USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 934 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Set 2.1: A 54 GLN : amide:sc= -0.215 K(o=0.046,f=-5.7!) USER MOD Set 2.2: A 88 TYR OH : rot 69:sc= 0.26 USER MOD Set 3.1: A 33 GLN : amide:sc= -3.83! C(o=-2.9!,f=-0.047!) USER MOD Set 3.2: A 35 THR OG1 : rot 84:sc= 0.98 USER MOD Set 3.3: A 76 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot 180:sc=-0.00134 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.00412 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -1.32 (180deg=-2.43!) USER MOD Single : A 22 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 23 ASN : amide:sc= -0.0814 K(o=-0.081,f=-1.3) USER MOD Single : A 28 THR OG1 : rot 35:sc= -0.308 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00678 X(o=-0.0068,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.14) USER MOD Single : A 46 GLN : amide:sc= -0.0898 K(o=-0.09,f=-1.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 51 MET CE :methyl -114:sc= -0.939 (180deg=-3.84!) USER MOD Single : A 55 THR OG1 : rot 140:sc= -0.556 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.089) USER MOD Single : A 61 THR OG1 : rot -51:sc= 0.883 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 24:sc= 0.238 USER MOD Single : A 66 ASN : amide:sc= -0.0121 K(o=-0.012,f=0.67) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= -3.82! C(o=-3.8!,f=-3.1!) USER MOD Single : A 102 MET CE :methyl -159:sc= -0.161 (180deg=-0.771) USER MOD Single : A 104 SER OG : rot -81:sc= 1.42 USER MOD Single : A 106 SER OG : rot 32:sc= 0.694 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0044 USER MOD Single : A 111 THR OG1 : rot 173:sc= 1.35 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 31:sc= 0.157 USER MOD Single : A 119 SER OG : rot 23:sc= 0.263 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.192 8.463 20.543 1.00 0.00 N ATOM 2 CA GLY A 1 -22.926 9.775 19.981 1.00 0.00 C ATOM 3 C GLY A 1 -23.567 10.890 20.783 1.00 0.00 C ATOM 4 O GLY A 1 -24.788 10.933 20.933 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.733 7.735 19.959 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.816 8.418 21.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.218 8.295 20.562 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.849 9.936 19.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.296 9.810 18.956 1.00 0.00 H new ATOM 8 N SER A 2 -22.742 11.793 21.302 1.00 0.00 N ATOM 9 CA SER A 2 -23.235 12.911 22.099 1.00 0.00 C ATOM 10 C SER A 2 -22.620 14.226 21.629 1.00 0.00 C ATOM 11 O SER A 2 -21.881 14.261 20.645 1.00 0.00 O ATOM 12 CB SER A 2 -22.921 12.688 23.579 1.00 0.00 C ATOM 13 OG SER A 2 -23.478 11.469 24.041 1.00 0.00 O ATOM 0 H SER A 2 -21.729 11.773 21.185 1.00 0.00 H new ATOM 0 HA SER A 2 -24.316 12.969 21.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.841 12.677 23.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.315 13.517 24.167 1.00 0.00 H new ATOM 0 HG SER A 2 -23.262 11.349 24.989 1.00 0.00 H new ATOM 19 N SER A 3 -22.932 15.305 22.340 1.00 0.00 N ATOM 20 CA SER A 3 -22.413 16.623 21.995 1.00 0.00 C ATOM 21 C SER A 3 -22.613 16.914 20.510 1.00 0.00 C ATOM 22 O SER A 3 -21.699 17.373 19.828 1.00 0.00 O ATOM 23 CB SER A 3 -20.928 16.720 22.350 1.00 0.00 C ATOM 24 OG SER A 3 -20.751 17.058 23.714 1.00 0.00 O ATOM 0 H SER A 3 -23.541 15.292 23.158 1.00 0.00 H new ATOM 0 HA SER A 3 -22.965 17.365 22.571 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.438 15.769 22.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.449 17.470 21.721 1.00 0.00 H new ATOM 0 HG SER A 3 -19.794 17.112 23.916 1.00 0.00 H new ATOM 30 N GLY A 4 -23.818 16.642 20.017 1.00 0.00 N ATOM 31 CA GLY A 4 -24.117 16.879 18.617 1.00 0.00 C ATOM 32 C GLY A 4 -23.755 15.699 17.738 1.00 0.00 C ATOM 33 O GLY A 4 -22.855 14.925 18.066 1.00 0.00 O ATOM 0 H GLY A 4 -24.592 16.262 20.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.179 17.097 18.508 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.574 17.761 18.277 1.00 0.00 H new ATOM 37 N SER A 5 -24.458 15.558 16.619 1.00 0.00 N ATOM 38 CA SER A 5 -24.210 14.460 15.693 1.00 0.00 C ATOM 39 C SER A 5 -22.820 14.574 15.075 1.00 0.00 C ATOM 40 O SER A 5 -22.058 13.607 15.049 1.00 0.00 O ATOM 41 CB SER A 5 -25.271 14.444 14.591 1.00 0.00 C ATOM 42 OG SER A 5 -26.524 14.018 15.095 1.00 0.00 O ATOM 0 H SER A 5 -25.204 16.191 16.332 1.00 0.00 H new ATOM 0 HA SER A 5 -24.264 13.526 16.253 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.368 15.441 14.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.954 13.780 13.787 1.00 0.00 H new ATOM 0 HG SER A 5 -27.185 14.018 14.371 1.00 0.00 H new ATOM 48 N SER A 6 -22.496 15.763 14.578 1.00 0.00 N ATOM 49 CA SER A 6 -21.200 16.005 13.956 1.00 0.00 C ATOM 50 C SER A 6 -20.888 14.934 12.915 1.00 0.00 C ATOM 51 O SER A 6 -19.767 14.433 12.839 1.00 0.00 O ATOM 52 CB SER A 6 -20.099 16.035 15.018 1.00 0.00 C ATOM 53 OG SER A 6 -18.957 16.732 14.549 1.00 0.00 O ATOM 0 H SER A 6 -23.114 16.574 14.594 1.00 0.00 H new ATOM 0 HA SER A 6 -21.240 16.973 13.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.475 16.513 15.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.822 15.016 15.288 1.00 0.00 H new ATOM 0 HG SER A 6 -18.635 16.314 13.723 1.00 0.00 H new ATOM 59 N GLY A 7 -21.891 14.587 12.113 1.00 0.00 N ATOM 60 CA GLY A 7 -21.706 13.578 11.087 1.00 0.00 C ATOM 61 C GLY A 7 -22.734 13.683 9.978 1.00 0.00 C ATOM 62 O GLY A 7 -23.593 12.814 9.835 1.00 0.00 O ATOM 0 H GLY A 7 -22.828 14.987 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.707 13.675 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.765 12.588 11.540 1.00 0.00 H new ATOM 66 N ARG A 8 -22.646 14.751 9.192 1.00 0.00 N ATOM 67 CA ARG A 8 -23.578 14.968 8.092 1.00 0.00 C ATOM 68 C ARG A 8 -22.914 14.673 6.750 1.00 0.00 C ATOM 69 O ARG A 8 -23.536 14.109 5.851 1.00 0.00 O ATOM 70 CB ARG A 8 -24.096 16.408 8.111 1.00 0.00 C ATOM 71 CG ARG A 8 -24.521 16.920 6.744 1.00 0.00 C ATOM 72 CD ARG A 8 -25.611 17.975 6.859 1.00 0.00 C ATOM 73 NE ARG A 8 -26.843 17.430 7.422 1.00 0.00 N ATOM 74 CZ ARG A 8 -28.019 18.042 7.346 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.123 19.213 6.734 1.00 0.00 N ATOM 76 NH2 ARG A 8 -29.096 17.482 7.883 1.00 0.00 N ATOM 0 H ARG A 8 -21.939 15.479 9.296 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.418 14.285 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.944 16.471 8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.318 17.060 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.658 17.341 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.880 16.088 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.258 18.794 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.817 18.393 5.873 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.798 16.530 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.298 19.647 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.028 19.680 6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.021 16.581 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.999 17.953 7.824 1.00 0.00 H new ATOM 90 N GLN A 9 -21.648 15.059 6.625 1.00 0.00 N ATOM 91 CA GLN A 9 -20.901 14.836 5.393 1.00 0.00 C ATOM 92 C GLN A 9 -20.410 13.394 5.307 1.00 0.00 C ATOM 93 O GLN A 9 -19.800 12.994 4.316 1.00 0.00 O ATOM 94 CB GLN A 9 -19.713 15.797 5.311 1.00 0.00 C ATOM 95 CG GLN A 9 -18.676 15.395 4.276 1.00 0.00 C ATOM 96 CD GLN A 9 -17.676 16.499 3.992 1.00 0.00 C ATOM 97 OE1 GLN A 9 -16.510 16.410 4.376 1.00 0.00 O ATOM 98 NE2 GLN A 9 -18.129 17.548 3.316 1.00 0.00 N ATOM 0 H GLN A 9 -21.119 15.527 7.361 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.570 15.024 4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.080 16.796 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.235 15.855 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.145 14.510 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.180 15.120 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.104 17.580 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.502 18.322 3.096 1.00 0.00 H new ATOM 107 N VAL A 10 -20.681 12.619 6.352 1.00 0.00 N ATOM 108 CA VAL A 10 -20.268 11.221 6.394 1.00 0.00 C ATOM 109 C VAL A 10 -20.771 10.462 5.171 1.00 0.00 C ATOM 110 O VAL A 10 -19.984 10.036 4.327 1.00 0.00 O ATOM 111 CB VAL A 10 -20.783 10.522 7.666 1.00 0.00 C ATOM 112 CG1 VAL A 10 -20.105 9.173 7.846 1.00 0.00 C ATOM 113 CG2 VAL A 10 -20.564 11.405 8.885 1.00 0.00 C ATOM 0 H VAL A 10 -21.185 12.935 7.181 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.178 11.213 6.400 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.854 10.351 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.482 8.694 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -20.319 8.541 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.028 9.316 7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -20.934 10.895 9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.499 11.609 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -21.102 12.344 8.755 1.00 0.00 H new ATOM 123 N GLN A 11 -22.087 10.299 5.083 1.00 0.00 N ATOM 124 CA GLN A 11 -22.695 9.591 3.963 1.00 0.00 C ATOM 125 C GLN A 11 -22.857 10.513 2.759 1.00 0.00 C ATOM 126 O GLN A 11 -23.631 10.229 1.845 1.00 0.00 O ATOM 127 CB GLN A 11 -24.055 9.020 4.370 1.00 0.00 C ATOM 128 CG GLN A 11 -23.959 7.843 5.328 1.00 0.00 C ATOM 129 CD GLN A 11 -25.288 7.142 5.526 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.446 5.975 5.167 1.00 0.00 O ATOM 131 NE2 GLN A 11 -26.252 7.852 6.100 1.00 0.00 N ATOM 0 H GLN A 11 -22.752 10.647 5.773 1.00 0.00 H new ATOM 0 HA GLN A 11 -22.034 8.771 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.646 9.809 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.591 8.706 3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.229 7.129 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.590 8.193 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -26.076 8.816 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -27.168 7.433 6.259 1.00 0.00 H new ATOM 140 N LYS A 12 -22.122 11.620 2.766 1.00 0.00 N ATOM 141 CA LYS A 12 -22.183 12.586 1.675 1.00 0.00 C ATOM 142 C LYS A 12 -20.808 12.782 1.044 1.00 0.00 C ATOM 143 O LYS A 12 -20.691 13.324 -0.054 1.00 0.00 O ATOM 144 CB LYS A 12 -22.719 13.926 2.182 1.00 0.00 C ATOM 145 CG LYS A 12 -23.254 14.824 1.079 1.00 0.00 C ATOM 146 CD LYS A 12 -23.195 16.290 1.475 1.00 0.00 C ATOM 147 CE LYS A 12 -24.415 16.697 2.287 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.439 16.037 3.621 1.00 0.00 N ATOM 0 H LYS A 12 -21.477 11.871 3.515 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.860 12.195 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.513 13.740 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.923 14.450 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.675 14.668 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.284 14.549 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.292 16.475 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.130 16.908 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.420 17.779 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.320 16.438 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.008 16.606 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.857 15.089 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.468 15.954 3.985 1.00 0.00 H new ATOM 162 N GLU A 13 -19.771 12.336 1.747 1.00 0.00 N ATOM 163 CA GLU A 13 -18.404 12.463 1.255 1.00 0.00 C ATOM 164 C GLU A 13 -17.746 11.093 1.118 1.00 0.00 C ATOM 165 O GLU A 13 -17.061 10.817 0.132 1.00 0.00 O ATOM 166 CB GLU A 13 -17.580 13.346 2.194 1.00 0.00 C ATOM 167 CG GLU A 13 -16.082 13.111 2.092 1.00 0.00 C ATOM 168 CD GLU A 13 -15.509 13.563 0.763 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.956 13.047 -0.282 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.614 14.433 0.769 1.00 0.00 O ATOM 0 H GLU A 13 -19.852 11.884 2.658 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.441 12.929 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.791 14.392 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.898 13.166 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.579 13.643 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.874 12.050 2.231 1.00 0.00 H new ATOM 177 N LEU A 14 -17.958 10.240 2.114 1.00 0.00 N ATOM 178 CA LEU A 14 -17.385 8.898 2.106 1.00 0.00 C ATOM 179 C LEU A 14 -17.300 8.350 0.685 1.00 0.00 C ATOM 180 O LEU A 14 -16.220 8.275 0.102 1.00 0.00 O ATOM 181 CB LEU A 14 -18.222 7.960 2.978 1.00 0.00 C ATOM 182 CG LEU A 14 -17.780 6.497 3.006 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.389 6.371 3.608 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.778 5.653 3.784 1.00 0.00 C ATOM 0 H LEU A 14 -18.522 10.453 2.937 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.376 8.958 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.213 8.341 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.255 8.000 2.632 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.745 6.129 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.091 5.323 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.680 6.943 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.397 6.757 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.447 4.615 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.846 6.021 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.757 5.717 3.309 1.00 0.00 H new ATOM 196 N GLY A 15 -18.449 7.970 0.133 1.00 0.00 N ATOM 197 CA GLY A 15 -18.482 7.436 -1.216 1.00 0.00 C ATOM 198 C GLY A 15 -17.863 8.379 -2.228 1.00 0.00 C ATOM 199 O GLY A 15 -17.011 7.977 -3.020 1.00 0.00 O ATOM 0 H GLY A 15 -19.356 8.023 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.952 6.484 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.515 7.233 -1.498 1.00 0.00 H new ATOM 203 N ASP A 16 -18.293 9.636 -2.204 1.00 0.00 N ATOM 204 CA ASP A 16 -17.776 10.639 -3.128 1.00 0.00 C ATOM 205 C ASP A 16 -16.271 10.477 -3.319 1.00 0.00 C ATOM 206 O ASP A 16 -15.797 10.239 -4.430 1.00 0.00 O ATOM 207 CB ASP A 16 -18.088 12.045 -2.614 1.00 0.00 C ATOM 208 CG ASP A 16 -17.781 13.118 -3.641 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.856 12.912 -4.454 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.465 14.163 -3.630 1.00 0.00 O ATOM 0 H ASP A 16 -18.998 9.985 -1.555 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.264 10.496 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.141 12.102 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.509 12.235 -1.710 1.00 0.00 H new ATOM 215 N VAL A 17 -15.523 10.608 -2.227 1.00 0.00 N ATOM 216 CA VAL A 17 -14.072 10.476 -2.274 1.00 0.00 C ATOM 217 C VAL A 17 -13.649 9.410 -3.280 1.00 0.00 C ATOM 218 O VAL A 17 -14.279 8.358 -3.387 1.00 0.00 O ATOM 219 CB VAL A 17 -13.496 10.118 -0.891 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.987 9.943 -0.970 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.864 11.183 0.130 1.00 0.00 C ATOM 0 H VAL A 17 -15.899 10.805 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.676 11.443 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.931 9.172 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.598 9.690 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.750 9.142 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.531 10.871 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.449 10.914 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.458 12.144 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.949 11.255 0.206 1.00 0.00 H new ATOM 231 N LEU A 18 -12.578 9.690 -4.014 1.00 0.00 N ATOM 232 CA LEU A 18 -12.070 8.755 -5.012 1.00 0.00 C ATOM 233 C LEU A 18 -10.688 8.241 -4.622 1.00 0.00 C ATOM 234 O LEU A 18 -9.673 8.873 -4.914 1.00 0.00 O ATOM 235 CB LEU A 18 -12.007 9.428 -6.385 1.00 0.00 C ATOM 236 CG LEU A 18 -12.164 8.504 -7.593 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.635 8.241 -7.876 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.482 9.102 -8.814 1.00 0.00 C ATOM 0 H LEU A 18 -12.045 10.556 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.753 7.907 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.787 10.189 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.051 9.945 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.684 7.553 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.727 7.582 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.094 7.768 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.140 9.184 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.604 8.431 -9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.932 10.067 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.420 9.237 -8.608 1.00 0.00 H new ATOM 250 N VAL A 19 -10.656 7.088 -3.961 1.00 0.00 N ATOM 251 CA VAL A 19 -9.398 6.487 -3.533 1.00 0.00 C ATOM 252 C VAL A 19 -8.879 5.501 -4.573 1.00 0.00 C ATOM 253 O VAL A 19 -9.641 4.706 -5.125 1.00 0.00 O ATOM 254 CB VAL A 19 -9.554 5.759 -2.185 1.00 0.00 C ATOM 255 CG1 VAL A 19 -8.243 5.106 -1.775 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.037 6.723 -1.112 1.00 0.00 C ATOM 0 H VAL A 19 -11.487 6.552 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.681 7.300 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.302 4.975 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.373 4.597 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.944 4.383 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.471 5.870 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.142 6.192 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.314 7.531 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.002 7.138 -1.404 1.00 0.00 H new ATOM 266 N ARG A 20 -7.578 5.557 -4.836 1.00 0.00 N ATOM 267 CA ARG A 20 -6.956 4.669 -5.811 1.00 0.00 C ATOM 268 C ARG A 20 -5.804 3.891 -5.182 1.00 0.00 C ATOM 269 O ARG A 20 -5.059 4.423 -4.357 1.00 0.00 O ATOM 270 CB ARG A 20 -6.449 5.470 -7.012 1.00 0.00 C ATOM 271 CG ARG A 20 -6.450 4.684 -8.313 1.00 0.00 C ATOM 272 CD ARG A 20 -6.004 5.545 -9.484 1.00 0.00 C ATOM 273 NE ARG A 20 -5.900 4.775 -10.721 1.00 0.00 N ATOM 274 CZ ARG A 20 -5.767 5.328 -11.921 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.722 6.647 -12.046 1.00 0.00 N ATOM 276 NH2 ARG A 20 -5.679 4.561 -13.000 1.00 0.00 N ATOM 0 H ARG A 20 -6.934 6.208 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.710 3.958 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.069 6.358 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.436 5.815 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.788 3.823 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.451 4.297 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.712 6.362 -9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.038 5.996 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.931 3.757 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.790 7.240 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.620 7.069 -12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.714 3.546 -12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.577 4.987 -13.921 1.00 0.00 H new ATOM 290 N LEU A 21 -5.664 2.630 -5.574 1.00 0.00 N ATOM 291 CA LEU A 21 -4.603 1.778 -5.048 1.00 0.00 C ATOM 292 C LEU A 21 -3.607 1.410 -6.144 1.00 0.00 C ATOM 293 O LEU A 21 -3.966 0.777 -7.137 1.00 0.00 O ATOM 294 CB LEU A 21 -5.197 0.509 -4.436 1.00 0.00 C ATOM 295 CG LEU A 21 -4.197 -0.478 -3.834 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.325 0.211 -2.796 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.923 -1.666 -3.220 1.00 0.00 C ATOM 0 H LEU A 21 -6.272 2.174 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.074 2.334 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.902 0.801 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.769 -0.008 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.553 -0.845 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.620 -0.508 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.776 1.027 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.953 0.608 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.195 -2.358 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.592 -1.317 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.503 -2.176 -3.990 1.00 0.00 H new ATOM 309 N HIS A 22 -2.353 1.809 -5.955 1.00 0.00 N ATOM 310 CA HIS A 22 -1.304 1.518 -6.925 1.00 0.00 C ATOM 311 C HIS A 22 -0.640 0.178 -6.623 1.00 0.00 C ATOM 312 O HIS A 22 -0.737 -0.336 -5.510 1.00 0.00 O ATOM 313 CB HIS A 22 -0.256 2.631 -6.924 1.00 0.00 C ATOM 314 CG HIS A 22 -0.845 4.008 -6.944 1.00 0.00 C ATOM 315 ND1 HIS A 22 -0.647 4.897 -7.980 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.632 4.647 -6.047 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.286 6.023 -7.718 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.892 5.898 -6.552 1.00 0.00 N ATOM 0 H HIS A 22 -2.039 2.335 -5.139 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.763 1.462 -7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.372 2.526 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.392 2.509 -7.792 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -0.094 4.714 -8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.989 4.248 -5.109 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.309 6.898 -8.351 1.00 0.00 H new ATOM 327 N ASN A 23 0.033 -0.382 -7.623 1.00 0.00 N ATOM 328 CA ASN A 23 0.712 -1.664 -7.464 1.00 0.00 C ATOM 329 C ASN A 23 1.512 -1.698 -6.165 1.00 0.00 C ATOM 330 O ASN A 23 2.345 -0.832 -5.897 1.00 0.00 O ATOM 331 CB ASN A 23 1.638 -1.925 -8.653 1.00 0.00 C ATOM 332 CG ASN A 23 0.910 -2.553 -9.826 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.047 -3.413 -9.647 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.255 -2.125 -11.034 1.00 0.00 N ATOM 0 H ASN A 23 0.123 0.031 -8.551 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.046 -2.446 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.091 -0.986 -8.971 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.451 -2.581 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.799 -2.511 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.976 -1.410 -11.135 1.00 0.00 H new ATOM 341 N PRO A 24 1.254 -2.722 -5.338 1.00 0.00 N ATOM 342 CA PRO A 24 1.940 -2.895 -4.054 1.00 0.00 C ATOM 343 C PRO A 24 3.407 -3.276 -4.227 1.00 0.00 C ATOM 344 O PRO A 24 3.754 -4.457 -4.251 1.00 0.00 O ATOM 345 CB PRO A 24 1.167 -4.037 -3.390 1.00 0.00 C ATOM 346 CG PRO A 24 0.574 -4.803 -4.522 1.00 0.00 C ATOM 347 CD PRO A 24 0.274 -3.791 -5.594 1.00 0.00 C ATOM 0 HA PRO A 24 1.952 -1.974 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.826 -4.664 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.394 -3.656 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.267 -5.562 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.333 -5.322 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.393 -4.215 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.750 -3.423 -5.524 1.00 0.00 H new ATOM 355 N VAL A 25 4.265 -2.267 -4.348 1.00 0.00 N ATOM 356 CA VAL A 25 5.695 -2.496 -4.517 1.00 0.00 C ATOM 357 C VAL A 25 6.225 -3.463 -3.464 1.00 0.00 C ATOM 358 O VAL A 25 6.391 -3.099 -2.299 1.00 0.00 O ATOM 359 CB VAL A 25 6.488 -1.179 -4.434 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.967 -1.429 -4.683 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.937 -0.163 -5.424 1.00 0.00 C ATOM 0 H VAL A 25 3.994 -1.284 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 25 5.831 -2.931 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 25 6.377 -0.771 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.511 -0.487 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.351 -2.120 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.101 -1.860 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.509 0.762 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.016 -0.561 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.891 0.039 -5.194 1.00 0.00 H new ATOM 371 N VAL A 26 6.490 -4.697 -3.880 1.00 0.00 N ATOM 372 CA VAL A 26 7.003 -5.717 -2.974 1.00 0.00 C ATOM 373 C VAL A 26 8.462 -5.451 -2.618 1.00 0.00 C ATOM 374 O VAL A 26 9.341 -5.496 -3.480 1.00 0.00 O ATOM 375 CB VAL A 26 6.884 -7.125 -3.586 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.716 -7.227 -4.856 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.304 -8.182 -2.577 1.00 0.00 C ATOM 0 H VAL A 26 6.358 -5.015 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 26 6.396 -5.671 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 26 5.841 -7.301 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.620 -8.229 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.363 -6.495 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.762 -7.030 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.213 -9.171 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.339 -8.011 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.661 -8.123 -1.699 1.00 0.00 H new ATOM 387 N LEU A 27 8.713 -5.176 -1.343 1.00 0.00 N ATOM 388 CA LEU A 27 10.067 -4.904 -0.871 1.00 0.00 C ATOM 389 C LEU A 27 10.750 -6.186 -0.409 1.00 0.00 C ATOM 390 O LEU A 27 11.910 -6.439 -0.739 1.00 0.00 O ATOM 391 CB LEU A 27 10.035 -3.888 0.273 1.00 0.00 C ATOM 392 CG LEU A 27 9.339 -2.560 -0.028 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.145 -1.759 1.250 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.137 -1.759 -1.046 1.00 0.00 C ATOM 0 H LEU A 27 7.997 -5.135 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 27 10.638 -4.489 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.540 -4.349 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.061 -3.677 0.574 1.00 0.00 H new ATOM 0 HG LEU A 27 8.358 -2.773 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.648 -0.817 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.532 -2.330 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.115 -1.555 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.627 -0.817 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.132 -1.555 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.225 -2.330 -1.970 1.00 0.00 H new ATOM 406 N THR A 28 10.024 -6.995 0.356 1.00 0.00 N ATOM 407 CA THR A 28 10.560 -8.253 0.863 1.00 0.00 C ATOM 408 C THR A 28 9.498 -9.346 0.853 1.00 0.00 C ATOM 409 O THR A 28 8.298 -9.079 0.794 1.00 0.00 O ATOM 410 CB THR A 28 11.105 -8.094 2.295 1.00 0.00 C ATOM 411 OG1 THR A 28 10.385 -7.065 2.982 1.00 0.00 O ATOM 412 CG2 THR A 28 12.588 -7.756 2.275 1.00 0.00 C ATOM 0 H THR A 28 9.063 -6.802 0.638 1.00 0.00 H new ATOM 0 HA THR A 28 11.377 -8.539 0.201 1.00 0.00 H new ATOM 0 HB THR A 28 10.971 -9.041 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.448 -7.073 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.950 -7.649 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.137 -8.556 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.741 -6.821 1.736 1.00 0.00 H new ATOM 420 N PRO A 29 9.947 -10.609 0.914 1.00 0.00 N ATOM 421 CA PRO A 29 9.051 -11.769 0.915 1.00 0.00 C ATOM 422 C PRO A 29 8.256 -11.886 2.211 1.00 0.00 C ATOM 423 O PRO A 29 7.379 -12.741 2.339 1.00 0.00 O ATOM 424 CB PRO A 29 10.006 -12.955 0.765 1.00 0.00 C ATOM 425 CG PRO A 29 11.304 -12.468 1.310 1.00 0.00 C ATOM 426 CD PRO A 29 11.365 -11.001 0.987 1.00 0.00 C ATOM 0 HA PRO A 29 8.301 -11.706 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.647 -13.824 1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.103 -13.256 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.362 -12.633 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.141 -13.002 0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.897 -10.442 1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.882 -10.818 0.045 1.00 0.00 H new ATOM 434 N THR A 30 8.566 -11.020 3.171 1.00 0.00 N ATOM 435 CA THR A 30 7.881 -11.027 4.457 1.00 0.00 C ATOM 436 C THR A 30 7.214 -9.684 4.732 1.00 0.00 C ATOM 437 O THR A 30 6.404 -9.557 5.651 1.00 0.00 O ATOM 438 CB THR A 30 8.852 -11.350 5.609 1.00 0.00 C ATOM 439 OG1 THR A 30 9.991 -10.485 5.547 1.00 0.00 O ATOM 440 CG2 THR A 30 9.306 -12.800 5.542 1.00 0.00 C ATOM 0 H THR A 30 9.288 -10.305 3.082 1.00 0.00 H new ATOM 0 HA THR A 30 7.119 -11.804 4.405 1.00 0.00 H new ATOM 0 HB THR A 30 8.328 -11.192 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.602 -10.696 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.991 -13.005 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.439 -13.457 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.814 -12.979 4.594 1.00 0.00 H new ATOM 448 N THR A 31 7.558 -8.682 3.929 1.00 0.00 N ATOM 449 CA THR A 31 6.993 -7.348 4.086 1.00 0.00 C ATOM 450 C THR A 31 6.769 -6.683 2.732 1.00 0.00 C ATOM 451 O THR A 31 7.584 -6.818 1.820 1.00 0.00 O ATOM 452 CB THR A 31 7.904 -6.449 4.942 1.00 0.00 C ATOM 453 OG1 THR A 31 8.423 -7.191 6.051 1.00 0.00 O ATOM 454 CG2 THR A 31 7.143 -5.234 5.451 1.00 0.00 C ATOM 0 H THR A 31 8.226 -8.769 3.163 1.00 0.00 H new ATOM 0 HA THR A 31 6.035 -7.468 4.592 1.00 0.00 H new ATOM 0 HB THR A 31 8.728 -6.106 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.002 -6.612 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.808 -4.614 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.774 -4.655 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.301 -5.561 6.061 1.00 0.00 H new ATOM 462 N VAL A 32 5.658 -5.964 2.608 1.00 0.00 N ATOM 463 CA VAL A 32 5.327 -5.276 1.366 1.00 0.00 C ATOM 464 C VAL A 32 4.824 -3.862 1.638 1.00 0.00 C ATOM 465 O VAL A 32 4.156 -3.613 2.641 1.00 0.00 O ATOM 466 CB VAL A 32 4.258 -6.044 0.566 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.783 -5.219 -0.620 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.801 -7.389 0.107 1.00 0.00 C ATOM 0 H VAL A 32 4.972 -5.843 3.353 1.00 0.00 H new ATOM 0 HA VAL A 32 6.244 -5.226 0.778 1.00 0.00 H new ATOM 0 HB VAL A 32 3.403 -6.226 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.028 -5.778 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.353 -4.283 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.627 -5.004 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.033 -7.918 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.673 -7.232 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.087 -7.982 0.976 1.00 0.00 H new ATOM 478 N GLN A 33 5.151 -2.941 0.737 1.00 0.00 N ATOM 479 CA GLN A 33 4.732 -1.551 0.880 1.00 0.00 C ATOM 480 C GLN A 33 3.467 -1.278 0.073 1.00 0.00 C ATOM 481 O GLN A 33 3.404 -1.575 -1.120 1.00 0.00 O ATOM 482 CB GLN A 33 5.851 -0.610 0.432 1.00 0.00 C ATOM 483 CG GLN A 33 5.622 0.840 0.826 1.00 0.00 C ATOM 484 CD GLN A 33 4.526 1.499 0.013 1.00 0.00 C ATOM 485 OE1 GLN A 33 4.574 1.516 -1.217 1.00 0.00 O ATOM 486 NE2 GLN A 33 3.529 2.048 0.698 1.00 0.00 N ATOM 0 H GLN A 33 5.704 -3.132 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 33 4.515 -1.370 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.794 -0.950 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.954 -0.671 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.364 0.889 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.550 1.398 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.529 2.011 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.763 2.507 0.205 1.00 0.00 H new ATOM 495 N VAL A 34 2.462 -0.710 0.731 1.00 0.00 N ATOM 496 CA VAL A 34 1.199 -0.396 0.074 1.00 0.00 C ATOM 497 C VAL A 34 0.938 1.106 0.073 1.00 0.00 C ATOM 498 O VAL A 34 0.908 1.743 1.127 1.00 0.00 O ATOM 499 CB VAL A 34 0.017 -1.111 0.757 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.286 -0.794 0.040 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.259 -2.612 0.805 1.00 0.00 C ATOM 0 H VAL A 34 2.498 -0.458 1.719 1.00 0.00 H new ATOM 0 HA VAL A 34 1.282 -0.748 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.063 -0.747 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.109 -1.308 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.462 0.281 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.222 -1.128 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.585 -3.101 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.367 -2.996 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.169 -2.816 1.368 1.00 0.00 H new ATOM 511 N THR A 35 0.750 1.668 -1.117 1.00 0.00 N ATOM 512 CA THR A 35 0.492 3.096 -1.255 1.00 0.00 C ATOM 513 C THR A 35 -0.836 3.349 -1.959 1.00 0.00 C ATOM 514 O THR A 35 -1.283 2.540 -2.772 1.00 0.00 O ATOM 515 CB THR A 35 1.618 3.796 -2.040 1.00 0.00 C ATOM 516 OG1 THR A 35 2.879 3.561 -1.404 1.00 0.00 O ATOM 517 CG2 THR A 35 1.362 5.292 -2.134 1.00 0.00 C ATOM 0 H THR A 35 0.772 1.156 -1.999 1.00 0.00 H new ATOM 0 HA THR A 35 0.450 3.509 -0.247 1.00 0.00 H new ATOM 0 HB THR A 35 1.639 3.383 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.240 2.700 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.170 5.765 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.416 5.468 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.317 5.717 -1.131 1.00 0.00 H new ATOM 525 N TRP A 36 -1.462 4.477 -1.642 1.00 0.00 N ATOM 526 CA TRP A 36 -2.740 4.837 -2.245 1.00 0.00 C ATOM 527 C TRP A 36 -2.936 6.349 -2.243 1.00 0.00 C ATOM 528 O TRP A 36 -2.684 7.017 -1.240 1.00 0.00 O ATOM 529 CB TRP A 36 -3.889 4.160 -1.495 1.00 0.00 C ATOM 530 CG TRP A 36 -3.974 4.558 -0.053 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.503 5.713 0.449 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.513 3.803 1.073 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.399 5.721 1.819 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.796 4.560 2.226 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.891 2.560 1.219 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.477 4.114 3.506 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.575 2.119 2.489 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.868 2.894 3.620 1.00 0.00 C ATOM 0 H TRP A 36 -1.105 5.158 -0.971 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.736 4.492 -3.279 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.830 4.405 -1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.768 3.079 -1.559 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.939 6.504 -0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.719 6.470 2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.662 1.955 0.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.702 4.710 4.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.094 1.160 2.613 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.608 2.521 4.600 1.00 0.00 H new ATOM 549 N THR A 37 -3.389 6.884 -3.373 1.00 0.00 N ATOM 550 CA THR A 37 -3.618 8.317 -3.502 1.00 0.00 C ATOM 551 C THR A 37 -5.090 8.659 -3.304 1.00 0.00 C ATOM 552 O THR A 37 -5.973 7.919 -3.739 1.00 0.00 O ATOM 553 CB THR A 37 -3.162 8.838 -4.878 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.168 10.269 -4.887 1.00 0.00 O ATOM 555 CG2 THR A 37 -4.069 8.314 -5.982 1.00 0.00 C ATOM 0 H THR A 37 -3.604 6.345 -4.212 1.00 0.00 H new ATOM 0 HA THR A 37 -3.028 8.802 -2.725 1.00 0.00 H new ATOM 0 HB THR A 37 -2.149 8.479 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.875 10.592 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.728 8.695 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.039 7.224 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.091 8.647 -5.802 1.00 0.00 H new ATOM 563 N VAL A 38 -5.349 9.784 -2.646 1.00 0.00 N ATOM 564 CA VAL A 38 -6.715 10.225 -2.392 1.00 0.00 C ATOM 565 C VAL A 38 -6.964 11.610 -2.978 1.00 0.00 C ATOM 566 O VAL A 38 -6.311 12.582 -2.599 1.00 0.00 O ATOM 567 CB VAL A 38 -7.024 10.255 -0.883 1.00 0.00 C ATOM 568 CG1 VAL A 38 -6.549 8.974 -0.215 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.386 11.473 -0.234 1.00 0.00 C ATOM 0 H VAL A 38 -4.630 10.407 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.375 9.505 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.104 10.325 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.776 9.014 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.057 8.120 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.473 8.869 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.614 11.479 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.306 11.436 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.780 12.379 -0.694 1.00 0.00 H new ATOM 579 N ASP A 39 -7.912 11.692 -3.905 1.00 0.00 N ATOM 580 CA ASP A 39 -8.248 12.959 -4.544 1.00 0.00 C ATOM 581 C ASP A 39 -8.986 13.878 -3.575 1.00 0.00 C ATOM 582 O ASP A 39 -8.742 15.084 -3.540 1.00 0.00 O ATOM 583 CB ASP A 39 -9.106 12.716 -5.787 1.00 0.00 C ATOM 584 CG ASP A 39 -8.293 12.203 -6.960 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.017 10.986 -7.003 1.00 0.00 O ATOM 586 OD2 ASP A 39 -7.932 13.019 -7.834 1.00 0.00 O ATOM 0 H ASP A 39 -8.461 10.897 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.319 13.445 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.889 11.996 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.601 13.645 -6.070 1.00 0.00 H new ATOM 591 N ARG A 40 -9.888 13.299 -2.790 1.00 0.00 N ATOM 592 CA ARG A 40 -10.663 14.065 -1.821 1.00 0.00 C ATOM 593 C ARG A 40 -10.439 13.539 -0.407 1.00 0.00 C ATOM 594 O ARG A 40 -11.224 12.736 0.098 1.00 0.00 O ATOM 595 CB ARG A 40 -12.152 14.010 -2.168 1.00 0.00 C ATOM 596 CG ARG A 40 -12.456 14.385 -3.609 1.00 0.00 C ATOM 597 CD ARG A 40 -12.748 15.871 -3.748 1.00 0.00 C ATOM 598 NE ARG A 40 -12.485 16.356 -5.100 1.00 0.00 N ATOM 599 CZ ARG A 40 -11.286 16.744 -5.522 1.00 0.00 C ATOM 600 NH1 ARG A 40 -10.246 16.704 -4.701 1.00 0.00 N ATOM 601 NH2 ARG A 40 -11.126 17.174 -6.767 1.00 0.00 N ATOM 0 H ARG A 40 -10.100 12.302 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.326 15.101 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.524 13.003 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.696 14.682 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.609 14.119 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.312 13.810 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.790 16.061 -3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.137 16.428 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.264 16.399 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.365 16.375 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.327 17.002 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.924 17.207 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.205 17.471 -7.089 1.00 0.00 H new ATOM 615 N GLN A 41 -9.363 13.995 0.226 1.00 0.00 N ATOM 616 CA GLN A 41 -9.036 13.569 1.581 1.00 0.00 C ATOM 617 C GLN A 41 -10.180 13.880 2.541 1.00 0.00 C ATOM 618 O GLN A 41 -10.470 15.037 2.845 1.00 0.00 O ATOM 619 CB GLN A 41 -7.754 14.253 2.059 1.00 0.00 C ATOM 620 CG GLN A 41 -7.258 13.745 3.403 1.00 0.00 C ATOM 621 CD GLN A 41 -5.988 14.438 3.856 1.00 0.00 C ATOM 622 OE1 GLN A 41 -4.963 13.795 4.083 1.00 0.00 O ATOM 623 NE2 GLN A 41 -6.048 15.758 3.989 1.00 0.00 N ATOM 0 H GLN A 41 -8.703 14.659 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.880 12.490 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.973 14.104 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.929 15.327 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.035 13.893 4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.078 12.672 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.918 16.252 3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.224 16.278 4.290 1.00 0.00 H new ATOM 632 N PRO A 42 -10.847 12.824 3.030 1.00 0.00 N ATOM 633 CA PRO A 42 -11.969 12.960 3.963 1.00 0.00 C ATOM 634 C PRO A 42 -11.524 13.441 5.340 1.00 0.00 C ATOM 635 O PRO A 42 -10.490 13.014 5.851 1.00 0.00 O ATOM 636 CB PRO A 42 -12.532 11.539 4.049 1.00 0.00 C ATOM 637 CG PRO A 42 -11.383 10.654 3.709 1.00 0.00 C ATOM 638 CD PRO A 42 -10.555 11.416 2.711 1.00 0.00 C ATOM 0 HA PRO A 42 -12.693 13.701 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.915 11.325 5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.359 11.398 3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.799 10.413 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.729 9.709 3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.493 11.192 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.834 11.170 1.686 1.00 0.00 H new ATOM 646 N GLN A 43 -12.313 14.331 5.934 1.00 0.00 N ATOM 647 CA GLN A 43 -11.999 14.869 7.252 1.00 0.00 C ATOM 648 C GLN A 43 -12.618 14.013 8.352 1.00 0.00 C ATOM 649 O GLN A 43 -11.949 13.647 9.318 1.00 0.00 O ATOM 650 CB GLN A 43 -12.498 16.310 7.370 1.00 0.00 C ATOM 651 CG GLN A 43 -11.491 17.344 6.891 1.00 0.00 C ATOM 652 CD GLN A 43 -10.983 17.060 5.491 1.00 0.00 C ATOM 653 OE1 GLN A 43 -9.831 16.668 5.304 1.00 0.00 O ATOM 654 NE2 GLN A 43 -11.843 17.256 4.498 1.00 0.00 N ATOM 0 H GLN A 43 -13.173 14.694 5.524 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.916 14.856 7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.417 16.416 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.749 16.515 8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.952 18.332 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.648 17.371 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.788 17.582 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.558 17.081 3.534 1.00 0.00 H new ATOM 663 N PHE A 44 -13.899 13.697 8.198 1.00 0.00 N ATOM 664 CA PHE A 44 -14.609 12.884 9.179 1.00 0.00 C ATOM 665 C PHE A 44 -13.904 11.548 9.391 1.00 0.00 C ATOM 666 O PHE A 44 -13.957 10.972 10.478 1.00 0.00 O ATOM 667 CB PHE A 44 -16.051 12.646 8.728 1.00 0.00 C ATOM 668 CG PHE A 44 -16.169 11.693 7.573 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.808 12.086 6.294 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.639 10.404 7.766 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.915 11.211 5.230 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.748 9.524 6.706 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.385 9.928 5.436 1.00 0.00 C ATOM 0 H PHE A 44 -14.467 13.991 7.404 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.616 13.425 10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.627 12.258 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.498 13.600 8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.439 13.087 6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.924 10.083 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.631 11.530 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.116 8.522 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.468 9.242 4.606 1.00 0.00 H new ATOM 683 N ILE A 45 -13.243 11.062 8.346 1.00 0.00 N ATOM 684 CA ILE A 45 -12.527 9.795 8.417 1.00 0.00 C ATOM 685 C ILE A 45 -11.712 9.695 9.702 1.00 0.00 C ATOM 686 O ILE A 45 -11.282 10.707 10.255 1.00 0.00 O ATOM 687 CB ILE A 45 -11.587 9.610 7.211 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.337 8.123 6.955 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.274 10.341 7.446 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.715 7.838 5.605 1.00 0.00 C ATOM 0 H ILE A 45 -13.189 11.527 7.440 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.280 9.007 8.404 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.064 10.036 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.685 7.733 7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.282 7.586 7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.620 10.201 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.469 11.404 7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.790 9.942 8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.566 6.764 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.376 8.197 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.754 8.347 5.533 1.00 0.00 H new ATOM 702 N GLN A 46 -11.502 8.469 10.170 1.00 0.00 N ATOM 703 CA GLN A 46 -10.737 8.238 11.390 1.00 0.00 C ATOM 704 C GLN A 46 -9.390 7.598 11.074 1.00 0.00 C ATOM 705 O GLN A 46 -8.439 7.714 11.847 1.00 0.00 O ATOM 706 CB GLN A 46 -11.526 7.348 12.351 1.00 0.00 C ATOM 707 CG GLN A 46 -12.433 8.123 13.293 1.00 0.00 C ATOM 708 CD GLN A 46 -11.701 8.639 14.516 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.799 7.981 15.037 1.00 0.00 O ATOM 710 NE2 GLN A 46 -12.085 9.821 14.982 1.00 0.00 N ATOM 0 H GLN A 46 -11.851 7.621 9.723 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.558 9.203 11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.130 6.649 11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.827 6.754 12.940 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.874 8.963 12.757 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.255 7.481 13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.837 10.332 14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.628 10.218 15.803 1.00 0.00 H new ATOM 719 N GLY A 47 -9.315 6.919 9.933 1.00 0.00 N ATOM 720 CA GLY A 47 -8.080 6.269 9.536 1.00 0.00 C ATOM 721 C GLY A 47 -8.222 5.497 8.239 1.00 0.00 C ATOM 722 O GLY A 47 -9.091 5.799 7.421 1.00 0.00 O ATOM 0 H GLY A 47 -10.088 6.808 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.298 7.020 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.760 5.590 10.326 1.00 0.00 H new ATOM 726 N TYR A 48 -7.367 4.498 8.051 1.00 0.00 N ATOM 727 CA TYR A 48 -7.399 3.683 6.843 1.00 0.00 C ATOM 728 C TYR A 48 -7.175 2.210 7.173 1.00 0.00 C ATOM 729 O TYR A 48 -6.119 1.829 7.678 1.00 0.00 O ATOM 730 CB TYR A 48 -6.336 4.161 5.851 1.00 0.00 C ATOM 731 CG TYR A 48 -6.725 5.418 5.107 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.800 5.423 4.226 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.017 6.601 5.282 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.159 6.569 3.543 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.370 7.752 4.604 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.441 7.731 3.736 1.00 0.00 C ATOM 737 OH TYR A 48 -7.795 8.875 3.058 1.00 0.00 O ATOM 0 H TYR A 48 -6.644 4.233 8.720 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.385 3.790 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.404 4.340 6.388 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.141 3.367 5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.365 4.515 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.176 6.621 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.997 6.555 2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.810 8.663 4.753 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.189 9.604 3.308 1.00 0.00 H new ATOM 747 N ARG A 49 -8.178 1.387 6.884 1.00 0.00 N ATOM 748 CA ARG A 49 -8.093 -0.044 7.151 1.00 0.00 C ATOM 749 C ARG A 49 -7.568 -0.794 5.930 1.00 0.00 C ATOM 750 O ARG A 49 -8.303 -1.032 4.972 1.00 0.00 O ATOM 751 CB ARG A 49 -9.464 -0.592 7.549 1.00 0.00 C ATOM 752 CG ARG A 49 -9.394 -1.811 8.454 1.00 0.00 C ATOM 753 CD ARG A 49 -10.716 -2.055 9.164 1.00 0.00 C ATOM 754 NE ARG A 49 -10.549 -2.865 10.368 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.066 -2.391 11.512 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.705 -1.118 11.605 1.00 0.00 N ATOM 757 NH2 ARG A 49 -9.944 -3.190 12.564 1.00 0.00 N ATOM 0 H ARG A 49 -9.058 1.687 6.465 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.396 -0.194 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.027 0.193 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.018 -0.851 6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.129 -2.689 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.604 -1.673 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.167 -1.099 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.406 -2.554 8.484 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.818 -3.848 10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.798 -0.501 10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.335 -0.756 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.221 -4.169 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.573 -2.825 13.441 1.00 0.00 H new ATOM 771 N VAL A 50 -6.292 -1.162 5.973 1.00 0.00 N ATOM 772 CA VAL A 50 -5.668 -1.886 4.871 1.00 0.00 C ATOM 773 C VAL A 50 -5.899 -3.387 4.999 1.00 0.00 C ATOM 774 O VAL A 50 -5.091 -4.101 5.594 1.00 0.00 O ATOM 775 CB VAL A 50 -4.153 -1.614 4.807 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.518 -2.393 3.665 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.886 -0.123 4.660 1.00 0.00 C ATOM 0 H VAL A 50 -5.670 -0.971 6.758 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.133 -1.527 3.953 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.701 -1.951 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.448 -2.188 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.679 -3.460 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.971 -2.090 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.811 0.052 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.350 0.241 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.305 0.408 5.515 1.00 0.00 H new ATOM 787 N MET A 51 -7.006 -3.860 4.436 1.00 0.00 N ATOM 788 CA MET A 51 -7.342 -5.279 4.486 1.00 0.00 C ATOM 789 C MET A 51 -6.447 -6.083 3.548 1.00 0.00 C ATOM 790 O MET A 51 -6.097 -5.621 2.461 1.00 0.00 O ATOM 791 CB MET A 51 -8.811 -5.490 4.114 1.00 0.00 C ATOM 792 CG MET A 51 -9.760 -5.373 5.296 1.00 0.00 C ATOM 793 SD MET A 51 -11.451 -5.836 4.877 1.00 0.00 S ATOM 794 CE MET A 51 -11.275 -7.606 4.669 1.00 0.00 C ATOM 0 H MET A 51 -7.685 -3.283 3.940 1.00 0.00 H new ATOM 0 HA MET A 51 -7.179 -5.630 5.505 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.094 -4.758 3.357 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.925 -6.476 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.404 -6.008 6.107 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.749 -4.348 5.666 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.455 -7.870 3.627 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.266 -7.907 4.950 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.997 -8.120 5.303 1.00 0.00 H new ATOM 804 N TYR A 52 -6.081 -7.286 3.974 1.00 0.00 N ATOM 805 CA TYR A 52 -5.225 -8.153 3.173 1.00 0.00 C ATOM 806 C TYR A 52 -5.373 -9.610 3.599 1.00 0.00 C ATOM 807 O TYR A 52 -5.721 -9.901 4.744 1.00 0.00 O ATOM 808 CB TYR A 52 -3.763 -7.719 3.299 1.00 0.00 C ATOM 809 CG TYR A 52 -3.184 -7.936 4.679 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.374 -7.001 5.689 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.448 -9.077 4.973 1.00 0.00 C ATOM 812 CE1 TYR A 52 -2.846 -7.195 6.951 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.918 -9.280 6.232 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.119 -8.336 7.218 1.00 0.00 C ATOM 815 OH TYR A 52 -1.593 -8.534 8.474 1.00 0.00 O ATOM 0 H TYR A 52 -6.364 -7.684 4.870 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.535 -8.065 2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.165 -8.270 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.683 -6.663 3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.944 -6.107 5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.288 -9.818 4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.002 -6.457 7.724 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.349 -10.173 6.444 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.110 -9.386 8.496 1.00 0.00 H new ATOM 825 N ARG A 53 -5.106 -10.522 2.670 1.00 0.00 N ATOM 826 CA ARG A 53 -5.210 -11.949 2.948 1.00 0.00 C ATOM 827 C ARG A 53 -4.523 -12.767 1.858 1.00 0.00 C ATOM 828 O ARG A 53 -4.287 -12.273 0.755 1.00 0.00 O ATOM 829 CB ARG A 53 -6.678 -12.363 3.062 1.00 0.00 C ATOM 830 CG ARG A 53 -7.404 -12.408 1.727 1.00 0.00 C ATOM 831 CD ARG A 53 -8.535 -13.424 1.743 1.00 0.00 C ATOM 832 NE ARG A 53 -8.979 -13.769 0.395 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.189 -14.241 0.118 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.072 -14.423 1.090 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.519 -14.533 -1.134 1.00 0.00 N ATOM 0 H ARG A 53 -4.816 -10.298 1.718 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.710 -12.146 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.734 -13.346 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.193 -11.666 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.803 -11.421 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.698 -12.660 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.205 -14.326 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.375 -13.023 2.310 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.324 -13.640 -0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.823 -14.200 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.001 -14.786 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.843 -14.395 -1.885 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.449 -14.895 -1.345 1.00 0.00 H new ATOM 849 N GLN A 54 -4.206 -14.018 2.175 1.00 0.00 N ATOM 850 CA GLN A 54 -3.545 -14.902 1.222 1.00 0.00 C ATOM 851 C GLN A 54 -4.528 -15.397 0.167 1.00 0.00 C ATOM 852 O GLN A 54 -5.705 -15.621 0.454 1.00 0.00 O ATOM 853 CB GLN A 54 -2.918 -16.093 1.950 1.00 0.00 C ATOM 854 CG GLN A 54 -1.677 -16.641 1.264 1.00 0.00 C ATOM 855 CD GLN A 54 -0.856 -17.536 2.170 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.711 -17.266 3.363 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.314 -18.611 1.608 1.00 0.00 N ATOM 0 H GLN A 54 -4.396 -14.442 3.083 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.759 -14.335 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.659 -15.792 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.659 -16.889 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.974 -17.202 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.059 -15.811 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.460 -18.796 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.248 -19.251 2.169 1.00 0.00 H new ATOM 866 N THR A 55 -4.039 -15.565 -1.058 1.00 0.00 N ATOM 867 CA THR A 55 -4.875 -16.032 -2.157 1.00 0.00 C ATOM 868 C THR A 55 -4.645 -17.514 -2.432 1.00 0.00 C ATOM 869 O THR A 55 -5.589 -18.261 -2.689 1.00 0.00 O ATOM 870 CB THR A 55 -4.603 -15.234 -3.447 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.278 -15.501 -3.918 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.770 -13.741 -3.205 1.00 0.00 C ATOM 0 H THR A 55 -3.068 -15.385 -1.314 1.00 0.00 H new ATOM 0 HA THR A 55 -5.911 -15.878 -1.854 1.00 0.00 H new ATOM 0 HB THR A 55 -5.326 -15.547 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.288 -15.579 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.573 -13.198 -4.130 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.789 -13.538 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.068 -13.416 -2.437 1.00 0.00 H new ATOM 880 N SER A 56 -3.385 -17.933 -2.377 1.00 0.00 N ATOM 881 CA SER A 56 -3.031 -19.326 -2.623 1.00 0.00 C ATOM 882 C SER A 56 -2.251 -19.904 -1.446 1.00 0.00 C ATOM 883 O SER A 56 -1.589 -19.177 -0.707 1.00 0.00 O ATOM 884 CB SER A 56 -2.204 -19.445 -3.904 1.00 0.00 C ATOM 885 OG SER A 56 -2.149 -20.788 -4.352 1.00 0.00 O ATOM 0 H SER A 56 -2.592 -17.328 -2.164 1.00 0.00 H new ATOM 0 HA SER A 56 -3.954 -19.895 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.639 -18.817 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.194 -19.077 -3.724 1.00 0.00 H new ATOM 0 HG SER A 56 -1.616 -20.837 -5.173 1.00 0.00 H new ATOM 891 N GLY A 57 -2.336 -21.221 -1.277 1.00 0.00 N ATOM 892 CA GLY A 57 -1.635 -21.876 -0.189 1.00 0.00 C ATOM 893 C GLY A 57 -2.581 -22.481 0.829 1.00 0.00 C ATOM 894 O GLY A 57 -3.624 -23.030 0.470 1.00 0.00 O ATOM 0 H GLY A 57 -2.878 -21.845 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.993 -22.658 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.985 -21.155 0.307 1.00 0.00 H new ATOM 898 N LEU A 58 -2.218 -22.382 2.103 1.00 0.00 N ATOM 899 CA LEU A 58 -3.041 -22.926 3.178 1.00 0.00 C ATOM 900 C LEU A 58 -3.913 -21.839 3.799 1.00 0.00 C ATOM 901 O LEU A 58 -5.115 -22.025 3.984 1.00 0.00 O ATOM 902 CB LEU A 58 -2.158 -23.562 4.252 1.00 0.00 C ATOM 903 CG LEU A 58 -2.763 -24.750 5.002 1.00 0.00 C ATOM 904 CD1 LEU A 58 -3.891 -24.288 5.911 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.262 -25.801 4.021 1.00 0.00 C ATOM 0 H LEU A 58 -1.359 -21.930 2.417 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.692 -23.690 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.229 -23.888 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.896 -22.794 4.980 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.986 -25.199 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.310 -25.146 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.504 -23.572 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.669 -23.814 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.689 -26.639 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.025 -25.364 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.430 -26.154 3.411 1.00 0.00 H new ATOM 917 N GLN A 59 -3.298 -20.704 4.117 1.00 0.00 N ATOM 918 CA GLN A 59 -4.019 -19.587 4.715 1.00 0.00 C ATOM 919 C GLN A 59 -4.692 -18.736 3.643 1.00 0.00 C ATOM 920 O GLN A 59 -4.810 -17.519 3.786 1.00 0.00 O ATOM 921 CB GLN A 59 -3.066 -18.724 5.545 1.00 0.00 C ATOM 922 CG GLN A 59 -2.381 -19.482 6.670 1.00 0.00 C ATOM 923 CD GLN A 59 -3.365 -20.041 7.680 1.00 0.00 C ATOM 924 OE1 GLN A 59 -4.234 -19.326 8.178 1.00 0.00 O ATOM 925 NE2 GLN A 59 -3.232 -21.326 7.987 1.00 0.00 N ATOM 0 H GLN A 59 -2.303 -20.534 3.970 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.792 -19.994 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.306 -18.302 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.622 -17.887 5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.795 -20.299 6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.682 -18.817 7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.497 -21.881 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.865 -21.758 8.660 1.00 0.00 H new ATOM 934 N ALA A 60 -5.131 -19.384 2.569 1.00 0.00 N ATOM 935 CA ALA A 60 -5.793 -18.688 1.474 1.00 0.00 C ATOM 936 C ALA A 60 -7.295 -18.583 1.718 1.00 0.00 C ATOM 937 O ALA A 60 -7.929 -19.538 2.168 1.00 0.00 O ATOM 938 CB ALA A 60 -5.519 -19.395 0.155 1.00 0.00 C ATOM 0 H ALA A 60 -5.040 -20.391 2.434 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.388 -17.677 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.020 -18.863 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.445 -19.412 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.895 -20.417 0.205 1.00 0.00 H new ATOM 944 N THR A 61 -7.859 -17.417 1.419 1.00 0.00 N ATOM 945 CA THR A 61 -9.286 -17.188 1.608 1.00 0.00 C ATOM 946 C THR A 61 -9.777 -17.816 2.907 1.00 0.00 C ATOM 947 O THR A 61 -10.944 -18.189 3.025 1.00 0.00 O ATOM 948 CB THR A 61 -10.106 -17.756 0.434 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.482 -17.385 0.574 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.988 -19.271 0.375 1.00 0.00 C ATOM 0 H THR A 61 -7.349 -16.617 1.045 1.00 0.00 H new ATOM 0 HA THR A 61 -9.429 -16.108 1.653 1.00 0.00 H new ATOM 0 HB THR A 61 -9.710 -17.340 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.793 -17.617 1.474 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.575 -19.649 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.943 -19.550 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.361 -19.701 1.304 1.00 0.00 H new ATOM 958 N SER A 62 -8.878 -17.930 3.880 1.00 0.00 N ATOM 959 CA SER A 62 -9.220 -18.516 5.171 1.00 0.00 C ATOM 960 C SER A 62 -9.765 -17.455 6.122 1.00 0.00 C ATOM 961 O SER A 62 -10.851 -17.606 6.682 1.00 0.00 O ATOM 962 CB SER A 62 -7.993 -19.191 5.789 1.00 0.00 C ATOM 963 OG SER A 62 -8.347 -19.933 6.943 1.00 0.00 O ATOM 0 H SER A 62 -7.908 -17.625 3.799 1.00 0.00 H new ATOM 0 HA SER A 62 -9.995 -19.265 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.529 -19.851 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.252 -18.436 6.051 1.00 0.00 H new ATOM 0 HG SER A 62 -7.547 -20.356 7.318 1.00 0.00 H new ATOM 969 N SER A 63 -9.002 -16.382 6.301 1.00 0.00 N ATOM 970 CA SER A 63 -9.405 -15.296 7.187 1.00 0.00 C ATOM 971 C SER A 63 -8.789 -13.973 6.741 1.00 0.00 C ATOM 972 O SER A 63 -7.573 -13.863 6.588 1.00 0.00 O ATOM 973 CB SER A 63 -8.990 -15.605 8.627 1.00 0.00 C ATOM 974 OG SER A 63 -7.582 -15.708 8.741 1.00 0.00 O ATOM 0 H SER A 63 -8.101 -16.241 5.844 1.00 0.00 H new ATOM 0 HA SER A 63 -10.490 -15.205 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.355 -14.821 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.453 -16.537 8.950 1.00 0.00 H new ATOM 0 HG SER A 63 -7.157 -15.212 8.010 1.00 0.00 H new ATOM 980 N TRP A 64 -9.639 -12.974 6.534 1.00 0.00 N ATOM 981 CA TRP A 64 -9.179 -11.657 6.105 1.00 0.00 C ATOM 982 C TRP A 64 -8.547 -10.897 7.265 1.00 0.00 C ATOM 983 O TRP A 64 -8.993 -11.008 8.407 1.00 0.00 O ATOM 984 CB TRP A 64 -10.343 -10.852 5.525 1.00 0.00 C ATOM 985 CG TRP A 64 -10.514 -11.036 4.047 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.374 -11.893 3.422 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.806 -10.348 3.010 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.243 -11.779 2.059 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.288 -10.837 1.781 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.813 -9.365 3.001 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.809 -10.377 0.557 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.338 -8.909 1.786 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.837 -9.415 0.578 1.00 0.00 C ATOM 0 H TRP A 64 -10.649 -13.050 6.656 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.423 -11.797 5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.264 -11.144 6.029 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.185 -9.794 5.736 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.057 -12.562 3.925 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.771 -12.310 1.366 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.424 -8.969 3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.191 -10.766 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.570 -8.150 1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.446 -9.038 -0.355 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.508 -10.125 6.965 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.815 -9.346 7.985 1.00 0.00 C ATOM 1006 C GLN A 65 -6.982 -7.851 7.735 1.00 0.00 C ATOM 1007 O GLN A 65 -7.591 -7.441 6.749 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.329 -9.708 8.011 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.036 -11.026 8.711 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.737 -11.656 8.249 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.601 -12.045 7.089 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -2.773 -11.759 9.157 1.00 0.00 N ATOM 0 H GLN A 65 -7.127 -10.022 6.024 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.257 -9.586 8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.958 -9.760 6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.778 -8.911 8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.992 -10.859 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.857 -11.720 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.930 -11.423 10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.876 -12.174 8.904 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.436 -7.041 8.637 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.525 -5.590 8.514 1.00 0.00 C ATOM 1023 C ASN A 66 -5.452 -4.906 9.356 1.00 0.00 C ATOM 1024 O ASN A 66 -5.165 -5.328 10.478 1.00 0.00 O ATOM 1025 CB ASN A 66 -7.912 -5.106 8.944 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.452 -5.879 10.131 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -7.742 -6.114 11.108 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.716 -6.279 10.051 1.00 0.00 N ATOM 0 H ASN A 66 -5.928 -7.364 9.460 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.363 -5.328 7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.862 -4.047 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.603 -5.202 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.135 -6.803 10.819 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.268 -6.062 9.221 1.00 0.00 H new ATOM 1035 N LEU A 67 -4.863 -3.849 8.808 1.00 0.00 N ATOM 1036 CA LEU A 67 -3.822 -3.105 9.509 1.00 0.00 C ATOM 1037 C LEU A 67 -4.274 -1.677 9.798 1.00 0.00 C ATOM 1038 O LEU A 67 -4.177 -0.799 8.941 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.536 -3.087 8.681 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.345 -2.361 9.306 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.676 -3.238 10.354 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.345 -1.953 8.234 1.00 0.00 C ATOM 0 H LEU A 67 -5.088 -3.488 7.881 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.629 -3.605 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.243 -4.117 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.754 -2.624 7.719 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.711 -1.458 9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.170 -2.705 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.394 -3.480 11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.324 -4.158 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.496 -1.438 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.015 -2.841 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.829 -1.287 7.519 1.00 0.00 H new ATOM 1054 N ASP A 68 -4.766 -1.453 11.011 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.229 -0.130 11.415 1.00 0.00 C ATOM 1056 C ASP A 68 -4.077 0.870 11.427 1.00 0.00 C ATOM 1057 O ASP A 68 -3.292 0.915 12.374 1.00 0.00 O ATOM 1058 CB ASP A 68 -5.879 -0.195 12.799 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.109 -1.079 13.759 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -3.865 -0.975 13.794 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -5.750 -1.874 14.477 1.00 0.00 O ATOM 0 H ASP A 68 -4.855 -2.169 11.732 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.969 0.206 10.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.948 0.811 13.212 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.898 -0.570 12.702 1.00 0.00 H new ATOM 1066 N ALA A 69 -3.983 1.668 10.370 1.00 0.00 N ATOM 1067 CA ALA A 69 -2.928 2.668 10.259 1.00 0.00 C ATOM 1068 C ALA A 69 -2.971 3.643 11.430 1.00 0.00 C ATOM 1069 O ALA A 69 -1.937 4.151 11.868 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.047 3.418 8.941 1.00 0.00 C ATOM 0 H ALA A 69 -4.625 1.642 9.578 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.968 2.152 10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.253 4.161 8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.959 2.715 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.015 3.916 8.892 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.172 3.903 11.935 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.351 4.817 13.056 1.00 0.00 C ATOM 1078 C LYS A 70 -3.920 6.231 12.679 1.00 0.00 C ATOM 1079 O LYS A 70 -3.556 7.031 13.542 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.550 4.334 14.267 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.314 3.370 15.157 1.00 0.00 C ATOM 1082 CD LYS A 70 -5.366 4.089 15.984 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.934 3.188 17.070 1.00 0.00 C ATOM 1084 NZ LYS A 70 -6.542 3.973 18.180 1.00 0.00 N ATOM 0 H LYS A 70 -5.037 3.492 11.585 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.410 4.835 13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.638 3.849 13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.246 5.198 14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.792 2.607 14.543 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.618 2.856 15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.928 4.977 16.439 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.172 4.429 15.333 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.686 2.528 16.638 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.142 2.553 17.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.918 3.323 18.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.819 4.585 18.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.315 4.560 17.807 1.00 0.00 H new ATOM 1098 N VAL A 71 -3.964 6.533 11.385 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.580 7.852 10.895 1.00 0.00 C ATOM 1100 C VAL A 71 -4.329 8.201 9.614 1.00 0.00 C ATOM 1101 O VAL A 71 -4.035 7.688 8.534 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.065 7.933 10.629 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.670 9.342 10.214 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.285 7.491 11.858 1.00 0.00 C ATOM 0 H VAL A 71 -4.261 5.883 10.658 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.843 8.568 11.673 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.820 7.257 9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.596 9.380 10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.204 9.616 9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.927 10.041 11.010 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.216 7.554 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.532 8.139 12.698 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.547 6.462 12.104 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.322 9.095 9.733 1.00 0.00 N ATOM 1115 CA PRO A 72 -6.134 9.533 8.595 1.00 0.00 C ATOM 1116 C PRO A 72 -5.343 10.396 7.617 1.00 0.00 C ATOM 1117 O PRO A 72 -5.756 10.597 6.475 1.00 0.00 O ATOM 1118 CB PRO A 72 -7.250 10.352 9.249 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.666 10.830 10.533 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.728 9.746 10.990 1.00 0.00 C ATOM 0 HA PRO A 72 -6.495 8.691 8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.551 11.187 8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.139 9.745 9.420 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.136 11.772 10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.445 11.009 11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.871 10.155 11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.221 9.046 11.664 1.00 0.00 H new ATOM 1128 N THR A 73 -4.202 10.905 8.073 1.00 0.00 N ATOM 1129 CA THR A 73 -3.354 11.747 7.239 1.00 0.00 C ATOM 1130 C THR A 73 -2.354 10.909 6.449 1.00 0.00 C ATOM 1131 O THR A 73 -1.732 11.395 5.506 1.00 0.00 O ATOM 1132 CB THR A 73 -2.586 12.781 8.083 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.890 12.125 9.148 1.00 0.00 O ATOM 1134 CG2 THR A 73 -3.534 13.823 8.656 1.00 0.00 C ATOM 0 H THR A 73 -3.845 10.748 9.015 1.00 0.00 H new ATOM 0 HA THR A 73 -4.012 12.271 6.546 1.00 0.00 H new ATOM 0 HB THR A 73 -1.867 13.284 7.436 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.403 12.789 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.969 14.543 9.248 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.040 14.341 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.273 13.333 9.289 1.00 0.00 H new ATOM 1142 N GLU A 74 -2.206 9.647 6.842 1.00 0.00 N ATOM 1143 CA GLU A 74 -1.281 8.743 6.169 1.00 0.00 C ATOM 1144 C GLU A 74 -1.993 7.948 5.078 1.00 0.00 C ATOM 1145 O GLU A 74 -3.181 7.644 5.192 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.644 7.786 7.179 1.00 0.00 C ATOM 1147 CG GLU A 74 0.535 8.386 7.927 1.00 0.00 C ATOM 1148 CD GLU A 74 1.856 8.145 7.223 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.390 7.021 7.330 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.357 9.081 6.565 1.00 0.00 O ATOM 0 H GLU A 74 -2.714 9.229 7.621 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.499 9.344 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.401 7.476 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.313 6.888 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.379 9.459 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.579 7.961 8.930 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.259 7.616 4.021 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.820 6.859 2.909 1.00 0.00 C ATOM 1159 C ARG A 75 -0.942 5.658 2.571 1.00 0.00 C ATOM 1160 O ARG A 75 -1.230 4.907 1.639 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.972 7.755 1.679 1.00 0.00 C ATOM 1162 CG ARG A 75 -0.959 8.887 1.622 1.00 0.00 C ATOM 1163 CD ARG A 75 -1.497 10.150 2.276 1.00 0.00 C ATOM 1164 NE ARG A 75 -0.939 11.358 1.675 1.00 0.00 N ATOM 1165 CZ ARG A 75 -1.047 12.566 2.218 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -1.687 12.725 3.367 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -0.512 13.618 1.610 1.00 0.00 N ATOM 0 H ARG A 75 -0.275 7.859 3.912 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.803 6.496 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.874 7.145 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.977 8.177 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.040 8.580 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.702 9.095 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.583 10.170 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.264 10.134 3.341 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.439 11.270 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.099 11.919 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.768 13.654 3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.018 13.499 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.595 14.545 2.027 1.00 0.00 H new ATOM 1181 N SER A 76 0.132 5.482 3.335 1.00 0.00 N ATOM 1182 CA SER A 76 1.055 4.375 3.115 1.00 0.00 C ATOM 1183 C SER A 76 1.138 3.482 4.349 1.00 0.00 C ATOM 1184 O SER A 76 1.045 3.958 5.480 1.00 0.00 O ATOM 1185 CB SER A 76 2.445 4.906 2.761 1.00 0.00 C ATOM 1186 OG SER A 76 3.457 4.007 3.183 1.00 0.00 O ATOM 0 H SER A 76 0.384 6.093 4.112 1.00 0.00 H new ATOM 0 HA SER A 76 0.678 3.780 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.516 5.059 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.598 5.877 3.232 1.00 0.00 H new ATOM 0 HG SER A 76 4.336 4.368 2.944 1.00 0.00 H new ATOM 1192 N ALA A 77 1.312 2.185 4.122 1.00 0.00 N ATOM 1193 CA ALA A 77 1.409 1.225 5.215 1.00 0.00 C ATOM 1194 C ALA A 77 2.431 0.137 4.900 1.00 0.00 C ATOM 1195 O ALA A 77 2.932 0.047 3.779 1.00 0.00 O ATOM 1196 CB ALA A 77 0.048 0.606 5.497 1.00 0.00 C ATOM 0 H ALA A 77 1.389 1.774 3.191 1.00 0.00 H new ATOM 0 HA ALA A 77 1.745 1.758 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.136 -0.109 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.658 1.389 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.311 0.093 4.604 1.00 0.00 H new ATOM 1202 N VAL A 78 2.738 -0.687 5.898 1.00 0.00 N ATOM 1203 CA VAL A 78 3.700 -1.769 5.727 1.00 0.00 C ATOM 1204 C VAL A 78 3.181 -3.067 6.335 1.00 0.00 C ATOM 1205 O VAL A 78 3.146 -3.223 7.556 1.00 0.00 O ATOM 1206 CB VAL A 78 5.056 -1.420 6.369 1.00 0.00 C ATOM 1207 CG1 VAL A 78 6.026 -2.584 6.234 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.633 -0.159 5.744 1.00 0.00 C ATOM 0 H VAL A 78 2.334 -0.625 6.833 1.00 0.00 H new ATOM 0 HA VAL A 78 3.838 -1.904 4.654 1.00 0.00 H new ATOM 0 HB VAL A 78 4.898 -1.231 7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.978 -2.319 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.614 -3.461 6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.182 -2.807 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.591 0.072 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.778 -0.316 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.944 0.672 5.899 1.00 0.00 H new ATOM 1218 N LEU A 79 2.778 -3.996 5.476 1.00 0.00 N ATOM 1219 CA LEU A 79 2.261 -5.283 5.927 1.00 0.00 C ATOM 1220 C LEU A 79 3.399 -6.258 6.213 1.00 0.00 C ATOM 1221 O LEU A 79 4.096 -6.700 5.299 1.00 0.00 O ATOM 1222 CB LEU A 79 1.319 -5.874 4.876 1.00 0.00 C ATOM 1223 CG LEU A 79 0.259 -4.926 4.316 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.411 -5.536 3.095 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.774 -4.590 5.382 1.00 0.00 C ATOM 0 H LEU A 79 2.799 -3.882 4.463 1.00 0.00 H new ATOM 0 HA LEU A 79 1.707 -5.120 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.920 -6.245 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.813 -6.735 5.313 1.00 0.00 H new ATOM 0 HG LEU A 79 0.750 -4.002 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.163 -4.847 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.337 -5.724 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.889 -6.475 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.521 -3.914 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.261 -5.505 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.281 -4.109 6.227 1.00 0.00 H new ATOM 1237 N VAL A 80 3.580 -6.591 7.487 1.00 0.00 N ATOM 1238 CA VAL A 80 4.631 -7.517 7.893 1.00 0.00 C ATOM 1239 C VAL A 80 4.063 -8.902 8.180 1.00 0.00 C ATOM 1240 O VAL A 80 2.851 -9.109 8.130 1.00 0.00 O ATOM 1241 CB VAL A 80 5.374 -7.009 9.143 1.00 0.00 C ATOM 1242 CG1 VAL A 80 5.956 -5.626 8.894 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.443 -6.995 10.346 1.00 0.00 C ATOM 0 H VAL A 80 3.013 -6.234 8.256 1.00 0.00 H new ATOM 0 HA VAL A 80 5.334 -7.582 7.063 1.00 0.00 H new ATOM 0 HB VAL A 80 6.198 -7.690 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.477 -5.284 9.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.657 -5.671 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.152 -4.930 8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.984 -6.634 11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.598 -6.337 10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.079 -8.005 10.536 1.00 0.00 H new ATOM 1253 N ASN A 81 4.947 -9.847 8.482 1.00 0.00 N ATOM 1254 CA ASN A 81 4.534 -11.214 8.777 1.00 0.00 C ATOM 1255 C ASN A 81 3.764 -11.815 7.605 1.00 0.00 C ATOM 1256 O ASN A 81 2.689 -12.390 7.783 1.00 0.00 O ATOM 1257 CB ASN A 81 3.670 -11.246 10.039 1.00 0.00 C ATOM 1258 CG ASN A 81 4.439 -10.829 11.278 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.670 -10.796 11.275 1.00 0.00 O ATOM 1260 ND2 ASN A 81 3.716 -10.508 12.344 1.00 0.00 N ATOM 0 H ASN A 81 5.954 -9.691 8.529 1.00 0.00 H new ATOM 0 HA ASN A 81 5.431 -11.810 8.943 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.814 -10.585 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.276 -12.252 10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.179 -10.220 13.206 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.698 -10.550 12.301 1.00 0.00 H new ATOM 1267 N LEU A 82 4.321 -11.679 6.407 1.00 0.00 N ATOM 1268 CA LEU A 82 3.687 -12.209 5.204 1.00 0.00 C ATOM 1269 C LEU A 82 4.384 -13.483 4.738 1.00 0.00 C ATOM 1270 O LEU A 82 5.539 -13.734 5.084 1.00 0.00 O ATOM 1271 CB LEU A 82 3.712 -11.163 4.088 1.00 0.00 C ATOM 1272 CG LEU A 82 2.921 -9.881 4.352 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.186 -8.856 3.260 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.433 -10.184 4.452 1.00 0.00 C ATOM 0 H LEU A 82 5.210 -11.207 6.242 1.00 0.00 H new ATOM 0 HA LEU A 82 2.652 -12.450 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.750 -10.892 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.327 -11.623 3.178 1.00 0.00 H new ATOM 0 HG LEU A 82 3.251 -9.462 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.615 -7.950 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.249 -8.617 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.884 -9.265 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.885 -9.260 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.088 -10.626 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.258 -10.882 5.270 1.00 0.00 H new ATOM 1286 N LYS A 83 3.676 -14.284 3.949 1.00 0.00 N ATOM 1287 CA LYS A 83 4.227 -15.531 3.431 1.00 0.00 C ATOM 1288 C LYS A 83 5.152 -15.267 2.248 1.00 0.00 C ATOM 1289 O LYS A 83 4.972 -14.299 1.509 1.00 0.00 O ATOM 1290 CB LYS A 83 3.098 -16.474 3.009 1.00 0.00 C ATOM 1291 CG LYS A 83 2.452 -17.208 4.172 1.00 0.00 C ATOM 1292 CD LYS A 83 3.169 -18.513 4.475 1.00 0.00 C ATOM 1293 CE LYS A 83 2.583 -19.669 3.678 1.00 0.00 C ATOM 1294 NZ LYS A 83 3.002 -20.989 4.226 1.00 0.00 N ATOM 0 H LYS A 83 2.719 -14.092 3.654 1.00 0.00 H new ATOM 0 HA LYS A 83 4.807 -16.001 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.335 -15.901 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.491 -17.205 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.464 -16.571 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.407 -17.412 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.229 -18.410 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.096 -18.730 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.495 -19.601 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.900 -19.590 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.582 -21.751 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.039 -21.064 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.678 -21.075 5.210 1.00 0.00 H new ATOM 1308 N LYS A 84 6.143 -16.135 2.072 1.00 0.00 N ATOM 1309 CA LYS A 84 7.096 -15.999 0.977 1.00 0.00 C ATOM 1310 C LYS A 84 6.711 -16.897 -0.194 1.00 0.00 C ATOM 1311 O LYS A 84 6.339 -18.054 -0.005 1.00 0.00 O ATOM 1312 CB LYS A 84 8.508 -16.343 1.456 1.00 0.00 C ATOM 1313 CG LYS A 84 8.783 -15.923 2.889 1.00 0.00 C ATOM 1314 CD LYS A 84 10.069 -16.540 3.414 1.00 0.00 C ATOM 1315 CE LYS A 84 10.427 -15.998 4.789 1.00 0.00 C ATOM 1316 NZ LYS A 84 9.656 -16.674 5.870 1.00 0.00 N ATOM 0 H LYS A 84 6.307 -16.941 2.675 1.00 0.00 H new ATOM 0 HA LYS A 84 7.077 -14.963 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.661 -17.418 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.233 -15.861 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.851 -14.836 2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.949 -16.223 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.959 -17.623 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.883 -16.335 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.494 -16.132 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.231 -14.926 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.929 -16.276 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.638 -16.525 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.862 -17.693 5.858 1.00 0.00 H new ATOM 1330 N GLY A 85 6.805 -16.356 -1.405 1.00 0.00 N ATOM 1331 CA GLY A 85 6.465 -17.124 -2.589 1.00 0.00 C ATOM 1332 C GLY A 85 4.971 -17.340 -2.730 1.00 0.00 C ATOM 1333 O GLY A 85 4.516 -18.465 -2.940 1.00 0.00 O ATOM 0 H GLY A 85 7.110 -15.400 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.840 -16.608 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.967 -18.091 -2.548 1.00 0.00 H new ATOM 1337 N VAL A 86 4.205 -16.260 -2.614 1.00 0.00 N ATOM 1338 CA VAL A 86 2.753 -16.337 -2.729 1.00 0.00 C ATOM 1339 C VAL A 86 2.148 -14.959 -2.971 1.00 0.00 C ATOM 1340 O VAL A 86 2.712 -13.941 -2.568 1.00 0.00 O ATOM 1341 CB VAL A 86 2.121 -16.949 -1.465 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.364 -16.054 -0.260 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.633 -17.184 -1.674 1.00 0.00 C ATOM 0 H VAL A 86 4.565 -15.322 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 86 2.536 -16.981 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 86 2.594 -17.912 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.910 -16.503 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.436 -15.942 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.920 -15.075 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.203 -17.617 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.142 -16.236 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.487 -17.868 -2.510 1.00 0.00 H new ATOM 1353 N THR A 87 0.995 -14.932 -3.631 1.00 0.00 N ATOM 1354 CA THR A 87 0.312 -13.679 -3.927 1.00 0.00 C ATOM 1355 C THR A 87 -0.515 -13.209 -2.736 1.00 0.00 C ATOM 1356 O THR A 87 -0.789 -13.979 -1.815 1.00 0.00 O ATOM 1357 CB THR A 87 -0.609 -13.817 -5.155 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.047 -14.749 -6.086 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.809 -12.472 -5.835 1.00 0.00 C ATOM 0 H THR A 87 0.514 -15.765 -3.971 1.00 0.00 H new ATOM 0 HA THR A 87 1.085 -12.941 -4.143 1.00 0.00 H new ATOM 0 HB THR A 87 -1.578 -14.182 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.639 -14.833 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.462 -12.595 -6.699 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.263 -11.773 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.155 -12.083 -6.162 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.912 -11.941 -2.761 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.707 -11.368 -1.682 1.00 0.00 C ATOM 1369 C TYR A 88 -2.591 -10.237 -2.198 1.00 0.00 C ATOM 1370 O TYR A 88 -2.123 -9.340 -2.898 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.795 -10.850 -0.568 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.468 -11.890 0.480 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.339 -12.141 1.533 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.711 -12.622 0.417 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -1.044 -13.089 2.493 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.013 -13.574 1.371 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.133 -13.804 2.408 1.00 0.00 C ATOM 1378 OH TYR A 88 0.431 -14.750 3.361 1.00 0.00 O ATOM 0 H TYR A 88 -0.696 -11.291 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.349 -12.153 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.133 -10.487 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.273 -9.998 -0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.262 -11.585 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.404 -12.444 -0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.731 -13.270 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.933 -14.135 1.305 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.180 -15.511 3.269 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.872 -10.288 -1.846 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.822 -9.268 -2.273 1.00 0.00 C ATOM 1390 C GLU A 89 -5.037 -8.230 -1.175 1.00 0.00 C ATOM 1391 O GLU A 89 -5.252 -8.577 -0.013 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.158 -9.910 -2.652 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.115 -8.958 -3.350 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.043 -9.668 -4.316 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -7.546 -10.453 -5.150 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.269 -9.440 -4.236 1.00 0.00 O ATOM 0 H GLU A 89 -4.275 -11.024 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.408 -8.766 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.969 -10.764 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.635 -10.295 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.708 -8.432 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.542 -8.204 -3.890 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.979 -6.958 -1.552 1.00 0.00 N ATOM 1404 CA ILE A 90 -5.168 -5.870 -0.600 1.00 0.00 C ATOM 1405 C ILE A 90 -5.907 -4.701 -1.241 1.00 0.00 C ATOM 1406 O ILE A 90 -5.710 -4.397 -2.417 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.822 -5.369 -0.043 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.946 -6.552 0.374 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -4.052 -4.432 1.134 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -2.106 -7.109 -0.755 1.00 0.00 C ATOM 0 H ILE A 90 -4.803 -6.655 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.765 -6.268 0.220 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.304 -4.816 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.289 -6.239 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.583 -7.344 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.092 -4.086 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.642 -3.576 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.587 -4.962 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.511 -7.945 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.758 -7.453 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.444 -6.331 -1.134 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.759 -4.046 -0.459 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.527 -2.907 -0.947 1.00 0.00 C ATOM 1424 C LYS A 91 -7.690 -1.853 0.143 1.00 0.00 C ATOM 1425 O LYS A 91 -7.872 -2.181 1.315 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.901 -3.365 -1.439 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.751 -4.007 -0.356 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.532 -5.509 -0.292 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.257 -6.129 0.893 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.730 -6.182 0.675 1.00 0.00 N ATOM 0 H LYS A 91 -6.935 -4.285 0.517 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.981 -2.462 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.435 -2.508 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.767 -4.076 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.509 -3.562 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.804 -3.800 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.884 -5.969 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.465 -5.719 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.878 -7.137 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.043 -5.552 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.188 -6.611 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.095 -5.218 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.936 -6.754 -0.169 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.624 -0.585 -0.251 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.768 0.518 0.692 1.00 0.00 C ATOM 1446 C VAL A 92 -9.200 1.040 0.713 1.00 0.00 C ATOM 1447 O VAL A 92 -9.782 1.326 -0.333 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.815 1.678 0.349 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.982 2.818 1.341 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.373 1.192 0.321 1.00 0.00 C ATOM 0 H VAL A 92 -7.472 -0.296 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.513 0.127 1.677 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.068 2.052 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.300 3.628 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.009 3.183 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.757 2.462 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.713 2.025 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.105 0.791 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.267 0.412 -0.433 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.761 1.163 1.911 1.00 0.00 N ATOM 1461 CA ARG A 93 -11.126 1.651 2.069 1.00 0.00 C ATOM 1462 C ARG A 93 -11.212 2.669 3.202 1.00 0.00 C ATOM 1463 O ARG A 93 -10.903 2.377 4.357 1.00 0.00 O ATOM 1464 CB ARG A 93 -12.079 0.485 2.343 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.587 -0.461 3.426 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.528 -1.643 3.602 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.243 -2.392 4.824 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.119 -3.198 5.412 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.329 -3.359 4.894 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -12.786 -3.845 6.522 1.00 0.00 N ATOM 0 H ARG A 93 -9.292 0.932 2.787 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.419 2.141 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.052 0.882 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.227 -0.077 1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.591 -0.822 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.498 0.078 4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.558 -1.286 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.442 -2.307 2.742 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.321 -2.290 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.589 -2.863 4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.000 -3.979 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.856 -3.723 6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.460 -4.464 6.973 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.642 3.894 2.865 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.778 4.981 3.840 1.00 0.00 C ATOM 1486 C PRO A 94 -12.923 4.742 4.818 1.00 0.00 C ATOM 1487 O PRO A 94 -14.095 4.840 4.454 1.00 0.00 O ATOM 1488 CB PRO A 94 -12.067 6.205 2.968 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.678 5.651 1.727 1.00 0.00 C ATOM 1490 CD PRO A 94 -12.027 4.313 1.508 1.00 0.00 C ATOM 0 HA PRO A 94 -10.889 5.084 4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.745 6.896 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.154 6.758 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.757 5.547 1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.506 6.313 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.714 3.603 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.161 4.390 0.851 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.576 4.427 6.062 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.576 4.172 7.092 1.00 0.00 C ATOM 1500 C TYR A 95 -13.554 5.266 8.155 1.00 0.00 C ATOM 1501 O TYR A 95 -12.511 5.858 8.432 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.331 2.809 7.743 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.408 2.866 8.939 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.861 3.326 10.169 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.083 2.460 8.839 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -12.021 3.380 11.265 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.237 2.510 9.929 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.710 2.971 11.140 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.870 3.023 12.228 1.00 0.00 O ATOM 0 H TYR A 95 -11.611 4.342 6.381 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.557 4.171 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.287 2.386 8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.909 2.132 7.001 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.887 3.647 10.270 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.708 2.099 7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.389 3.741 12.214 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.210 2.190 9.834 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.982 2.698 11.971 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.714 5.529 8.747 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.831 6.553 9.780 1.00 0.00 C ATOM 1521 C PHE A 96 -15.058 5.920 11.149 1.00 0.00 C ATOM 1522 O PHE A 96 -14.243 6.073 12.058 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.978 7.510 9.452 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.278 8.487 10.553 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.273 8.926 11.400 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.564 8.965 10.741 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.545 9.825 12.414 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.842 9.864 11.754 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.832 10.294 12.592 1.00 0.00 C ATOM 0 H PHE A 96 -15.587 5.048 8.530 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.897 7.113 9.808 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.732 8.062 8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.875 6.929 9.238 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.265 8.561 11.266 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.358 8.632 10.089 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.752 10.160 13.066 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.849 10.230 11.890 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.048 10.995 13.385 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.172 5.208 11.289 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.507 4.552 12.548 1.00 0.00 C ATOM 1541 C ASN A 97 -16.659 3.047 12.353 1.00 0.00 C ATOM 1542 O ASN A 97 -15.862 2.262 12.866 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.799 5.137 13.122 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.548 6.363 13.979 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.465 6.947 13.944 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.551 6.758 14.754 1.00 0.00 N ATOM 0 H ASN A 97 -16.858 5.071 10.546 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.692 4.728 13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.470 5.400 12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.305 4.378 13.718 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.441 7.576 15.353 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.431 6.243 14.751 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.688 2.653 11.609 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.944 1.241 11.347 1.00 0.00 C ATOM 1555 C GLU A 98 -18.087 0.983 9.850 1.00 0.00 C ATOM 1556 O GLU A 98 -17.655 -0.053 9.343 1.00 0.00 O ATOM 1557 CB GLU A 98 -19.209 0.785 12.078 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.461 1.530 11.648 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.726 0.929 12.230 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.694 0.497 13.402 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -22.748 0.891 11.514 1.00 0.00 O ATOM 0 H GLU A 98 -18.357 3.291 11.178 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.093 0.669 11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.354 -0.282 11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.067 0.918 13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.383 2.572 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.527 1.524 10.560 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.698 1.931 9.148 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.900 1.807 7.709 1.00 0.00 C ATOM 1570 C PHE A 99 -17.582 1.972 6.958 1.00 0.00 C ATOM 1571 O PHE A 99 -16.617 2.516 7.492 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.912 2.847 7.223 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.908 4.111 8.034 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.673 4.214 9.184 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -19.140 5.197 7.645 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.672 5.375 9.933 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -19.135 6.361 8.390 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.902 6.451 9.535 1.00 0.00 C ATOM 0 H PHE A 99 -19.062 2.794 9.552 1.00 0.00 H new ATOM 0 HA PHE A 99 -19.290 0.809 7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.698 3.092 6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.911 2.411 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -21.278 3.376 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.539 5.133 6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -21.272 5.441 10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.531 7.200 8.077 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.900 7.360 10.118 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.552 1.498 5.716 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.353 1.593 4.892 1.00 0.00 C ATOM 1590 C GLN A 100 -16.679 2.175 3.521 1.00 0.00 C ATOM 1591 O GLN A 100 -17.548 1.671 2.812 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.708 0.215 4.733 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.681 -0.864 4.286 1.00 0.00 C ATOM 1594 CD GLN A 100 -17.766 -1.133 5.310 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -17.481 -1.461 6.462 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -19.019 -0.996 4.894 1.00 0.00 N ATOM 0 H GLN A 100 -18.343 1.045 5.259 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.651 2.260 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.897 0.284 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.262 -0.080 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.142 -0.565 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.132 -1.786 4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.209 -0.722 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.792 -1.164 5.538 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.975 3.243 3.155 1.00 0.00 N ATOM 1606 CA GLY A 101 -16.205 3.877 1.870 1.00 0.00 C ATOM 1607 C GLY A 101 -15.894 2.958 0.705 1.00 0.00 C ATOM 1608 O GLY A 101 -15.389 1.852 0.897 1.00 0.00 O ATOM 0 H GLY A 101 -15.251 3.680 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.245 4.198 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.590 4.774 1.796 1.00 0.00 H new ATOM 1612 N MET A 102 -16.196 3.416 -0.505 1.00 0.00 N ATOM 1613 CA MET A 102 -15.945 2.626 -1.705 1.00 0.00 C ATOM 1614 C MET A 102 -14.531 2.053 -1.693 1.00 0.00 C ATOM 1615 O MET A 102 -13.551 2.792 -1.793 1.00 0.00 O ATOM 1616 CB MET A 102 -16.151 3.481 -2.957 1.00 0.00 C ATOM 1617 CG MET A 102 -15.368 4.784 -2.938 1.00 0.00 C ATOM 1618 SD MET A 102 -15.682 5.804 -4.391 1.00 0.00 S ATOM 1619 CE MET A 102 -15.216 4.678 -5.703 1.00 0.00 C ATOM 0 H MET A 102 -16.615 4.329 -0.681 1.00 0.00 H new ATOM 0 HA MET A 102 -16.653 1.798 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.858 2.903 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 102 -17.212 3.706 -3.063 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.628 5.346 -2.041 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.302 4.562 -2.878 1.00 0.00 H new ATOM 0 HE1 MET A 102 -14.994 5.245 -6.607 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.333 4.114 -5.402 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.037 3.989 -5.899 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.433 0.734 -1.571 1.00 0.00 N ATOM 1630 CA ASP A 103 -13.139 0.063 -1.546 1.00 0.00 C ATOM 1631 C ASP A 103 -12.401 0.258 -2.867 1.00 0.00 C ATOM 1632 O ASP A 103 -12.928 -0.051 -3.936 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.320 -1.430 -1.265 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.371 -1.695 -0.205 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.571 -1.507 -0.499 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.995 -2.092 0.917 1.00 0.00 O ATOM 0 H ASP A 103 -15.234 0.108 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.543 0.506 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.601 -1.939 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.369 -1.854 -0.944 1.00 0.00 H new ATOM 1641 N SER A 104 -11.178 0.773 -2.786 1.00 0.00 N ATOM 1642 CA SER A 104 -10.369 1.014 -3.975 1.00 0.00 C ATOM 1643 C SER A 104 -10.057 -0.295 -4.694 1.00 0.00 C ATOM 1644 O SER A 104 -10.332 -1.379 -4.180 1.00 0.00 O ATOM 1645 CB SER A 104 -9.068 1.724 -3.597 1.00 0.00 C ATOM 1646 OG SER A 104 -8.358 0.997 -2.609 1.00 0.00 O ATOM 0 H SER A 104 -10.726 1.031 -1.909 1.00 0.00 H new ATOM 0 HA SER A 104 -10.940 1.652 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.445 1.843 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.291 2.725 -3.227 1.00 0.00 H new ATOM 0 HG SER A 104 -8.737 1.190 -1.726 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.481 -0.185 -5.887 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.132 -1.359 -6.678 1.00 0.00 C ATOM 1654 C GLU A 105 -8.207 -2.287 -5.895 1.00 0.00 C ATOM 1655 O GLU A 105 -7.189 -1.854 -5.355 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.463 -0.939 -7.988 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.271 0.068 -8.788 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.229 -0.593 -9.761 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -11.359 -0.926 -9.348 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.847 -0.777 -10.936 1.00 0.00 O ATOM 0 H GLU A 105 -9.246 0.705 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.051 -1.899 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.484 -0.513 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.294 -1.825 -8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.834 0.702 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.591 0.718 -9.338 1.00 0.00 H new ATOM 1667 N SER A 106 -8.568 -3.564 -5.839 1.00 0.00 N ATOM 1668 CA SER A 106 -7.773 -4.553 -5.120 1.00 0.00 C ATOM 1669 C SER A 106 -6.578 -5.002 -5.956 1.00 0.00 C ATOM 1670 O SER A 106 -6.739 -5.574 -7.034 1.00 0.00 O ATOM 1671 CB SER A 106 -8.635 -5.762 -4.752 1.00 0.00 C ATOM 1672 OG SER A 106 -9.039 -6.472 -5.910 1.00 0.00 O ATOM 0 H SER A 106 -9.406 -3.939 -6.283 1.00 0.00 H new ATOM 0 HA SER A 106 -7.401 -4.089 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.075 -6.425 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.514 -5.431 -4.199 1.00 0.00 H new ATOM 0 HG SER A 106 -8.344 -6.400 -6.597 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.378 -4.737 -5.450 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.154 -5.114 -6.147 1.00 0.00 C ATOM 1680 C LYS A 107 -3.542 -6.369 -5.533 1.00 0.00 C ATOM 1681 O LYS A 107 -3.649 -6.599 -4.328 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.143 -3.966 -6.100 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.584 -2.735 -6.873 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.157 -2.808 -8.330 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.417 -1.496 -9.054 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.431 -1.672 -10.533 1.00 0.00 N ATOM 0 H LYS A 107 -5.227 -4.263 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.407 -5.326 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.969 -3.689 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.191 -4.315 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.668 -2.637 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.158 -1.843 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.096 -3.052 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.697 -3.613 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.372 -1.085 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.649 -0.772 -8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.611 -0.755 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.511 -2.041 -10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.181 -2.343 -10.796 1.00 0.00 H new ATOM 1700 N THR A 108 -2.900 -7.179 -6.369 1.00 0.00 N ATOM 1701 CA THR A 108 -2.271 -8.410 -5.909 1.00 0.00 C ATOM 1702 C THR A 108 -0.754 -8.269 -5.863 1.00 0.00 C ATOM 1703 O THR A 108 -0.135 -7.800 -6.819 1.00 0.00 O ATOM 1704 CB THR A 108 -2.638 -9.601 -6.815 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.640 -9.190 -8.187 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.003 -10.162 -6.445 1.00 0.00 C ATOM 0 H THR A 108 -2.802 -7.004 -7.369 1.00 0.00 H new ATOM 0 HA THR A 108 -2.646 -8.599 -4.903 1.00 0.00 H new ATOM 0 HB THR A 108 -1.892 -10.382 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.872 -9.953 -8.757 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.240 -11.002 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.989 -10.501 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.759 -9.386 -6.562 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.159 -8.679 -4.748 1.00 0.00 N ATOM 1715 CA VAL A 109 1.287 -8.600 -4.578 1.00 0.00 C ATOM 1716 C VAL A 109 1.912 -9.990 -4.534 1.00 0.00 C ATOM 1717 O VAL A 109 1.572 -10.807 -3.678 1.00 0.00 O ATOM 1718 CB VAL A 109 1.661 -7.840 -3.292 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.081 -8.537 -2.071 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.171 -7.706 -3.173 1.00 0.00 C ATOM 0 H VAL A 109 -0.656 -9.070 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 109 1.677 -8.056 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 109 1.233 -6.839 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.356 -7.985 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.005 -8.575 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.476 -9.551 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.417 -7.166 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.623 -8.697 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.557 -7.158 -4.033 1.00 0.00 H new ATOM 1730 N ARG A 110 2.827 -10.251 -5.461 1.00 0.00 N ATOM 1731 CA ARG A 110 3.500 -11.543 -5.528 1.00 0.00 C ATOM 1732 C ARG A 110 4.824 -11.507 -4.771 1.00 0.00 C ATOM 1733 O ARG A 110 5.809 -10.943 -5.247 1.00 0.00 O ATOM 1734 CB ARG A 110 3.744 -11.940 -6.985 1.00 0.00 C ATOM 1735 CG ARG A 110 3.864 -13.441 -7.195 1.00 0.00 C ATOM 1736 CD ARG A 110 3.819 -13.802 -8.672 1.00 0.00 C ATOM 1737 NE ARG A 110 4.244 -15.178 -8.912 1.00 0.00 N ATOM 1738 CZ ARG A 110 4.103 -15.798 -10.078 1.00 0.00 C ATOM 1739 NH1 ARG A 110 3.551 -15.167 -11.106 1.00 0.00 N ATOM 1740 NH2 ARG A 110 4.515 -17.051 -10.219 1.00 0.00 N ATOM 0 H ARG A 110 3.120 -9.585 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 110 2.854 -12.285 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.927 -11.560 -7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.657 -11.458 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.798 -13.797 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.055 -13.949 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.805 -13.665 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.461 -13.121 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 110 4.673 -15.691 -8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.234 -14.203 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.444 -15.646 -12.000 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.941 -17.540 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.406 -17.526 -11.115 1.00 0.00 H new ATOM 1754 N THR A 111 4.840 -12.112 -3.587 1.00 0.00 N ATOM 1755 CA THR A 111 6.042 -12.147 -2.763 1.00 0.00 C ATOM 1756 C THR A 111 7.060 -13.136 -3.318 1.00 0.00 C ATOM 1757 O THR A 111 6.891 -14.350 -3.200 1.00 0.00 O ATOM 1758 CB THR A 111 5.714 -12.528 -1.307 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.118 -13.830 -1.264 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.770 -11.513 -0.681 1.00 0.00 C ATOM 0 H THR A 111 4.034 -12.584 -3.177 1.00 0.00 H new ATOM 0 HA THR A 111 6.467 -11.143 -2.781 1.00 0.00 H new ATOM 0 HB THR A 111 6.644 -12.535 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.014 -14.111 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.553 -11.804 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.237 -10.528 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.842 -11.479 -1.252 1.00 0.00 H new ATOM 1768 N THR A 112 8.120 -12.610 -3.924 1.00 0.00 N ATOM 1769 CA THR A 112 9.166 -13.447 -4.498 1.00 0.00 C ATOM 1770 C THR A 112 9.545 -14.580 -3.551 1.00 0.00 C ATOM 1771 O THR A 112 9.175 -14.570 -2.377 1.00 0.00 O ATOM 1772 CB THR A 112 10.426 -12.625 -4.826 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.532 -13.500 -5.075 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.769 -11.679 -3.685 1.00 0.00 C ATOM 0 H THR A 112 8.277 -11.608 -4.030 1.00 0.00 H new ATOM 0 HA THR A 112 8.764 -13.867 -5.420 1.00 0.00 H new ATOM 0 HB THR A 112 10.223 -12.033 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.329 -12.969 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.663 -11.110 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.938 -10.994 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.953 -12.255 -2.778 1.00 0.00 H new ATOM 1782 N GLU A 113 10.286 -15.555 -4.069 1.00 0.00 N ATOM 1783 CA GLU A 113 10.714 -16.696 -3.268 1.00 0.00 C ATOM 1784 C GLU A 113 12.103 -16.458 -2.682 1.00 0.00 C ATOM 1785 O GLU A 113 12.368 -16.798 -1.529 1.00 0.00 O ATOM 1786 CB GLU A 113 10.717 -17.970 -4.115 1.00 0.00 C ATOM 1787 CG GLU A 113 9.336 -18.570 -4.316 1.00 0.00 C ATOM 1788 CD GLU A 113 9.380 -19.914 -5.016 1.00 0.00 C ATOM 1789 OE1 GLU A 113 9.825 -20.897 -4.386 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.971 -19.985 -6.194 1.00 0.00 O ATOM 0 H GLU A 113 10.602 -15.578 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 113 10.007 -16.817 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.153 -17.748 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.360 -18.711 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.849 -18.685 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.726 -17.881 -4.899 1.00 0.00 H new ATOM 1797 N GLU A 114 12.985 -15.872 -3.485 1.00 0.00 N ATOM 1798 CA GLU A 114 14.347 -15.591 -3.047 1.00 0.00 C ATOM 1799 C GLU A 114 15.015 -16.850 -2.503 1.00 0.00 C ATOM 1800 O GLU A 114 15.581 -16.843 -1.410 1.00 0.00 O ATOM 1801 CB GLU A 114 14.346 -14.498 -1.976 1.00 0.00 C ATOM 1802 CG GLU A 114 13.451 -13.317 -2.312 1.00 0.00 C ATOM 1803 CD GLU A 114 14.168 -12.251 -3.118 1.00 0.00 C ATOM 1804 OE1 GLU A 114 15.182 -12.582 -3.767 1.00 0.00 O ATOM 1805 OE2 GLU A 114 13.715 -11.088 -3.099 1.00 0.00 O ATOM 0 H GLU A 114 12.781 -15.583 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 114 14.915 -15.244 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.023 -14.930 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.366 -14.141 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.585 -13.670 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.075 -12.877 -1.388 1.00 0.00 H new ATOM 1812 N SER A 115 14.945 -17.930 -3.275 1.00 0.00 N ATOM 1813 CA SER A 115 15.539 -19.199 -2.870 1.00 0.00 C ATOM 1814 C SER A 115 16.168 -19.910 -4.064 1.00 0.00 C ATOM 1815 O SER A 115 15.607 -19.924 -5.158 1.00 0.00 O ATOM 1816 CB SER A 115 14.482 -20.098 -2.224 1.00 0.00 C ATOM 1817 OG SER A 115 15.077 -21.236 -1.626 1.00 0.00 O ATOM 0 H SER A 115 14.483 -17.952 -4.184 1.00 0.00 H new ATOM 0 HA SER A 115 16.322 -18.990 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.931 -19.534 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.760 -20.414 -2.977 1.00 0.00 H new ATOM 0 HG SER A 115 14.381 -21.793 -1.219 1.00 0.00 H new ATOM 1823 N GLY A 116 17.338 -20.501 -3.844 1.00 0.00 N ATOM 1824 CA GLY A 116 18.025 -21.207 -4.910 1.00 0.00 C ATOM 1825 C GLY A 116 19.083 -20.354 -5.582 1.00 0.00 C ATOM 1826 O GLY A 116 18.974 -19.129 -5.647 1.00 0.00 O ATOM 0 H GLY A 116 17.823 -20.504 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.490 -22.106 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 116 17.298 -21.532 -5.654 1.00 0.00 H new ATOM 1830 N PRO A 117 20.136 -21.006 -6.096 1.00 0.00 N ATOM 1831 CA PRO A 117 21.238 -20.318 -6.776 1.00 0.00 C ATOM 1832 C PRO A 117 20.817 -19.736 -8.121 1.00 0.00 C ATOM 1833 O PRO A 117 21.456 -18.820 -8.638 1.00 0.00 O ATOM 1834 CB PRO A 117 22.278 -21.424 -6.973 1.00 0.00 C ATOM 1835 CG PRO A 117 21.489 -22.688 -6.989 1.00 0.00 C ATOM 1836 CD PRO A 117 20.331 -22.465 -6.055 1.00 0.00 C ATOM 0 HA PRO A 117 21.604 -19.467 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 117 22.828 -21.289 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 117 23.012 -21.426 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 117 21.140 -22.917 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 117 22.097 -23.532 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 117 19.440 -22.999 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 117 20.555 -22.812 -5.046 1.00 0.00 H new ATOM 1844 N SER A 118 19.739 -20.274 -8.682 1.00 0.00 N ATOM 1845 CA SER A 118 19.235 -19.809 -9.969 1.00 0.00 C ATOM 1846 C SER A 118 18.577 -18.440 -9.833 1.00 0.00 C ATOM 1847 O SER A 118 17.680 -18.248 -9.011 1.00 0.00 O ATOM 1848 CB SER A 118 18.233 -20.814 -10.540 1.00 0.00 C ATOM 1849 OG SER A 118 17.167 -21.043 -9.635 1.00 0.00 O ATOM 0 H SER A 118 19.198 -21.032 -8.266 1.00 0.00 H new ATOM 0 HA SER A 118 20.080 -19.720 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 118 17.838 -20.441 -11.485 1.00 0.00 H new ATOM 0 HB3 SER A 118 18.740 -21.755 -10.755 1.00 0.00 H new ATOM 0 HG SER A 118 17.002 -20.231 -9.112 1.00 0.00 H new ATOM 1855 N SER A 119 19.031 -17.489 -10.644 1.00 0.00 N ATOM 1856 CA SER A 119 18.490 -16.135 -10.612 1.00 0.00 C ATOM 1857 C SER A 119 18.697 -15.436 -11.952 1.00 0.00 C ATOM 1858 O SER A 119 19.799 -15.432 -12.499 1.00 0.00 O ATOM 1859 CB SER A 119 19.150 -15.326 -9.494 1.00 0.00 C ATOM 1860 OG SER A 119 20.536 -15.159 -9.736 1.00 0.00 O ATOM 0 H SER A 119 19.772 -17.631 -11.331 1.00 0.00 H new ATOM 0 HA SER A 119 17.419 -16.202 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.671 -14.350 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.002 -15.831 -8.539 1.00 0.00 H new ATOM 0 HG SER A 119 20.716 -15.263 -10.694 1.00 0.00 H new ATOM 1866 N GLY A 120 17.628 -14.845 -12.476 1.00 0.00 N ATOM 1867 CA GLY A 120 17.712 -14.151 -13.748 1.00 0.00 C ATOM 1868 C GLY A 120 18.287 -12.755 -13.609 1.00 0.00 C ATOM 1869 O GLY A 120 17.886 -11.996 -12.728 1.00 0.00 O ATOM 0 H GLY A 120 16.705 -14.834 -12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 120 18.331 -14.729 -14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.718 -14.089 -14.191 1.00 0.00 H new TER 1873 GLY A 120