG A 47 10.848 3.680 -1.211 1.00 0.00 C ATOM 739 CD ARG A 47 11.141 2.450 -2.098 1.00 0.00 C ATOM 740 NE ARG A 47 10.925 2.825 -3.524 1.00 0.00 N ATOM 741 CZ ARG A 47 11.839 3.512 -4.154 1.00 0.00 C ATOM 742 NH1 ARG A 47 12.925 3.854 -3.516 1.00 0.00 N ATOM 743 NH2 ARG A 47 11.634 3.837 -5.400 1.00 0.00 N ATOM 0 H ARG A 47 9.932 3.036 2.704 1.00 0.00 H new ATOM 0 HA ARG A 47 11.000 5.187 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.085 2.488 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.418 2.701 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.084 4.303 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.744 4.294 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.166 2.112 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.488 1.622 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 47 10.069 2.547 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.050 3.584 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.649 4.391 -3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.771 3.555 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.336 4.374 -5.909 1.00 0.00 H new ATOM 757 N TRP A 48 8.008 4.802 1.920 1.00 0.00 N ATOM 758 CA TRP A 48 6.610 5.348 1.904 1.00 0.00 C ATOM 759 C TRP A 48 6.478 6.538 2.864 1.00 0.00 C ATOM 760 O TRP A 48 6.152 7.637 2.459 1.00 0.00 O ATOM 761 CB TRP A 48 5.705 4.179 2.363 1.00 0.00 C ATOM 762 CG TRP A 48 4.393 4.668 2.985 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.225 4.836 4.278 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.260 4.817 2.341 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.911 5.077 4.405 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.226 5.080 3.216 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.006 4.717 0.995 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.941 5.231 2.756 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.705 4.872 0.524 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.674 5.128 1.414 1.00 0.00 C ATOM 0 H TRP A 48 8.225 4.225 2.732 1.00 0.00 H new ATOM 0 HA TRP A 48 6.333 5.712 0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.483 3.538 1.510 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.243 3.569 3.089 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.971 4.791 5.057 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.461 5.243 5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.812 4.519 0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.139 5.431 3.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.500 4.793 -0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.337 5.246 1.052 1.00 0.00 H new ATOM 781 N LYS A 49 6.730 6.281 4.109 1.00 0.00 N ATOM 782 CA LYS A 49 6.633 7.379 5.146 1.00 0.00 C ATOM 783 C LYS A 49 7.414 8.628 4.718 1.00 0.00 C ATOM 784 O LYS A 49 7.221 9.700 5.258 1.00 0.00 O ATOM 785 CB LYS A 49 7.274 6.875 6.466 1.00 0.00 C ATOM 786 CG LYS A 49 6.393 5.796 7.115 1.00 0.00 C ATOM 787 CD LYS A 49 6.725 5.699 8.608 1.00 0.00 C ATOM 788 CE LYS A 49 5.822 4.649 9.254 1.00 0.00 C ATOM 789 NZ LYS A 49 5.977 4.671 10.734 1.00 0.00 N ATOM 0 H LYS A 49 7.000 5.366 4.471 1.00 0.00 H new ATOM 0 HA LYS A 49 5.580 7.631 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.266 6.470 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.405 7.709 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.340 6.041 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.560 4.834 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.772 5.429 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.580 6.666 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.783 4.841 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.072 3.660 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.357 3.952 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.966 4.466 10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.717 5.610 11.096 1.00 0.00 H new ATOM 803 N THR A 50 8.271 8.454 3.760 1.00 0.00 N ATOM 804 CA THR A 50 9.093 9.588 3.261 1.00 0.00 C ATOM 805 C THR A 50 8.353 10.457 2.253 1.00 0.00 C ATOM 806 O THR A 50 8.552 11.656 2.208 1.00 0.00 O ATOM 807 CB THR A 50 10.318 8.973 2.574 1.00 0.00 C ATOM 808 OG1 THR A 50 10.740 9.899 1.583 1.00 0.00 O ATOM 809 CG2 THR A 50 9.895 7.729 1.798 1.00 0.00 C ATOM 0 H THR A 50 8.441 7.563 3.293 1.00 0.00 H new ATOM 0 HA THR A 50 9.353 10.232 4.101 1.00 0.00 H new ATOM 0 HB THR A 50 11.081 8.740 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.526 9.545 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.766 7.291 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.461 7.002 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.156 8.004 1.045 1.00 0.00 H new ATOM 817 N MET A 51 7.543 9.844 1.455 1.00 0.00 N ATOM 818 CA MET A 51 6.792 10.622 0.447 1.00 0.00 C ATOM 819 C MET A 51 5.890 11.668 1.098 1.00 0.00 C ATOM 820 O MET A 51 5.898 11.828 2.302 1.00 0.00 O ATOM 821 CB MET A 51 5.927 9.649 -0.368 1.00 0.00 C ATOM 822 CG MET A 51 6.819 8.568 -1.009 1.00 0.00 C ATOM 823 SD MET A 51 6.155 7.687 -2.447 1.00 0.00 S ATOM 824 CE MET A 51 5.018 6.599 -1.555 1.00 0.00 C ATOM 0 H MET A 51 7.367 8.839 1.455 1.00 0.00 H new ATOM 0 HA MET A 51 7.505 11.146 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.182 9.183 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.384 10.192 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.757 9.037 -1.305 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.059 7.831 -0.243 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.259 6.225 -2.242 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.572 5.760 -1.134 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.537 7.156 -0.751 1.00 0.00 H new ATOM 834 N SER A 52 5.113 12.357 0.265 1.00 0.00 N ATOM 835 CA SER A 52 4.176 13.421 0.777 1.00 0.00 C ATOM 836 C SER A 52 2.737 12.969 0.633 1.00 0.00 C ATOM 837 O SER A 52 2.455 12.040 -0.094 1.00 0.00 O ATOM 838 CB SER A 52 4.379 14.683 -0.079 1.00 0.00 C ATOM 839 OG SER A 52 3.630 15.684 0.593 1.00 0.00 O ATOM 0 H SER A 52 5.093 12.222 -0.746 1.00 0.00 H new ATOM 0 HA SER A 52 4.384 13.616 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.433 14.953 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.021 14.535 -1.098 1.00 0.00 H new ATOM 0 HG SER A 52 3.708 16.532 0.108 1.00 0.00 H new ATOM 845 N ALA A 53 1.850 13.626 1.337 1.00 0.00 N ATOM 846 CA ALA A 53 0.419 13.245 1.252 1.00 0.00 C ATOM 847 C ALA A 53 -0.047 13.182 -0.190 1.00 0.00 C ATOM 848 O ALA A 53 -0.976 12.471 -0.510 1.00 0.00 O ATOM 849 CB ALA A 53 -0.412 14.293 1.983 1.00 0.00 C ATOM 0 H ALA A 53 2.059 14.405 1.962 1.00 0.00 H new ATOM 0 HA ALA A 53 0.297 12.260 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.467 14.024 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.103 14.338 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.261 15.267 1.517 1.00 0.00 H new ATOM 855 N LYS A 54 0.593 13.935 -1.040 1.00 0.00 N ATOM 856 CA LYS A 54 0.184 13.914 -2.460 1.00 0.00 C ATOM 857 C LYS A 54 0.301 12.499 -3.009 1.00 0.00 C ATOM 858 O LYS A 54 -0.678 11.908 -3.444 1.00 0.00 O ATOM 859 CB LYS A 54 1.116 14.842 -3.255 1.00 0.00 C ATOM 860 CG LYS A 54 0.870 16.291 -2.822 1.00 0.00 C ATOM 861 CD LYS A 54 1.949 17.195 -3.437 1.00 0.00 C ATOM 862 CE LYS A 54 1.903 17.088 -4.969 1.00 0.00 C ATOM 863 NZ LYS A 54 2.518 18.295 -5.591 1.00 0.00 N ATOM 0 H LYS A 54 1.371 14.554 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.849 14.249 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.157 14.569 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.933 14.733 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.119 16.616 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.892 16.367 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.789 18.229 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.933 16.903 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.434 16.193 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.870 16.985 -5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.480 18.209 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.995 19.143 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.509 18.376 -5.286 1.00 0.00 H new ATOM 877 N GLU A 55 1.494 11.965 -2.968 1.00 0.00 N ATOM 878 CA GLU A 55 1.682 10.595 -3.483 1.00 0.00 C ATOM 879 C GLU A 55 0.920 9.615 -2.623 1.00 0.00 C ATOM 880 O GLU A 55 0.247 8.731 -3.121 1.00 0.00 O ATOM 881 CB GLU A 55 3.166 10.244 -3.412 1.00 0.00 C ATOM 882 CG GLU A 55 3.970 11.273 -4.198 1.00 0.00 C ATOM 883 CD GLU A 55 5.448 10.879 -4.178 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.745 9.861 -4.780 1.00 0.00 O ATOM 885 OE2 GLU A 55 6.197 11.617 -3.561 1.00 0.00 O ATOM 0 H GLU A 55 2.331 12.419 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 55 1.320 10.542 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.497 10.225 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.335 9.247 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.609 11.326 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.840 12.264 -3.763 1.00 0.00 H new ATOM 892 N LYS A 56 1.021 9.793 -1.332 1.00 0.00 N ATOM 893 CA LYS A 56 0.309 8.879 -0.436 1.00 0.00 C ATOM 894 C LYS A 56 -1.181 9.150 -0.539 1.00 0.00 C ATOM 895 O LYS A 56 -1.984 8.512 0.110 1.00 0.00 O ATOM 896 CB LYS A 56 0.799 9.132 1.001 1.00 0.00 C ATOM 897 CG LYS A 56 2.126 8.394 1.213 1.00 0.00 C ATOM 898 CD LYS A 56 2.709 8.753 2.602 1.00 0.00 C ATOM 899 CE LYS A 56 3.420 10.132 2.570 1.00 0.00 C ATOM 900 NZ LYS A 56 2.522 11.186 3.120 1.00 0.00 N ATOM 0 H LYS A 56 1.563 10.528 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 56 0.499 7.841 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.931 10.201 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.056 8.784 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.970 7.318 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.833 8.666 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.909 8.770 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.415 7.983 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.341 10.088 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.701 10.381 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.989 12.113 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.634 11.202 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.316 10.980 4.118 1.00 0.00 H new ATOM 914 N GLY A 57 -1.509 10.106 -1.375 1.00 0.00 N ATOM 915 CA GLY A 57 -2.936 10.474 -1.573 1.00 0.00 C ATOM 916 C GLY A 57 -3.564 9.523 -2.589 1.00 0.00 C ATOM 917 O GLY A 57 -4.697 9.109 -2.448 1.00 0.00 O ATOM 0 H GLY A 57 -0.843 10.646 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.473 10.419 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.013 11.503 -1.924 1.00 0.00 H new ATOM 921 N LYS A 58 -2.807 9.201 -3.602 1.00 0.00 N ATOM 922 CA LYS A 58 -3.323 8.287 -4.637 1.00 0.00 C ATOM 923 C LYS A 58 -3.357 6.862 -4.076 1.00 0.00 C ATOM 924 O LYS A 58 -4.158 6.037 -4.481 1.00 0.00 O ATOM 925 CB LYS A 58 -2.357 8.432 -5.870 1.00 0.00 C ATOM 926 CG LYS A 58 -2.106 7.089 -6.610 1.00 0.00 C ATOM 927 CD LYS A 58 -0.925 6.329 -5.954 1.00 0.00 C ATOM 928 CE LYS A 58 0.411 6.857 -6.511 1.00 0.00 C ATOM 929 NZ LYS A 58 0.446 6.742 -7.994 1.00 0.00 N ATOM 0 H LYS A 58 -1.855 9.536 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.342 8.523 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.778 9.153 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.403 8.837 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.006 6.474 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.887 7.280 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.954 6.458 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.014 5.261 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.546 7.898 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.238 6.295 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.423 6.569 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.159 5.952 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.099 7.625 -8.419 1.00 0.00 H new ATOM 943 N PHE A 59 -2.522 6.632 -3.106 1.00 0.00 N ATOM 944 CA PHE A 59 -2.466 5.287 -2.482 1.00 0.00 C ATOM 945 C PHE A 59 -3.582 5.192 -1.488 1.00 0.00 C ATOM 946 O PHE A 59 -4.060 4.123 -1.162 1.00 0.00 O ATOM 947 CB PHE A 59 -1.117 5.129 -1.747 1.00 0.00 C ATOM 948 CG PHE A 59 -0.035 4.711 -2.746 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.128 3.505 -3.408 1.00 0.00 C ATOM 950 CD2 PHE A 59 1.049 5.534 -3.000 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.840 3.127 -4.306 1.00 0.00 C ATOM 952 CE2 PHE A 59 2.016 5.154 -3.897 1.00 0.00 C ATOM 953 CZ PHE A 59 1.913 3.949 -4.552 1.00 0.00 C ATOM 0 H PHE A 59 -1.875 7.319 -2.718 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.561 4.508 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.840 6.068 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.206 4.382 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.968 2.853 -3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.134 6.482 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.757 2.181 -4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.859 5.802 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.674 3.650 -5.258 1.00 0.00 H new ATOM 963 N GLU A 60 -3.977 6.336 -1.018 1.00 0.00 N ATOM 964 CA GLU A 60 -5.061 6.387 -0.042 1.00 0.00 C ATOM 965 C GLU A 60 -6.356 6.152 -0.773 1.00 0.00 C ATOM 966 O GLU A 60 -7.350 5.766 -0.193 1.00 0.00 O ATOM 967 CB GLU A 60 -5.048 7.808 0.596 1.00 0.00 C ATOM 968 CG GLU A 60 -4.372 7.767 1.991 1.00 0.00 C ATOM 969 CD GLU A 60 -5.418 7.446 3.065 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.306 8.267 3.215 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.268 6.400 3.672 1.00 0.00 O ATOM 0 H GLU A 60 -3.584 7.240 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.947 5.633 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.514 8.501 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.068 8.181 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.584 7.014 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.900 8.726 2.205 1.00 0.00 H new ATOM 978 N ASP A 61 -6.310 6.392 -2.051 1.00 0.00 N ATOM 979 CA ASP A 61 -7.522 6.193 -2.867 1.00 0.00 C ATOM 980 C ASP A 61 -7.731 4.716 -3.105 1.00 0.00 C ATOM 981 O ASP A 61 -8.845 4.238 -3.113 1.00 0.00 O ATOM 982 CB ASP A 61 -7.324 6.913 -4.206 1.00 0.00 C ATOM 983 CG ASP A 61 -8.676 7.048 -4.910 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.290 6.011 -5.106 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.020 8.180 -5.209 1.00 0.00 O ATOM 0 H ASP A 61 -5.487 6.716 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.396 6.594 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.886 7.898 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.628 6.355 -4.833 1.00 0.00 H new ATOM 990 N MET A 62 -6.659 4.006 -3.308 1.00 0.00 N ATOM 991 CA MET A 62 -6.807 2.566 -3.536 1.00 0.00 C ATOM 992 C MET A 62 -7.310 1.923 -2.271 1.00 0.00 C ATOM 993 O MET A 62 -8.235 1.137 -2.296 1.00 0.00 O ATOM 994 CB MET A 62 -5.436 1.965 -3.906 1.00 0.00 C ATOM 995 CG MET A 62 -4.980 2.487 -5.288 1.00 0.00 C ATOM 996 SD MET A 62 -3.830 1.449 -6.226 1.00 0.00 S ATOM 997 CE MET A 62 -2.395 1.663 -5.149 1.00 0.00 C ATOM 0 H MET A 62 -5.704 4.364 -3.324 1.00 0.00 H new ATOM 0 HA MET A 62 -7.512 2.388 -4.348 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.699 2.229 -3.148 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.500 0.877 -3.923 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.868 2.645 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.515 3.462 -5.144 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.941 0.692 -4.950 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.667 2.310 -5.637 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.710 2.116 -4.209 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.684 2.260 -1.176 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.119 1.678 0.102 1.00 0.00 C ATOM 1009 C ALA A 63 -8.601 1.982 0.315 1.00 0.00 C ATOM 1010 O ALA A 63 -9.298 1.250 0.989 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.279 2.310 1.239 1.00 0.00 C ATOM 0 H ALA A 63 -5.898 2.908 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.977 0.597 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.588 1.890 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.223 2.097 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.434 3.389 1.249 1.00 0.00 H new ATOM 1017 N LYS A 64 -9.054 3.070 -0.268 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.476 3.427 -0.111 1.00 0.00 C ATOM 1019 C LYS A 64 -11.315 2.466 -0.935 1.00 0.00 C ATOM 1020 O LYS A 64 -12.419 2.099 -0.563 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.695 4.870 -0.626 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.965 5.438 0.019 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.210 6.872 -0.490 1.00 0.00 C ATOM 1024 CE LYS A 64 -12.546 6.851 -1.998 1.00 0.00 C ATOM 1025 NZ LYS A 64 -11.302 6.902 -2.815 1.00 0.00 N ATOM 0 H LYS A 64 -8.498 3.710 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.765 3.366 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.835 5.493 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.790 4.873 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.820 4.806 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.864 5.439 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.029 7.329 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.325 7.484 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.108 5.948 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.185 7.699 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.397 7.635 -3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.493 7.127 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.146 5.979 -3.269 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.762 2.065 -2.050 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.482 1.139 -2.916 1.00 0.00 C ATOM 1041 C ALA A 65 -11.562 -0.205 -2.253 1.00 0.00 C ATOM 1042 O ALA A 65 -12.562 -0.894 -2.339 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.718 1.012 -4.242 1.00 0.00 C ATOM 0 H ALA A 65 -9.841 2.350 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.491 1.508 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.245 0.322 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.652 1.990 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.714 0.634 -4.049 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.505 -0.563 -1.598 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.493 -1.858 -0.914 1.00 0.00 C ATOM 1051 C ASP A 66 -11.519 -1.826 0.205 1.00 0.00 C ATOM 1052 O ASP A 66 -12.103 -2.833 0.552 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.081 -2.097 -0.332 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.846 -3.600 -0.162 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.812 -4.264 0.174 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -7.713 -3.998 -0.379 1.00 0.00 O ATOM 0 H ASP A 66 -9.652 -0.011 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.739 -2.663 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.327 -1.673 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.982 -1.592 0.629 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.702 -0.652 0.759 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.674 -0.492 1.850 1.00 0.00 C ATOM 1063 C LYS A 67 -14.024 -1.042 1.405 1.00 0.00 C ATOM 1064 O LYS A 67 -14.692 -1.737 2.139 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.797 1.034 2.154 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.969 1.271 3.660 1.00 0.00 C ATOM 1067 CD LYS A 67 -14.248 0.576 4.149 1.00 0.00 C ATOM 1068 CE LYS A 67 -14.642 1.150 5.519 1.00 0.00 C ATOM 1069 NZ LYS A 67 -15.632 0.264 6.193 1.00 0.00 N ATOM 0 H LYS A 67 -11.209 0.200 0.490 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.352 -1.031 2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.908 1.554 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.648 1.451 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.104 0.885 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.023 2.340 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.055 0.727 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.086 -0.499 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.755 1.255 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.064 2.147 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.390 0.177 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.584 0.672 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.614 -0.677 5.750 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.392 -0.721 0.190 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.684 -1.213 -0.321 1.00 0.00 C ATOM 1085 C ALA A 68 -15.641 -2.715 -0.567 1.00 0.00 C ATOM 1086 O ALA A 68 -16.610 -3.409 -0.352 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.989 -0.496 -1.646 1.00 0.00 C ATOM 0 H ALA A 68 -13.852 -0.145 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.457 -1.009 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.943 -0.848 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.042 0.579 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.199 -0.710 -2.366 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.520 -3.188 -1.007 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.400 -4.646 -1.272 1.00 0.00 C ATOM 1095 C ARG A 69 -14.481 -5.440 0.025 1.00 0.00 C ATOM 1096 O ARG A 69 -14.860 -6.595 0.027 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.031 -4.920 -1.925 1.00 0.00 C ATOM 1098 CG ARG A 69 -12.981 -4.260 -3.314 1.00 0.00 C ATOM 1099 CD ARG A 69 -13.994 -4.942 -4.271 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.164 -4.039 -4.444 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.048 -4.305 -5.368 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -15.884 -5.364 -6.112 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.067 -3.502 -5.516 1.00 0.00 N ATOM 0 H ARG A 69 -13.683 -2.636 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.216 -4.950 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.232 -4.528 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.868 -5.994 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.210 -3.198 -3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.974 -4.337 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.527 -5.145 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.313 -5.901 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.275 -3.220 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.075 -5.969 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.564 -5.587 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.163 -2.683 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.767 -3.694 -6.232 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.123 -4.800 1.107 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.163 -5.490 2.423 1.00 0.00 C ATOM 1119 C TYR A 70 -15.577 -5.516 3.001 1.00 0.00 C ATOM 1120 O TYR A 70 -16.023 -6.525 3.510 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.250 -4.714 3.383 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.382 -5.285 4.802 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.376 -4.841 5.648 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.500 -6.238 5.251 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.484 -5.346 6.928 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.604 -6.745 6.531 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.597 -6.303 7.379 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.705 -6.815 8.656 1.00 0.00 O ATOM 0 H TYR A 70 -13.806 -3.831 1.133 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.834 -6.521 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.215 -4.781 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.518 -3.657 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.075 -4.092 5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.718 -6.594 4.597 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.267 -4.990 7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.903 -7.493 6.870 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.999 -7.478 8.803 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.252 -4.405 2.917 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.624 -4.350 3.456 1.00 0.00 C ATOM 1140 C GLU A 71 -18.601 -5.108 2.570 1.00 0.00 C ATOM 1141 O GLU A 71 -19.478 -5.796 3.056 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.044 -2.877 3.510 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.183 -2.148 4.536 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.824 -0.798 4.872 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.019 -0.042 3.934 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -18.085 -0.601 6.048 1.00 0.00 O ATOM 0 H GLU A 71 -15.909 -3.540 2.499 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.639 -4.811 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.929 -2.417 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.097 -2.796 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.085 -2.751 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.178 -1.998 4.142 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.434 -4.968 1.290 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.347 -5.676 0.346 1.00 0.00 C ATOM 1155 C ARG A 72 -19.403 -7.169 0.649 1.00 0.00 C ATOM 1156 O ARG A 72 -20.411 -7.813 0.424 1.00 0.00 O ATOM 1157 CB ARG A 72 -18.819 -5.473 -1.091 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.174 -4.048 -1.581 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.613 -4.016 -2.124 1.00 0.00 C ATOM 1160 NE ARG A 72 -20.826 -2.730 -2.849 1.00 0.00 N ATOM 1161 CZ ARG A 72 -20.905 -1.613 -2.173 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -20.797 -1.653 -0.873 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -21.089 -0.496 -2.821 1.00 0.00 N ATOM 0 H ARG A 72 -17.710 -4.398 0.853 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.352 -5.267 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -17.739 -5.618 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.256 -6.217 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.071 -3.337 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.477 -3.739 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -20.782 -4.859 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.327 -4.111 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.910 -2.722 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.653 -2.545 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.856 -0.792 -0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.169 -0.503 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.153 0.385 -2.311 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.322 -7.689 1.151 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.279 -9.142 1.480 1.00 0.00 C ATOM 1179 C GLU A 73 -18.944 -9.410 2.828 1.00 0.00 C ATOM 1180 O GLU A 73 -19.567 -10.433 3.024 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.800 -9.575 1.554 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.265 -9.788 0.136 1.00 0.00 C ATOM 1183 CD GLU A 73 -14.813 -10.264 0.205 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -13.979 -9.421 0.489 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -14.620 -11.447 -0.029 1.00 0.00 O ATOM 0 H GLU A 73 -17.465 -7.173 1.349 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.813 -9.703 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.211 -8.814 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.706 -10.494 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.876 -10.524 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.328 -8.859 -0.431 1.00 0.00 H new ATOM 1192 N MET A 74 -18.795 -8.481 3.734 1.00 0.00 N ATOM 1193 CA MET A 74 -19.406 -8.660 5.068 1.00 0.00 C ATOM 1194 C MET A 74 -20.934 -8.663 4.980 1.00 0.00 C ATOM 1195 O MET A 74 -21.614 -8.904 5.958 1.00 0.00 O ATOM 1196 CB MET A 74 -18.956 -7.483 5.972 1.00 0.00 C ATOM 1197 CG MET A 74 -17.569 -7.786 6.548 1.00 0.00 C ATOM 1198 SD MET A 74 -17.483 -8.972 7.916 1.00 0.00 S ATOM 1199 CE MET A 74 -15.696 -9.260 7.871 1.00 0.00 C ATOM 0 H MET A 74 -18.278 -7.612 3.602 1.00 0.00 H new ATOM 0 HA MET A 74 -19.085 -9.617 5.479 1.00 0.00 H new ATOM 0 HB2 MET A 74 -18.929 -6.558 5.397 1.00 0.00 H new ATOM 0 HB3 MET A 74 -19.673 -7.335 6.780 1.00 0.00 H new ATOM 0 HG2 MET A 74 -16.941 -8.157 5.739 1.00 0.00 H new ATOM 0 HG3 MET A 74 -17.131 -6.847 6.887 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.496 -10.242 7.443 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.219 -8.494 7.260 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.295 -9.218 8.884 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.444 -8.399 3.810 1.00 0.00 N ATOM 1210 CA LYS A 75 -22.912 -8.381 3.645 1.00 0.00 C ATOM 1211 C LYS A 75 -23.518 -9.751 3.966 1.00 0.00 C ATOM 1212 O LYS A 75 -24.714 -9.940 3.879 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.229 -8.011 2.169 1.00 0.00 C ATOM 1214 CG LYS A 75 -24.618 -7.329 2.085 1.00 0.00 C ATOM 1215 CD LYS A 75 -24.477 -5.810 2.337 1.00 0.00 C ATOM 1216 CE LYS A 75 -23.721 -5.133 1.164 1.00 0.00 C ATOM 1217 NZ LYS A 75 -24.270 -3.769 0.917 1.00 0.00 N ATOM 0 H LYS A 75 -20.905 -8.196 2.968 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.342 -7.651 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.461 -7.342 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.216 -8.907 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -25.059 -7.504 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -25.293 -7.767 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -25.464 -5.361 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.941 -5.638 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.658 -5.069 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.815 -5.739 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.756 -3.325 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.279 -3.839 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.158 -3.190 1.773 1.00 0.00 H new ATOM 1231 N THR A 76 -22.678 -10.686 4.331 1.00 0.00 N ATOM 1232 CA THR A 76 -23.202 -12.039 4.657 1.00 0.00 C ATOM 1233 C THR A 76 -22.175 -12.873 5.430 1.00 0.00 C ATOM 1234 O THR A 76 -22.383 -14.045 5.671 1.00 0.00 O ATOM 1235 CB THR A 76 -23.546 -12.750 3.332 1.00 0.00 C ATOM 1236 OG1 THR A 76 -24.202 -13.947 3.701 1.00 0.00 O ATOM 1237 CG2 THR A 76 -22.275 -13.214 2.601 1.00 0.00 C ATOM 0 H THR A 76 -21.668 -10.571 4.416 1.00 0.00 H new ATOM 0 HA THR A 76 -24.084 -11.934 5.289 1.00 0.00 H new ATOM 0 HB THR A 76 -24.121 -12.075 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 76 -23.764 -14.331 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 76 -22.551 -13.711 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.648 -12.351 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 76 -21.724 -13.909 3.235 1.00 0.00 H new ATOM 1245 N TYR A 77 -21.088 -12.258 5.807 1.00 0.00 N ATOM 1246 CA TYR A 77 -20.062 -13.014 6.558 1.00 0.00 C ATOM 1247 C TYR A 77 -20.591 -13.356 7.954 1.00 0.00 C ATOM 1248 O TYR A 77 -21.275 -14.336 8.115 1.00 0.00 O ATOM 1249 CB TYR A 77 -18.798 -12.136 6.670 1.00 0.00 C ATOM 1250 CG TYR A 77 -17.702 -12.911 7.415 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -17.217 -14.103 6.910 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -17.183 -12.430 8.599 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -16.234 -14.798 7.579 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -16.197 -13.127 9.266 1.00 0.00 C ATOM 1255 CZ TYR A 77 -15.716 -14.314 8.762 1.00 0.00 C ATOM 1256 OH TYR A 77 -14.734 -15.012 9.434 1.00 0.00 O ATOM 0 H TYR A 77 -20.872 -11.277 5.628 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.823 -13.944 6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.448 -11.855 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -19.030 -11.212 7.200 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.612 -14.492 5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.551 -11.500 9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.866 -15.729 7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -15.799 -12.738 10.192 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.485 -14.525 10.247 1.00 0.00 H new ATOM 1266 N ILE A 78 -20.268 -12.517 8.923 1.00 0.00 N ATOM 1267 CA ILE A 78 -20.731 -12.742 10.341 1.00 0.00 C ATOM 1268 C ILE A 78 -20.514 -14.220 10.839 1.00 0.00 C ATOM 1269 O ILE A 78 -21.339 -15.081 10.600 1.00 0.00 O ATOM 1270 CB ILE A 78 -22.238 -12.420 10.392 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -22.463 -10.913 10.111 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -22.769 -12.745 11.827 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -22.125 -10.579 8.638 1.00 0.00 C ATOM 0 H ILE A 78 -19.699 -11.681 8.790 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.141 -12.099 10.995 1.00 0.00 H new ATOM 0 HB ILE A 78 -22.763 -13.013 9.643 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -23.499 -10.649 10.321 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -21.840 -10.316 10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -23.835 -12.522 11.880 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -22.608 -13.801 12.044 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -22.235 -12.138 12.559 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.289 -9.516 8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -21.081 -10.824 8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -22.766 -11.161 7.976 1.00 0.00 H new ATOM 1285 N PRO A 79 -19.411 -14.485 11.563 1.00 0.00 N ATOM 1286 CA PRO A 79 -19.148 -15.843 12.059 1.00 0.00 C ATOM 1287 C PRO A 79 -20.221 -16.262 13.098 1.00 0.00 C ATOM 1288 O PRO A 79 -21.018 -15.450 13.523 1.00 0.00 O ATOM 1289 CB PRO A 79 -17.732 -15.761 12.723 1.00 0.00 C ATOM 1290 CG PRO A 79 -17.237 -14.282 12.575 1.00 0.00 C ATOM 1291 CD PRO A 79 -18.393 -13.479 11.926 1.00 0.00 C ATOM 0 HA PRO A 79 -19.183 -16.587 11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.782 -16.047 13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.039 -16.449 12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.976 -13.864 13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.341 -14.236 11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -18.798 -12.742 12.620 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.048 -12.934 11.047 1.00 0.00 H new ATOM 1299 N PRO A 80 -20.219 -17.539 13.487 1.00 0.00 N ATOM 1300 CA PRO A 80 -21.187 -18.034 14.462 1.00 0.00 C ATOM 1301 C PRO A 80 -20.974 -17.379 15.827 1.00 0.00 C ATOM 1302 O PRO A 80 -20.303 -16.371 15.944 1.00 0.00 O ATOM 1303 CB PRO A 80 -20.923 -19.576 14.552 1.00 0.00 C ATOM 1304 CG PRO A 80 -19.650 -19.872 13.692 1.00 0.00 C ATOM 1305 CD PRO A 80 -19.267 -18.548 12.979 1.00 0.00 C ATOM 0 HA PRO A 80 -22.210 -17.806 14.164 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -20.769 -19.881 15.587 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -21.780 -20.137 14.178 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -18.832 -20.222 14.322 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.850 -20.658 12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -18.238 -18.265 13.202 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.342 -18.649 11.896 1.00 0.00 H new ATOM 1313 N LYS A 81 -21.553 -17.981 16.828 1.00 0.00 N ATOM 1314 CA LYS A 81 -21.419 -17.442 18.202 1.00 0.00 C ATOM 1315 C LYS A 81 -20.090 -17.860 18.816 1.00 0.00 C ATOM 1316 O LYS A 81 -20.006 -18.167 19.989 1.00 0.00 O ATOM 1317 CB LYS A 81 -22.572 -18.005 19.059 1.00 0.00 C ATOM 1318 CG LYS A 81 -23.907 -17.493 18.495 1.00 0.00 C ATOM 1319 CD LYS A 81 -25.084 -18.141 19.261 1.00 0.00 C ATOM 1320 CE LYS A 81 -25.363 -17.355 20.552 1.00 0.00 C ATOM 1321 NZ LYS A 81 -25.672 -15.933 20.242 1.00 0.00 N ATOM 0 H LYS A 81 -22.116 -18.828 16.749 1.00 0.00 H new ATOM 0 HA LYS A 81 -21.457 -16.353 18.168 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -22.552 -19.095 19.049 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -22.457 -17.693 20.097 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -23.957 -16.408 18.584 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -23.978 -17.730 17.433 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -25.975 -18.154 18.633 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -24.847 -19.178 19.500 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -26.199 -17.807 21.086 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -24.497 -17.409 21.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -26.508 -15.633 20.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.860 -15.337 20.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -25.864 -15.833 19.225 1.00 0.00 H new ATOM 1335 N GLY A 82 -19.073 -17.857 18.007 1.00 0.00 N ATOM 1336 CA GLY A 82 -17.728 -18.252 18.512 1.00 0.00 C ATOM 1337 C GLY A 82 -17.767 -19.660 19.109 1.00 0.00 C ATOM 1338 O GLY A 82 -16.810 -20.108 19.708 1.00 0.00 O ATOM 0 H GLY A 82 -19.111 -17.600 17.021 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.004 -18.217 17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.394 -17.540 19.267 1.00 0.00 H new ATOM 1342 N GLU A 83 -18.872 -20.329 18.934 1.00 0.00 N ATOM 1343 CA GLU A 83 -18.985 -21.701 19.485 1.00 0.00 C ATOM 1344 C GLU A 83 -20.169 -22.436 18.873 1.00 0.00 C ATOM 1345 O GLU A 83 -21.264 -21.931 19.042 1.00 0.00 O ATOM 1346 CB GLU A 83 -19.201 -21.593 21.002 1.00 0.00 C ATOM 1347 CG GLU A 83 -19.085 -22.986 21.629 1.00 0.00 C ATOM 1348 CD GLU A 83 -19.180 -22.864 23.152 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -20.146 -22.258 23.586 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -18.282 -23.384 23.795 1.00 0.00 O ATOM 1351 OXT GLU A 83 -19.912 -23.465 18.268 1.00 0.00 O ATOM 0 H GLU A 83 -19.694 -19.986 18.437 1.00 0.00 H new ATOM 0 HA GLU A 83 -18.075 -22.255 19.254 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.462 -20.922 21.440 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -20.182 -21.167 21.212 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.878 -23.633 21.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.138 -23.446 21.348 1.00 0.00 H new TER 1358 GLU A 83