USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 HIS : no HE2:sc= -12.9! C(o=-15!,f=-20!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 158:sc= 0.153 (180deg=-0.969) USER MOD Set 1.3: A 30 HIS : no HE2:sc= -2.71 K(o=-15,f=-17) USER MOD Set 2.1: A 22 SER OG : rot -37:sc= 0.141 USER MOD Set 2.2: A 44 CYS SG : rot 118:sc= -3.17 USER MOD Set 3.1: A 15 TYR OH : rot -157:sc= -0.807 USER MOD Set 3.2: A 45 SER OG : rot 49:sc= 2 USER MOD Set 3.3: A 49 LYS NZ :NH3+ 172:sc= -0.276 (180deg=-0.357) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0137 (180deg=-0.181) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.481 (180deg=-0.498) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -141:sc= -1.29 USER MOD Single : A 20 GLN : amide:sc= -0.93 K(o=-0.93,f=-2.8) USER MOD Single : A 21 THR OG1 : rot 106:sc= 1.31 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= -0.221 (180deg=-1.25!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.711 K(o=-0.71,f=0.03) USER MOD Single : A 38 SER OG : rot 83:sc= 0.00581 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= -0.253 (180deg=-0.746) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.867 (180deg=-1.47) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -165:sc= -0.404 (180deg=-1.32) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= -1.18! (180deg=-2.31!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 170:sc= -0.0122 (180deg=-0.298) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.0709 (180deg=-0.582) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -16:sc= 0.493! USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00896 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.751 -16.766 13.247 1.00 0.00 N ATOM 2 CA GLY A 1 -11.878 -16.408 12.093 1.00 0.00 C ATOM 3 C GLY A 1 -10.960 -17.586 11.751 1.00 0.00 C ATOM 4 O GLY A 1 -10.815 -17.942 10.598 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.429 -15.997 13.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.269 -17.642 13.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.165 -16.909 14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.490 -16.149 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.281 -15.529 12.336 1.00 0.00 H new ATOM 10 N LYS A 2 -10.358 -18.159 12.765 1.00 0.00 N ATOM 11 CA LYS A 2 -9.444 -19.314 12.530 1.00 0.00 C ATOM 12 C LYS A 2 -10.236 -20.610 12.372 1.00 0.00 C ATOM 13 O LYS A 2 -9.927 -21.611 12.988 1.00 0.00 O ATOM 14 CB LYS A 2 -8.509 -19.443 13.749 1.00 0.00 C ATOM 15 CG LYS A 2 -8.001 -18.051 14.156 1.00 0.00 C ATOM 16 CD LYS A 2 -7.414 -17.334 12.930 1.00 0.00 C ATOM 17 CE LYS A 2 -6.585 -16.134 13.398 1.00 0.00 C ATOM 18 NZ LYS A 2 -6.203 -15.277 12.242 1.00 0.00 N ATOM 0 H LYS A 2 -10.461 -17.877 13.740 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.876 -19.143 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.040 -19.905 14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.668 -20.093 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.818 -17.464 14.576 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.242 -18.143 14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.791 -18.020 12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.215 -17.002 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.157 -15.549 14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.689 -16.482 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.642 -14.469 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.639 -15.834 11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.061 -14.929 11.769 1.00 0.00 H new ATOM 32 N GLY A 3 -11.242 -20.568 11.543 1.00 0.00 N ATOM 33 CA GLY A 3 -12.068 -21.787 11.326 1.00 0.00 C ATOM 34 C GLY A 3 -12.937 -21.610 10.083 1.00 0.00 C ATOM 35 O GLY A 3 -13.725 -22.475 9.746 1.00 0.00 O ATOM 0 H GLY A 3 -11.526 -19.747 11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.423 -22.658 11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.697 -21.971 12.197 1.00 0.00 H new ATOM 39 N ASP A 4 -12.763 -20.483 9.427 1.00 0.00 N ATOM 40 CA ASP A 4 -13.552 -20.190 8.193 1.00 0.00 C ATOM 41 C ASP A 4 -12.737 -19.293 7.246 1.00 0.00 C ATOM 42 O ASP A 4 -12.977 -18.105 7.164 1.00 0.00 O ATOM 43 CB ASP A 4 -14.824 -19.424 8.613 1.00 0.00 C ATOM 44 CG ASP A 4 -15.824 -20.403 9.237 1.00 0.00 C ATOM 45 OD1 ASP A 4 -15.640 -20.696 10.405 1.00 0.00 O ATOM 46 OD2 ASP A 4 -16.719 -20.801 8.507 1.00 0.00 O ATOM 0 H ASP A 4 -12.104 -19.753 9.698 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.799 -21.122 7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.571 -18.641 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.270 -18.934 7.747 1.00 0.00 H new ATOM 51 N PRO A 5 -11.771 -19.883 6.540 1.00 0.00 N ATOM 52 CA PRO A 5 -10.941 -19.114 5.616 1.00 0.00 C ATOM 53 C PRO A 5 -11.794 -18.404 4.561 1.00 0.00 C ATOM 54 O PRO A 5 -11.294 -17.614 3.786 1.00 0.00 O ATOM 55 CB PRO A 5 -9.984 -20.159 4.960 1.00 0.00 C ATOM 56 CG PRO A 5 -10.222 -21.523 5.698 1.00 0.00 C ATOM 57 CD PRO A 5 -11.459 -21.329 6.615 1.00 0.00 C ATOM 0 HA PRO A 5 -10.390 -18.326 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.191 -20.256 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.945 -19.844 5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.395 -22.325 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.347 -21.803 6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.301 -21.932 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.242 -21.633 7.639 1.00 0.00 H new ATOM 65 N LYS A 6 -13.063 -18.703 4.552 1.00 0.00 N ATOM 66 CA LYS A 6 -13.950 -18.052 3.559 1.00 0.00 C ATOM 67 C LYS A 6 -14.074 -16.563 3.883 1.00 0.00 C ATOM 68 O LYS A 6 -14.639 -15.797 3.125 1.00 0.00 O ATOM 69 CB LYS A 6 -15.346 -18.716 3.637 1.00 0.00 C ATOM 70 CG LYS A 6 -15.341 -20.007 2.806 1.00 0.00 C ATOM 71 CD LYS A 6 -14.288 -20.965 3.371 1.00 0.00 C ATOM 72 CE LYS A 6 -14.512 -22.362 2.787 1.00 0.00 C ATOM 73 NZ LYS A 6 -13.413 -23.280 3.199 1.00 0.00 N ATOM 0 H LYS A 6 -13.517 -19.363 5.183 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.537 -18.166 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.598 -18.938 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.108 -18.032 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.326 -20.474 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.122 -19.781 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.287 -20.611 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.355 -20.998 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.470 -22.756 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.558 -22.305 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.579 -24.224 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.504 -22.911 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.387 -23.347 4.237 1.00 0.00 H new ATOM 87 N LYS A 7 -13.534 -16.191 5.014 1.00 0.00 N ATOM 88 CA LYS A 7 -13.587 -14.775 5.437 1.00 0.00 C ATOM 89 C LYS A 7 -12.794 -13.893 4.437 1.00 0.00 C ATOM 90 O LYS A 7 -11.736 -14.298 3.997 1.00 0.00 O ATOM 91 CB LYS A 7 -12.893 -14.697 6.821 1.00 0.00 C ATOM 92 CG LYS A 7 -13.229 -13.375 7.507 1.00 0.00 C ATOM 93 CD LYS A 7 -12.604 -13.358 8.905 1.00 0.00 C ATOM 94 CE LYS A 7 -12.949 -12.032 9.597 1.00 0.00 C ATOM 95 NZ LYS A 7 -14.328 -12.086 10.160 1.00 0.00 N ATOM 0 H LYS A 7 -13.057 -16.818 5.662 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.618 -14.424 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.215 -15.531 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.814 -14.788 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.852 -12.540 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.310 -13.253 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.977 -14.197 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.523 -13.474 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.232 -11.832 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.872 -11.211 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.549 -11.182 10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.010 -12.256 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.389 -12.857 10.855 1.00 0.00 H new ATOM 109 N PRO A 8 -13.316 -12.695 4.074 1.00 0.00 N ATOM 110 CA PRO A 8 -12.601 -11.826 3.135 1.00 0.00 C ATOM 111 C PRO A 8 -11.130 -11.657 3.538 1.00 0.00 C ATOM 112 O PRO A 8 -10.777 -11.810 4.691 1.00 0.00 O ATOM 113 CB PRO A 8 -13.365 -10.465 3.183 1.00 0.00 C ATOM 114 CG PRO A 8 -14.689 -10.712 3.990 1.00 0.00 C ATOM 115 CD PRO A 8 -14.618 -12.161 4.546 1.00 0.00 C ATOM 0 HA PRO A 8 -12.581 -12.245 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.757 -9.698 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.587 -10.111 2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.786 -9.992 4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.561 -10.588 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.675 -12.168 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.448 -12.765 4.179 1.00 0.00 H new ATOM 123 N ARG A 9 -10.311 -11.355 2.568 1.00 0.00 N ATOM 124 CA ARG A 9 -8.865 -11.170 2.841 1.00 0.00 C ATOM 125 C ARG A 9 -8.614 -10.234 3.990 1.00 0.00 C ATOM 126 O ARG A 9 -8.274 -10.670 5.074 1.00 0.00 O ATOM 127 CB ARG A 9 -8.209 -10.594 1.575 1.00 0.00 C ATOM 128 CG ARG A 9 -6.688 -10.591 1.744 1.00 0.00 C ATOM 129 CD ARG A 9 -6.040 -10.027 0.472 1.00 0.00 C ATOM 130 NE ARG A 9 -4.625 -9.667 0.767 1.00 0.00 N ATOM 131 CZ ARG A 9 -3.868 -9.196 -0.189 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.377 -9.052 -1.383 1.00 0.00 N ATOM 133 NH2 ARG A 9 -2.630 -8.884 0.079 1.00 0.00 N ATOM 0 H ARG A 9 -10.587 -11.229 1.594 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.442 -12.138 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.488 -11.189 0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.568 -9.580 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.407 -9.988 2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.329 -11.603 1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.082 -10.764 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.588 -9.150 0.128 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.250 -9.787 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.350 -9.305 -1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.802 -8.686 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.266 -9.009 1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.026 -8.515 -0.656 1.00 0.00 H new ATOM 147 N GLY A 10 -8.797 -8.967 3.748 1.00 0.00 N ATOM 148 CA GLY A 10 -8.572 -7.969 4.821 1.00 0.00 C ATOM 149 C GLY A 10 -8.144 -6.647 4.198 1.00 0.00 C ATOM 150 O GLY A 10 -7.052 -6.532 3.680 1.00 0.00 O ATOM 0 H GLY A 10 -9.093 -8.582 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.484 -7.832 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.805 -8.325 5.509 1.00 0.00 H new ATOM 154 N LYS A 11 -9.019 -5.685 4.248 1.00 0.00 N ATOM 155 CA LYS A 11 -8.685 -4.356 3.661 1.00 0.00 C ATOM 156 C LYS A 11 -7.330 -3.845 4.177 1.00 0.00 C ATOM 157 O LYS A 11 -7.132 -3.663 5.360 1.00 0.00 O ATOM 158 CB LYS A 11 -9.817 -3.321 4.008 1.00 0.00 C ATOM 159 CG LYS A 11 -10.668 -3.790 5.205 1.00 0.00 C ATOM 160 CD LYS A 11 -9.802 -3.859 6.469 1.00 0.00 C ATOM 161 CE LYS A 11 -10.710 -3.989 7.692 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.353 -2.680 8.001 1.00 0.00 N ATOM 0 H LYS A 11 -9.946 -5.758 4.667 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.614 -4.469 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.369 -2.354 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.459 -3.178 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.500 -3.104 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.098 -4.769 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.123 -4.710 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.186 -2.964 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.475 -4.743 7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.129 -4.328 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.712 -2.691 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.654 -1.917 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.143 -2.517 7.344 1.00 0.00 H new ATOM 176 N MET A 12 -6.432 -3.630 3.256 1.00 0.00 N ATOM 177 CA MET A 12 -5.081 -3.135 3.623 1.00 0.00 C ATOM 178 C MET A 12 -5.068 -1.619 3.791 1.00 0.00 C ATOM 179 O MET A 12 -5.971 -0.933 3.350 1.00 0.00 O ATOM 180 CB MET A 12 -4.124 -3.499 2.461 1.00 0.00 C ATOM 181 CG MET A 12 -3.639 -4.950 2.600 1.00 0.00 C ATOM 182 SD MET A 12 -3.102 -5.786 1.085 1.00 0.00 S ATOM 183 CE MET A 12 -2.068 -4.448 0.418 1.00 0.00 C ATOM 0 H MET A 12 -6.580 -3.778 2.258 1.00 0.00 H new ATOM 0 HA MET A 12 -4.779 -3.588 4.567 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.635 -3.370 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.270 -2.822 2.460 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.809 -4.964 3.307 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.445 -5.536 3.043 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.523 -4.810 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.701 -3.609 0.128 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.360 -4.122 1.179 1.00 0.00 H new ATOM 193 N SER A 13 -4.028 -1.132 4.422 1.00 0.00 N ATOM 194 CA SER A 13 -3.907 0.332 4.639 1.00 0.00 C ATOM 195 C SER A 13 -3.320 0.978 3.390 1.00 0.00 C ATOM 196 O SER A 13 -2.964 0.294 2.452 1.00 0.00 O ATOM 197 CB SER A 13 -2.947 0.572 5.819 1.00 0.00 C ATOM 198 OG SER A 13 -3.749 0.357 6.973 1.00 0.00 O ATOM 0 H SER A 13 -3.260 -1.690 4.794 1.00 0.00 H new ATOM 0 HA SER A 13 -4.887 0.761 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.101 -0.114 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.539 1.583 5.801 1.00 0.00 H new ATOM 0 HG SER A 13 -3.206 0.490 7.778 1.00 0.00 H new ATOM 204 N SER A 14 -3.216 2.273 3.390 1.00 0.00 N ATOM 205 CA SER A 14 -2.653 2.945 2.202 1.00 0.00 C ATOM 206 C SER A 14 -1.182 2.621 2.061 1.00 0.00 C ATOM 207 O SER A 14 -0.653 2.581 0.967 1.00 0.00 O ATOM 208 CB SER A 14 -2.822 4.458 2.381 1.00 0.00 C ATOM 209 OG SER A 14 -2.632 4.982 1.085 1.00 0.00 O ATOM 0 H SER A 14 -3.495 2.887 4.155 1.00 0.00 H new ATOM 0 HA SER A 14 -3.172 2.602 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.810 4.705 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.093 4.860 3.084 1.00 0.00 H new ATOM 0 HG SER A 14 -2.125 5.819 1.142 1.00 0.00 H new ATOM 215 N TYR A 15 -0.541 2.391 3.171 1.00 0.00 N ATOM 216 CA TYR A 15 0.896 2.065 3.119 1.00 0.00 C ATOM 217 C TYR A 15 1.065 0.649 2.623 1.00 0.00 C ATOM 218 O TYR A 15 1.809 0.390 1.709 1.00 0.00 O ATOM 219 CB TYR A 15 1.487 2.174 4.553 1.00 0.00 C ATOM 220 CG TYR A 15 2.868 1.481 4.607 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.786 1.642 3.581 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.191 0.653 5.662 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.989 0.990 3.614 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.403 0.000 5.688 1.00 0.00 C ATOM 225 CZ TYR A 15 5.308 0.165 4.662 1.00 0.00 C ATOM 226 OH TYR A 15 6.496 -0.511 4.668 1.00 0.00 O ATOM 0 H TYR A 15 -0.953 2.416 4.104 1.00 0.00 H new ATOM 0 HA TYR A 15 1.410 2.754 2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.585 3.222 4.837 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.810 1.711 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.550 2.288 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.490 0.516 6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.694 1.127 2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.646 -0.646 6.519 1.00 0.00 H new ATOM 0 HH TYR A 15 6.424 -1.294 5.253 1.00 0.00 H new ATOM 236 N ALA A 16 0.377 -0.251 3.260 1.00 0.00 N ATOM 237 CA ALA A 16 0.478 -1.657 2.843 1.00 0.00 C ATOM 238 C ALA A 16 0.170 -1.795 1.359 1.00 0.00 C ATOM 239 O ALA A 16 0.668 -2.689 0.703 1.00 0.00 O ATOM 240 CB ALA A 16 -0.533 -2.482 3.647 1.00 0.00 C ATOM 0 H ALA A 16 -0.246 -0.068 4.047 1.00 0.00 H new ATOM 0 HA ALA A 16 1.492 -2.014 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.469 -3.528 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.310 -2.395 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.540 -2.111 3.456 1.00 0.00 H new ATOM 246 N PHE A 17 -0.640 -0.896 0.841 1.00 0.00 N ATOM 247 CA PHE A 17 -0.970 -0.984 -0.602 1.00 0.00 C ATOM 248 C PHE A 17 0.247 -0.595 -1.402 1.00 0.00 C ATOM 249 O PHE A 17 0.470 -1.087 -2.486 1.00 0.00 O ATOM 250 CB PHE A 17 -2.166 -0.013 -0.908 1.00 0.00 C ATOM 251 CG PHE A 17 -3.412 -0.814 -1.326 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.572 -1.228 -2.637 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.401 -1.117 -0.402 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.698 -1.930 -3.017 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.526 -1.817 -0.785 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.674 -2.223 -2.090 1.00 0.00 C ATOM 0 H PHE A 17 -1.073 -0.125 1.350 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.261 -1.999 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.390 0.587 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.887 0.679 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.810 -1.000 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.289 -0.802 0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.814 -2.250 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.292 -2.046 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.555 -2.772 -2.388 1.00 0.00 H new ATOM 266 N PHE A 18 1.017 0.282 -0.841 1.00 0.00 N ATOM 267 CA PHE A 18 2.242 0.735 -1.537 1.00 0.00 C ATOM 268 C PHE A 18 3.330 -0.311 -1.355 1.00 0.00 C ATOM 269 O PHE A 18 4.300 -0.328 -2.088 1.00 0.00 O ATOM 270 CB PHE A 18 2.679 2.101 -0.947 1.00 0.00 C ATOM 271 CG PHE A 18 4.174 2.358 -1.184 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.121 1.838 -0.321 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.591 3.141 -2.245 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.461 2.100 -0.516 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.932 3.401 -2.437 1.00 0.00 C ATOM 276 CZ PHE A 18 6.863 2.882 -1.572 1.00 0.00 C ATOM 0 H PHE A 18 0.851 0.706 0.072 1.00 0.00 H new ATOM 0 HA PHE A 18 2.055 0.860 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.094 2.900 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.469 2.122 0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.810 1.223 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.862 3.552 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.195 1.690 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.250 4.013 -3.268 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.912 3.088 -1.722 1.00 0.00 H new ATOM 286 N VAL A 19 3.155 -1.174 -0.353 1.00 0.00 N ATOM 287 CA VAL A 19 4.170 -2.221 -0.120 1.00 0.00 C ATOM 288 C VAL A 19 3.934 -3.333 -1.065 1.00 0.00 C ATOM 289 O VAL A 19 4.840 -3.801 -1.666 1.00 0.00 O ATOM 290 CB VAL A 19 4.079 -2.776 1.324 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.023 -3.992 1.462 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.539 -1.705 2.288 1.00 0.00 C ATOM 0 H VAL A 19 2.361 -1.179 0.288 1.00 0.00 H new ATOM 0 HA VAL A 19 5.157 -1.783 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 19 3.052 -3.071 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.963 -4.386 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.726 -4.765 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.047 -3.683 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.479 -2.084 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.569 -1.431 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.900 -0.828 2.189 1.00 0.00 H new ATOM 302 N GLN A 20 2.704 -3.754 -1.173 1.00 0.00 N ATOM 303 CA GLN A 20 2.422 -4.855 -2.100 1.00 0.00 C ATOM 304 C GLN A 20 2.840 -4.416 -3.484 1.00 0.00 C ATOM 305 O GLN A 20 3.176 -5.217 -4.334 1.00 0.00 O ATOM 306 CB GLN A 20 0.899 -5.210 -2.025 1.00 0.00 C ATOM 307 CG GLN A 20 0.060 -4.425 -3.079 1.00 0.00 C ATOM 308 CD GLN A 20 0.006 -5.191 -4.419 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.696 -6.169 -4.630 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.809 -4.773 -5.349 1.00 0.00 N ATOM 0 H GLN A 20 1.902 -3.383 -0.663 1.00 0.00 H new ATOM 0 HA GLN A 20 2.979 -5.755 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.769 -6.281 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.524 -4.988 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.951 -4.270 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.496 -3.439 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.393 -3.953 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.861 -5.266 -6.240 1.00 0.00 H new ATOM 319 N THR A 21 2.833 -3.121 -3.663 1.00 0.00 N ATOM 320 CA THR A 21 3.225 -2.560 -4.965 1.00 0.00 C ATOM 321 C THR A 21 4.721 -2.562 -5.046 1.00 0.00 C ATOM 322 O THR A 21 5.292 -2.708 -6.110 1.00 0.00 O ATOM 323 CB THR A 21 2.702 -1.124 -5.061 1.00 0.00 C ATOM 324 OG1 THR A 21 1.296 -1.235 -5.025 1.00 0.00 O ATOM 325 CG2 THR A 21 2.996 -0.530 -6.433 1.00 0.00 C ATOM 0 H THR A 21 2.570 -2.436 -2.955 1.00 0.00 H new ATOM 0 HA THR A 21 2.810 -3.150 -5.782 1.00 0.00 H new ATOM 0 HB THR A 21 3.150 -0.517 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.968 -0.948 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.615 0.490 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.073 -0.523 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.511 -1.132 -7.202 1.00 0.00 H new ATOM 333 N SER A 22 5.345 -2.403 -3.899 1.00 0.00 N ATOM 334 CA SER A 22 6.824 -2.396 -3.864 1.00 0.00 C ATOM 335 C SER A 22 7.313 -3.827 -3.819 1.00 0.00 C ATOM 336 O SER A 22 8.445 -4.109 -4.117 1.00 0.00 O ATOM 337 CB SER A 22 7.284 -1.677 -2.583 1.00 0.00 C ATOM 338 OG SER A 22 8.686 -1.527 -2.757 1.00 0.00 O ATOM 0 H SER A 22 4.886 -2.279 -2.996 1.00 0.00 H new ATOM 0 HA SER A 22 7.220 -1.889 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.791 -0.712 -2.468 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.053 -2.261 -1.692 1.00 0.00 H new ATOM 0 HG SER A 22 9.048 -2.323 -3.199 1.00 0.00 H new ATOM 344 N ARG A 23 6.407 -4.702 -3.454 1.00 0.00 N ATOM 345 CA ARG A 23 6.725 -6.149 -3.358 1.00 0.00 C ATOM 346 C ARG A 23 6.829 -6.770 -4.730 1.00 0.00 C ATOM 347 O ARG A 23 7.818 -7.388 -5.065 1.00 0.00 O ATOM 348 CB ARG A 23 5.579 -6.818 -2.580 1.00 0.00 C ATOM 349 CG ARG A 23 5.994 -8.224 -2.117 1.00 0.00 C ATOM 350 CD ARG A 23 5.092 -8.654 -0.942 1.00 0.00 C ATOM 351 NE ARG A 23 5.142 -10.140 -0.811 1.00 0.00 N ATOM 352 CZ ARG A 23 4.556 -10.888 -1.711 1.00 0.00 C ATOM 353 NH1 ARG A 23 3.940 -10.309 -2.705 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.609 -12.185 -1.584 1.00 0.00 N ATOM 0 H ARG A 23 5.445 -4.463 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 23 7.682 -6.287 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.312 -6.208 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.692 -6.883 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.903 -8.933 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.040 -8.225 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.427 -8.183 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.067 -8.325 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 23 5.630 -10.570 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.921 -9.291 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.477 -10.874 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.101 -12.600 -0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.158 -12.784 -2.276 1.00 0.00 H new ATOM 368 N GLU A 24 5.801 -6.605 -5.493 1.00 0.00 N ATOM 369 CA GLU A 24 5.805 -7.173 -6.857 1.00 0.00 C ATOM 370 C GLU A 24 7.012 -6.658 -7.624 1.00 0.00 C ATOM 371 O GLU A 24 7.522 -7.316 -8.510 1.00 0.00 O ATOM 372 CB GLU A 24 4.522 -6.709 -7.570 1.00 0.00 C ATOM 373 CG GLU A 24 4.467 -7.323 -8.969 1.00 0.00 C ATOM 374 CD GLU A 24 3.128 -6.970 -9.624 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.616 -5.919 -9.277 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.695 -7.773 -10.436 1.00 0.00 O ATOM 0 H GLU A 24 4.954 -6.100 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 24 5.850 -8.261 -6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.645 -7.008 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.504 -5.621 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.292 -6.949 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.581 -8.405 -8.909 1.00 0.00 H new ATOM 383 N GLU A 25 7.449 -5.480 -7.246 1.00 0.00 N ATOM 384 CA GLU A 25 8.616 -4.860 -7.908 1.00 0.00 C ATOM 385 C GLU A 25 9.931 -5.357 -7.289 1.00 0.00 C ATOM 386 O GLU A 25 10.966 -5.336 -7.926 1.00 0.00 O ATOM 387 CB GLU A 25 8.506 -3.329 -7.704 1.00 0.00 C ATOM 388 CG GLU A 25 7.540 -2.742 -8.738 1.00 0.00 C ATOM 389 CD GLU A 25 7.540 -1.218 -8.611 1.00 0.00 C ATOM 390 OE1 GLU A 25 6.778 -0.743 -7.785 1.00 0.00 O ATOM 391 OE2 GLU A 25 8.307 -0.613 -9.343 1.00 0.00 O ATOM 0 H GLU A 25 7.035 -4.924 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 25 8.621 -5.124 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.153 -3.110 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.488 -2.867 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.841 -3.036 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.535 -3.133 -8.579 1.00 0.00 H new ATOM 398 N HIS A 26 9.852 -5.791 -6.055 1.00 0.00 N ATOM 399 CA HIS A 26 11.077 -6.299 -5.349 1.00 0.00 C ATOM 400 C HIS A 26 11.339 -7.763 -5.711 1.00 0.00 C ATOM 401 O HIS A 26 12.455 -8.209 -5.723 1.00 0.00 O ATOM 402 CB HIS A 26 10.818 -6.143 -3.812 1.00 0.00 C ATOM 403 CG HIS A 26 11.390 -7.306 -2.980 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.203 -7.171 -2.046 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.067 -8.646 -2.995 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.429 -8.266 -1.462 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.748 -9.279 -1.999 1.00 0.00 N ATOM 0 H HIS A 26 8.994 -5.817 -5.504 1.00 0.00 H new ATOM 0 HA HIS A 26 11.959 -5.734 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.260 -5.207 -3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.745 -6.072 -3.636 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.633 -6.284 -1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.384 -9.118 -3.685 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.099 -8.371 -0.621 1.00 0.00 H new ATOM 415 N LYS A 27 10.310 -8.475 -6.006 1.00 0.00 N ATOM 416 CA LYS A 27 10.504 -9.897 -6.361 1.00 0.00 C ATOM 417 C LYS A 27 11.458 -10.046 -7.553 1.00 0.00 C ATOM 418 O LYS A 27 12.121 -11.055 -7.703 1.00 0.00 O ATOM 419 CB LYS A 27 9.133 -10.478 -6.747 1.00 0.00 C ATOM 420 CG LYS A 27 9.300 -11.940 -7.159 1.00 0.00 C ATOM 421 CD LYS A 27 7.925 -12.578 -7.349 1.00 0.00 C ATOM 422 CE LYS A 27 8.105 -14.018 -7.850 1.00 0.00 C ATOM 423 NZ LYS A 27 6.843 -14.522 -8.447 1.00 0.00 N ATOM 0 H LYS A 27 9.346 -8.143 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 27 10.937 -10.423 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.444 -10.402 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.700 -9.905 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.873 -12.005 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.861 -12.481 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.375 -12.573 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.338 -12.001 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.904 -14.055 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.406 -14.662 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.982 -15.497 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.089 -14.505 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.572 -13.917 -9.248 1.00 0.00 H new ATOM 437 N LYS A 28 11.527 -9.024 -8.359 1.00 0.00 N ATOM 438 CA LYS A 28 12.425 -9.074 -9.550 1.00 0.00 C ATOM 439 C LYS A 28 13.901 -8.861 -9.208 1.00 0.00 C ATOM 440 O LYS A 28 14.733 -8.849 -10.095 1.00 0.00 O ATOM 441 CB LYS A 28 11.986 -7.961 -10.508 1.00 0.00 C ATOM 442 CG LYS A 28 10.627 -8.327 -11.116 1.00 0.00 C ATOM 443 CD LYS A 28 10.308 -7.372 -12.268 1.00 0.00 C ATOM 444 CE LYS A 28 8.851 -7.577 -12.692 1.00 0.00 C ATOM 445 NZ LYS A 28 7.937 -7.389 -11.528 1.00 0.00 N ATOM 0 H LYS A 28 11.002 -8.157 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 28 12.340 -10.068 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.916 -7.013 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.727 -7.830 -11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.643 -9.356 -11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.849 -8.268 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.469 -6.340 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.975 -7.559 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.593 -6.872 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.723 -8.578 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.057 -6.935 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.716 -8.314 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.399 -6.787 -10.817 1.00 0.00 H new ATOM 459 N LYS A 29 14.214 -8.693 -7.950 1.00 0.00 N ATOM 460 CA LYS A 29 15.653 -8.484 -7.590 1.00 0.00 C ATOM 461 C LYS A 29 15.921 -8.699 -6.089 1.00 0.00 C ATOM 462 O LYS A 29 16.673 -7.966 -5.480 1.00 0.00 O ATOM 463 CB LYS A 29 16.058 -7.043 -7.988 1.00 0.00 C ATOM 464 CG LYS A 29 15.139 -6.028 -7.302 1.00 0.00 C ATOM 465 CD LYS A 29 15.357 -4.652 -7.940 1.00 0.00 C ATOM 466 CE LYS A 29 14.733 -3.576 -7.053 1.00 0.00 C ATOM 467 NZ LYS A 29 15.390 -3.552 -5.714 1.00 0.00 N ATOM 0 H LYS A 29 13.556 -8.691 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 29 16.247 -9.221 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.094 -6.857 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.998 -6.926 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.097 -6.331 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.353 -5.987 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.423 -4.462 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.909 -4.625 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.833 -2.601 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.666 -3.767 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.240 -2.624 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.979 -4.294 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.410 -3.722 -5.825 1.00 0.00 H new ATOM 481 N HIS A 30 15.303 -9.719 -5.532 1.00 0.00 N ATOM 482 CA HIS A 30 15.502 -10.015 -4.074 1.00 0.00 C ATOM 483 C HIS A 30 15.230 -11.517 -3.791 1.00 0.00 C ATOM 484 O HIS A 30 14.236 -11.871 -3.185 1.00 0.00 O ATOM 485 CB HIS A 30 14.498 -9.181 -3.240 1.00 0.00 C ATOM 486 CG HIS A 30 14.955 -7.716 -3.099 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.740 -7.302 -2.221 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.544 -6.584 -3.783 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.864 -6.039 -2.268 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.141 -5.493 -3.239 1.00 0.00 N ATOM 0 H HIS A 30 14.673 -10.355 -6.021 1.00 0.00 H new ATOM 0 HA HIS A 30 16.528 -9.766 -3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.517 -9.212 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.389 -9.625 -2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 30 16.221 -7.902 -1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.858 -6.571 -4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.488 -5.472 -1.593 1.00 0.00 H new ATOM 498 N PRO A 31 16.119 -12.378 -4.263 1.00 0.00 N ATOM 499 CA PRO A 31 15.962 -13.820 -4.056 1.00 0.00 C ATOM 500 C PRO A 31 16.370 -14.241 -2.635 1.00 0.00 C ATOM 501 O PRO A 31 15.820 -15.170 -2.078 1.00 0.00 O ATOM 502 CB PRO A 31 16.930 -14.466 -5.101 1.00 0.00 C ATOM 503 CG PRO A 31 17.852 -13.313 -5.639 1.00 0.00 C ATOM 504 CD PRO A 31 17.291 -11.982 -5.064 1.00 0.00 C ATOM 0 HA PRO A 31 14.924 -14.131 -4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.526 -15.254 -4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.369 -14.925 -5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.884 -13.465 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.851 -13.294 -6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.034 -11.472 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.010 -11.294 -5.862 1.00 0.00 H new ATOM 512 N ASP A 32 17.321 -13.536 -2.090 1.00 0.00 N ATOM 513 CA ASP A 32 17.808 -13.855 -0.706 1.00 0.00 C ATOM 514 C ASP A 32 16.977 -13.175 0.391 1.00 0.00 C ATOM 515 O ASP A 32 17.162 -13.449 1.560 1.00 0.00 O ATOM 516 CB ASP A 32 19.258 -13.350 -0.601 1.00 0.00 C ATOM 517 CG ASP A 32 19.337 -11.913 -1.129 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.281 -11.306 -1.210 1.00 0.00 O ATOM 519 OD2 ASP A 32 20.449 -11.505 -1.420 1.00 0.00 O ATOM 0 H ASP A 32 17.788 -12.748 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 32 17.724 -14.931 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.593 -13.387 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.922 -13.997 -1.174 1.00 0.00 H new ATOM 524 N ALA A 33 16.084 -12.313 0.008 1.00 0.00 N ATOM 525 CA ALA A 33 15.255 -11.624 1.031 1.00 0.00 C ATOM 526 C ALA A 33 14.201 -12.546 1.631 1.00 0.00 C ATOM 527 O ALA A 33 13.987 -12.542 2.829 1.00 0.00 O ATOM 528 CB ALA A 33 14.534 -10.452 0.364 1.00 0.00 C ATOM 0 H ALA A 33 15.892 -12.056 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 33 15.918 -11.293 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.920 -9.935 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.268 -9.759 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.898 -10.825 -0.439 1.00 0.00 H new ATOM 534 N SER A 34 13.546 -13.305 0.784 1.00 0.00 N ATOM 535 CA SER A 34 12.491 -14.241 1.276 1.00 0.00 C ATOM 536 C SER A 34 11.274 -13.463 1.786 1.00 0.00 C ATOM 537 O SER A 34 10.211 -14.021 1.961 1.00 0.00 O ATOM 538 CB SER A 34 13.076 -15.101 2.425 1.00 0.00 C ATOM 539 OG SER A 34 12.504 -16.389 2.222 1.00 0.00 O ATOM 0 H SER A 34 13.698 -13.315 -0.225 1.00 0.00 H new ATOM 0 HA SER A 34 12.172 -14.881 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.165 -15.137 2.381 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.809 -14.696 3.401 1.00 0.00 H new ATOM 0 HG SER A 34 12.827 -17.003 2.914 1.00 0.00 H new ATOM 545 N VAL A 35 11.468 -12.188 2.002 1.00 0.00 N ATOM 546 CA VAL A 35 10.368 -11.326 2.497 1.00 0.00 C ATOM 547 C VAL A 35 9.641 -11.947 3.697 1.00 0.00 C ATOM 548 O VAL A 35 8.609 -12.578 3.550 1.00 0.00 O ATOM 549 CB VAL A 35 9.383 -11.125 1.348 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.348 -10.081 1.750 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.147 -10.620 0.124 1.00 0.00 C ATOM 0 H VAL A 35 12.355 -11.707 1.853 1.00 0.00 H new ATOM 0 HA VAL A 35 10.786 -10.378 2.835 1.00 0.00 H new ATOM 0 HB VAL A 35 8.886 -12.068 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.643 -9.934 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.811 -10.423 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.849 -9.138 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.453 -10.473 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.632 -9.674 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.902 -11.353 -0.162 1.00 0.00 H new ATOM 561 N ASN A 36 10.206 -11.742 4.868 1.00 0.00 N ATOM 562 CA ASN A 36 9.594 -12.296 6.115 1.00 0.00 C ATOM 563 C ASN A 36 8.644 -11.278 6.741 1.00 0.00 C ATOM 564 O ASN A 36 8.234 -11.431 7.877 1.00 0.00 O ATOM 565 CB ASN A 36 10.730 -12.580 7.114 1.00 0.00 C ATOM 566 CG ASN A 36 11.883 -13.278 6.387 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.981 -14.489 6.373 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.775 -12.549 5.776 1.00 0.00 N ATOM 0 H ASN A 36 11.067 -11.213 5.010 1.00 0.00 H new ATOM 0 HA ASN A 36 9.036 -13.202 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.078 -11.649 7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.366 -13.207 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.552 -12.996 5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.696 -11.532 5.786 1.00 0.00 H new ATOM 575 N PHE A 37 8.316 -10.254 5.979 1.00 0.00 N ATOM 576 CA PHE A 37 7.396 -9.199 6.493 1.00 0.00 C ATOM 577 C PHE A 37 7.868 -8.705 7.852 1.00 0.00 C ATOM 578 O PHE A 37 7.089 -8.324 8.706 1.00 0.00 O ATOM 579 CB PHE A 37 5.966 -9.779 6.571 1.00 0.00 C ATOM 580 CG PHE A 37 5.436 -9.884 5.142 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.705 -11.004 4.373 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.746 -8.829 4.571 1.00 0.00 C ATOM 583 CE1 PHE A 37 5.296 -11.061 3.056 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.339 -8.890 3.254 1.00 0.00 C ATOM 585 CZ PHE A 37 4.615 -10.003 2.498 1.00 0.00 C ATOM 0 H PHE A 37 8.649 -10.110 5.026 1.00 0.00 H new ATOM 0 HA PHE A 37 7.394 -8.344 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.975 -10.758 7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.323 -9.136 7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.238 -11.838 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.524 -7.952 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.511 -11.937 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.802 -8.061 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.298 -10.048 1.467 1.00 0.00 H new ATOM 595 N SER A 38 9.167 -8.737 8.003 1.00 0.00 N ATOM 596 CA SER A 38 9.816 -8.292 9.260 1.00 0.00 C ATOM 597 C SER A 38 11.146 -7.668 8.899 1.00 0.00 C ATOM 598 O SER A 38 11.937 -7.317 9.753 1.00 0.00 O ATOM 599 CB SER A 38 10.061 -9.515 10.161 1.00 0.00 C ATOM 600 OG SER A 38 8.771 -9.847 10.653 1.00 0.00 O ATOM 0 H SER A 38 9.816 -9.062 7.286 1.00 0.00 H new ATOM 0 HA SER A 38 9.185 -7.575 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.499 -10.341 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.749 -9.280 10.973 1.00 0.00 H new ATOM 0 HG SER A 38 8.299 -10.394 9.991 1.00 0.00 H new ATOM 606 N GLU A 39 11.352 -7.548 7.601 1.00 0.00 N ATOM 607 CA GLU A 39 12.607 -6.954 7.071 1.00 0.00 C ATOM 608 C GLU A 39 12.316 -6.233 5.769 1.00 0.00 C ATOM 609 O GLU A 39 12.929 -5.231 5.453 1.00 0.00 O ATOM 610 CB GLU A 39 13.604 -8.094 6.793 1.00 0.00 C ATOM 611 CG GLU A 39 13.956 -8.785 8.110 1.00 0.00 C ATOM 612 CD GLU A 39 15.181 -9.679 7.905 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.999 -10.714 7.286 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.231 -9.276 8.382 1.00 0.00 O ATOM 0 H GLU A 39 10.687 -7.844 6.886 1.00 0.00 H new ATOM 0 HA GLU A 39 13.019 -6.250 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.170 -8.811 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.505 -7.699 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.160 -8.041 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.112 -9.381 8.458 1.00 0.00 H new ATOM 621 N PHE A 40 11.375 -6.759 5.036 1.00 0.00 N ATOM 622 CA PHE A 40 11.010 -6.134 3.747 1.00 0.00 C ATOM 623 C PHE A 40 10.179 -4.883 3.980 1.00 0.00 C ATOM 624 O PHE A 40 10.552 -3.811 3.560 1.00 0.00 O ATOM 625 CB PHE A 40 10.193 -7.140 2.930 1.00 0.00 C ATOM 626 CG PHE A 40 9.846 -6.510 1.582 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.851 -6.098 0.721 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.528 -6.303 1.221 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.543 -5.486 -0.467 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.221 -5.692 0.030 1.00 0.00 C ATOM 631 CZ PHE A 40 9.228 -5.280 -0.815 1.00 0.00 C ATOM 0 H PHE A 40 10.845 -7.596 5.279 1.00 0.00 H new ATOM 0 HA PHE A 40 11.917 -5.855 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.762 -8.058 2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.283 -7.411 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.885 -6.260 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.735 -6.624 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.333 -5.166 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.188 -5.534 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.985 -4.796 -1.749 1.00 0.00 H new ATOM 641 N SER A 41 9.030 -5.050 4.591 1.00 0.00 N ATOM 642 CA SER A 41 8.172 -3.871 4.862 1.00 0.00 C ATOM 643 C SER A 41 8.976 -2.835 5.609 1.00 0.00 C ATOM 644 O SER A 41 8.714 -1.672 5.514 1.00 0.00 O ATOM 645 CB SER A 41 6.982 -4.311 5.730 1.00 0.00 C ATOM 646 OG SER A 41 6.267 -5.222 4.907 1.00 0.00 O ATOM 0 H SER A 41 8.659 -5.946 4.908 1.00 0.00 H new ATOM 0 HA SER A 41 7.811 -3.449 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.316 -4.786 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.362 -3.461 6.015 1.00 0.00 H new ATOM 0 HG SER A 41 5.484 -5.556 5.392 1.00 0.00 H new ATOM 652 N LYS A 42 9.938 -3.281 6.366 1.00 0.00 N ATOM 653 CA LYS A 42 10.754 -2.313 7.110 1.00 0.00 C ATOM 654 C LYS A 42 11.411 -1.388 6.092 1.00 0.00 C ATOM 655 O LYS A 42 11.616 -0.210 6.331 1.00 0.00 O ATOM 656 CB LYS A 42 11.853 -3.092 7.894 1.00 0.00 C ATOM 657 CG LYS A 42 12.350 -2.244 9.122 1.00 0.00 C ATOM 658 CD LYS A 42 11.810 -2.841 10.441 1.00 0.00 C ATOM 659 CE LYS A 42 10.293 -2.648 10.503 1.00 0.00 C ATOM 660 NZ LYS A 42 9.950 -1.200 10.495 1.00 0.00 N ATOM 0 H LYS A 42 10.185 -4.262 6.494 1.00 0.00 H new ATOM 0 HA LYS A 42 10.149 -1.737 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.456 -4.047 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.691 -3.315 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.440 -2.226 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.016 -1.212 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.055 -3.901 10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.285 -2.356 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.823 -3.144 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.898 -3.116 11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.290 -0.995 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.816 -0.637 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.504 -0.954 9.588 1.00 0.00 H new ATOM 674 N LYS A 43 11.714 -1.972 4.961 1.00 0.00 N ATOM 675 CA LYS A 43 12.350 -1.225 3.876 1.00 0.00 C ATOM 676 C LYS A 43 11.328 -0.345 3.141 1.00 0.00 C ATOM 677 O LYS A 43 11.537 0.844 2.982 1.00 0.00 O ATOM 678 CB LYS A 43 12.950 -2.271 2.881 1.00 0.00 C ATOM 679 CG LYS A 43 14.321 -1.783 2.371 1.00 0.00 C ATOM 680 CD LYS A 43 15.429 -2.127 3.409 1.00 0.00 C ATOM 681 CE LYS A 43 16.029 -3.517 3.106 1.00 0.00 C ATOM 682 NZ LYS A 43 15.023 -4.591 3.346 1.00 0.00 N ATOM 0 H LYS A 43 11.537 -2.955 4.756 1.00 0.00 H new ATOM 0 HA LYS A 43 13.123 -0.570 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.059 -3.236 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.271 -2.418 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.550 -2.252 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.293 -0.707 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.213 -1.370 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.011 -2.115 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.368 -3.554 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.904 -3.685 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.512 -5.492 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.443 -4.345 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.411 -4.686 2.511 1.00 0.00 H new ATOM 696 N CYS A 44 10.233 -0.941 2.708 1.00 0.00 N ATOM 697 CA CYS A 44 9.226 -0.139 1.999 1.00 0.00 C ATOM 698 C CYS A 44 8.758 1.009 2.869 1.00 0.00 C ATOM 699 O CYS A 44 8.431 2.070 2.380 1.00 0.00 O ATOM 700 CB CYS A 44 8.058 -1.039 1.658 1.00 0.00 C ATOM 701 SG CYS A 44 8.418 -2.540 0.715 1.00 0.00 S ATOM 0 H CYS A 44 10.013 -1.931 2.821 1.00 0.00 H new ATOM 0 HA CYS A 44 9.658 0.279 1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.575 -1.333 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.333 -0.452 1.095 1.00 0.00 H new ATOM 0 HG CYS A 44 8.095 -3.583 1.420 1.00 0.00 H new ATOM 707 N SER A 45 8.723 0.771 4.146 1.00 0.00 N ATOM 708 CA SER A 45 8.280 1.849 5.071 1.00 0.00 C ATOM 709 C SER A 45 9.176 3.060 4.873 1.00 0.00 C ATOM 710 O SER A 45 8.708 4.166 4.695 1.00 0.00 O ATOM 711 CB SER A 45 8.417 1.347 6.537 1.00 0.00 C ATOM 712 OG SER A 45 7.126 0.860 6.865 1.00 0.00 O ATOM 0 H SER A 45 8.978 -0.112 4.588 1.00 0.00 H new ATOM 0 HA SER A 45 7.243 2.115 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.170 0.563 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.720 2.152 7.206 1.00 0.00 H new ATOM 0 HG SER A 45 6.811 0.264 6.154 1.00 0.00 H new ATOM 718 N GLU A 46 10.458 2.821 4.908 1.00 0.00 N ATOM 719 CA GLU A 46 11.406 3.935 4.724 1.00 0.00 C ATOM 720 C GLU A 46 11.283 4.502 3.308 1.00 0.00 C ATOM 721 O GLU A 46 11.841 5.539 3.006 1.00 0.00 O ATOM 722 CB GLU A 46 12.839 3.392 4.945 1.00 0.00 C ATOM 723 CG GLU A 46 13.752 4.537 5.396 1.00 0.00 C ATOM 724 CD GLU A 46 15.191 4.028 5.497 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.330 2.833 5.706 1.00 0.00 O ATOM 726 OE2 GLU A 46 16.071 4.861 5.362 1.00 0.00 O ATOM 0 H GLU A 46 10.881 1.904 5.056 1.00 0.00 H new ATOM 0 HA GLU A 46 11.187 4.731 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.829 2.602 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.219 2.950 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.695 5.363 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.422 4.922 6.361 1.00 0.00 H new ATOM 733 N ARG A 47 10.547 3.780 2.470 1.00 0.00 N ATOM 734 CA ARG A 47 10.334 4.208 1.048 1.00 0.00 C ATOM 735 C ARG A 47 8.944 4.839 0.874 1.00 0.00 C ATOM 736 O ARG A 47 8.655 5.434 -0.147 1.00 0.00 O ATOM 737 CB ARG A 47 10.435 2.941 0.153 1.00 0.00 C ATOM 738 CG ARG A 47 10.849 3.346 -1.269 1.00 0.00 C ATOM 739 CD ARG A 47 10.776 2.117 -2.185 1.00 0.00 C ATOM 740 NE ARG A 47 11.459 0.970 -1.520 1.00 0.00 N ATOM 741 CZ ARG A 47 12.761 0.873 -1.572 1.00 0.00 C ATOM 742 NH1 ARG A 47 13.440 1.790 -2.208 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.337 -0.137 -0.982 1.00 0.00 N ATOM 0 H ARG A 47 10.085 2.906 2.723 1.00 0.00 H new ATOM 0 HA ARG A 47 11.084 4.949 0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.163 2.246 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.476 2.423 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.192 4.132 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.861 3.752 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.736 1.865 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.250 2.333 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 47 10.912 0.264 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.953 2.567 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.457 1.729 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.772 -0.831 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.352 -0.233 -1.010 1.00 0.00 H new ATOM 757 N TRP A 48 8.119 4.679 1.893 1.00 0.00 N ATOM 758 CA TRP A 48 6.721 5.240 1.871 1.00 0.00 C ATOM 759 C TRP A 48 6.625 6.511 2.720 1.00 0.00 C ATOM 760 O TRP A 48 6.264 7.565 2.229 1.00 0.00 O ATOM 761 CB TRP A 48 5.818 4.129 2.459 1.00 0.00 C ATOM 762 CG TRP A 48 4.527 4.680 3.078 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.374 4.887 4.368 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.391 4.831 2.437 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.058 5.150 4.496 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.363 5.132 3.308 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.134 4.727 1.091 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.081 5.314 2.835 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.846 4.919 0.617 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.826 5.209 1.494 1.00 0.00 C ATOM 0 H TRP A 48 8.359 4.177 2.748 1.00 0.00 H new ATOM 0 HA TRP A 48 6.421 5.517 0.860 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.564 3.419 1.672 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.374 3.579 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.126 4.854 5.143 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.616 5.345 5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.934 4.496 0.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.278 5.539 3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.643 4.841 -0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.178 5.354 1.124 1.00 0.00 H new ATOM 781 N LYS A 49 6.944 6.373 3.968 1.00 0.00 N ATOM 782 CA LYS A 49 6.889 7.558 4.905 1.00 0.00 C ATOM 783 C LYS A 49 7.614 8.774 4.321 1.00 0.00 C ATOM 784 O LYS A 49 7.450 9.884 4.787 1.00 0.00 O ATOM 785 CB LYS A 49 7.623 7.182 6.212 1.00 0.00 C ATOM 786 CG LYS A 49 6.840 6.109 6.975 1.00 0.00 C ATOM 787 CD LYS A 49 7.360 6.049 8.420 1.00 0.00 C ATOM 788 CE LYS A 49 6.686 4.889 9.160 1.00 0.00 C ATOM 789 NZ LYS A 49 7.284 3.587 8.742 1.00 0.00 N ATOM 0 H LYS A 49 7.243 5.497 4.397 1.00 0.00 H new ATOM 0 HA LYS A 49 5.841 7.806 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.624 6.816 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.743 8.067 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.775 6.342 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.958 5.140 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.442 5.916 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.153 6.989 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.801 5.020 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.616 4.889 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.915 2.825 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.036 3.393 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.319 3.634 8.837 1.00 0.00 H new ATOM 803 N THR A 50 8.390 8.524 3.310 1.00 0.00 N ATOM 804 CA THR A 50 9.162 9.609 2.647 1.00 0.00 C ATOM 805 C THR A 50 8.363 10.331 1.564 1.00 0.00 C ATOM 806 O THR A 50 8.478 11.531 1.404 1.00 0.00 O ATOM 807 CB THR A 50 10.380 8.935 2.000 1.00 0.00 C ATOM 808 OG1 THR A 50 10.727 9.718 0.868 1.00 0.00 O ATOM 809 CG2 THR A 50 9.969 7.576 1.424 1.00 0.00 C ATOM 0 H THR A 50 8.526 7.597 2.906 1.00 0.00 H new ATOM 0 HA THR A 50 9.431 10.362 3.388 1.00 0.00 H new ATOM 0 HB THR A 50 11.179 8.834 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.505 9.323 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.835 7.099 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.587 6.942 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.193 7.719 0.672 1.00 0.00 H new ATOM 817 N MET A 51 7.590 9.591 0.842 1.00 0.00 N ATOM 818 CA MET A 51 6.784 10.209 -0.232 1.00 0.00 C ATOM 819 C MET A 51 5.935 11.353 0.292 1.00 0.00 C ATOM 820 O MET A 51 5.798 11.528 1.488 1.00 0.00 O ATOM 821 CB MET A 51 5.865 9.136 -0.820 1.00 0.00 C ATOM 822 CG MET A 51 6.717 7.979 -1.349 1.00 0.00 C ATOM 823 SD MET A 51 5.903 6.748 -2.406 1.00 0.00 S ATOM 824 CE MET A 51 4.331 6.664 -1.510 1.00 0.00 C ATOM 0 H MET A 51 7.479 8.582 0.947 1.00 0.00 H new ATOM 0 HA MET A 51 7.459 10.611 -0.987 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.173 8.776 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.262 9.557 -1.625 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.550 8.404 -1.909 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.143 7.457 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.779 5.779 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.525 6.607 -0.439 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.742 7.555 -1.725 1.00 0.00 H new ATOM 834 N SER A 52 5.369 12.108 -0.626 1.00 0.00 N ATOM 835 CA SER A 52 4.515 13.260 -0.227 1.00 0.00 C ATOM 836 C SER A 52 3.084 12.799 -0.075 1.00 0.00 C ATOM 837 O SER A 52 2.701 11.795 -0.641 1.00 0.00 O ATOM 838 CB SER A 52 4.579 14.315 -1.344 1.00 0.00 C ATOM 839 OG SER A 52 4.422 13.566 -2.539 1.00 0.00 O ATOM 0 H SER A 52 5.466 11.970 -1.632 1.00 0.00 H new ATOM 0 HA SER A 52 4.866 13.675 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.791 15.060 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.528 14.851 -1.332 1.00 0.00 H new ATOM 0 HG SER A 52 4.450 14.170 -3.310 1.00 0.00 H new ATOM 845 N ALA A 53 2.312 13.521 0.686 1.00 0.00 N ATOM 846 CA ALA A 53 0.914 13.108 0.857 1.00 0.00 C ATOM 847 C ALA A 53 0.232 13.019 -0.490 1.00 0.00 C ATOM 848 O ALA A 53 -0.836 12.456 -0.617 1.00 0.00 O ATOM 849 CB ALA A 53 0.193 14.132 1.716 1.00 0.00 C ATOM 0 H ALA A 53 2.592 14.365 1.186 1.00 0.00 H new ATOM 0 HA ALA A 53 0.885 12.130 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.846 13.830 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.678 14.195 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.230 15.106 1.229 1.00 0.00 H new ATOM 855 N LYS A 54 0.869 13.584 -1.480 1.00 0.00 N ATOM 856 CA LYS A 54 0.282 13.545 -2.830 1.00 0.00 C ATOM 857 C LYS A 54 0.305 12.118 -3.352 1.00 0.00 C ATOM 858 O LYS A 54 -0.722 11.561 -3.707 1.00 0.00 O ATOM 859 CB LYS A 54 1.124 14.433 -3.759 1.00 0.00 C ATOM 860 CG LYS A 54 1.132 15.865 -3.218 1.00 0.00 C ATOM 861 CD LYS A 54 2.060 16.727 -4.086 1.00 0.00 C ATOM 862 CE LYS A 54 1.508 16.806 -5.523 1.00 0.00 C ATOM 863 NZ LYS A 54 1.984 18.047 -6.193 1.00 0.00 N ATOM 0 H LYS A 54 1.765 14.066 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.747 13.903 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.143 14.050 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.713 14.415 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.122 16.275 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.471 15.873 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.142 17.728 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.063 16.301 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.828 15.933 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.418 16.791 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.604 18.087 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.657 18.877 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.023 18.045 -6.229 1.00 0.00 H new ATOM 877 N GLU A 55 1.479 11.534 -3.384 1.00 0.00 N ATOM 878 CA GLU A 55 1.564 10.151 -3.877 1.00 0.00 C ATOM 879 C GLU A 55 0.814 9.235 -2.933 1.00 0.00 C ATOM 880 O GLU A 55 0.093 8.351 -3.359 1.00 0.00 O ATOM 881 CB GLU A 55 3.034 9.728 -3.913 1.00 0.00 C ATOM 882 CG GLU A 55 3.826 10.729 -4.755 1.00 0.00 C ATOM 883 CD GLU A 55 3.275 10.738 -6.182 1.00 0.00 C ATOM 884 OE1 GLU A 55 3.559 9.775 -6.877 1.00 0.00 O ATOM 885 OE2 GLU A 55 2.601 11.704 -6.496 1.00 0.00 O ATOM 0 H GLU A 55 2.360 11.958 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 55 1.129 10.088 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.437 9.686 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.126 8.727 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.754 11.725 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.882 10.460 -4.763 1.00 0.00 H new ATOM 892 N LYS A 56 0.981 9.471 -1.653 1.00 0.00 N ATOM 893 CA LYS A 56 0.280 8.619 -0.678 1.00 0.00 C ATOM 894 C LYS A 56 -1.197 8.941 -0.743 1.00 0.00 C ATOM 895 O LYS A 56 -2.007 8.341 -0.062 1.00 0.00 O ATOM 896 CB LYS A 56 0.818 8.926 0.733 1.00 0.00 C ATOM 897 CG LYS A 56 2.367 8.791 0.732 1.00 0.00 C ATOM 898 CD LYS A 56 2.979 9.417 2.034 1.00 0.00 C ATOM 899 CE LYS A 56 3.226 8.329 3.092 1.00 0.00 C ATOM 900 NZ LYS A 56 1.933 7.799 3.617 1.00 0.00 N ATOM 0 H LYS A 56 1.566 10.208 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 56 0.441 7.564 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.529 9.933 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.382 8.239 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.645 7.739 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.780 9.289 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.916 9.920 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.303 10.173 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.807 7.517 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.816 8.739 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.970 7.760 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.156 8.424 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.771 6.843 3.240 1.00 0.00 H new ATOM 914 N GLY A 57 -1.509 9.905 -1.576 1.00 0.00 N ATOM 915 CA GLY A 57 -2.925 10.325 -1.745 1.00 0.00 C ATOM 916 C GLY A 57 -3.627 9.370 -2.713 1.00 0.00 C ATOM 917 O GLY A 57 -4.785 9.045 -2.548 1.00 0.00 O ATOM 0 H GLY A 57 -0.836 10.418 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.434 10.322 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.970 11.345 -2.127 1.00 0.00 H new ATOM 921 N LYS A 58 -2.898 8.950 -3.713 1.00 0.00 N ATOM 922 CA LYS A 58 -3.474 8.022 -4.707 1.00 0.00 C ATOM 923 C LYS A 58 -3.569 6.623 -4.090 1.00 0.00 C ATOM 924 O LYS A 58 -4.427 5.828 -4.436 1.00 0.00 O ATOM 925 CB LYS A 58 -2.508 8.057 -5.941 1.00 0.00 C ATOM 926 CG LYS A 58 -2.435 6.693 -6.684 1.00 0.00 C ATOM 927 CD LYS A 58 -1.302 5.823 -6.081 1.00 0.00 C ATOM 928 CE LYS A 58 0.060 6.237 -6.688 1.00 0.00 C ATOM 929 NZ LYS A 58 0.359 5.430 -7.907 1.00 0.00 N ATOM 0 H LYS A 58 -1.927 9.215 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.481 8.302 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.841 8.828 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.509 8.339 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.389 6.172 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.253 6.857 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.278 5.941 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.494 4.769 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.044 7.297 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.850 6.098 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.277 5.722 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.395 4.422 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.386 5.583 -8.616 1.00 0.00 H new ATOM 943 N PHE A 59 -2.715 6.385 -3.143 1.00 0.00 N ATOM 944 CA PHE A 59 -2.707 5.065 -2.467 1.00 0.00 C ATOM 945 C PHE A 59 -3.795 5.073 -1.432 1.00 0.00 C ATOM 946 O PHE A 59 -4.322 4.047 -1.053 1.00 0.00 O ATOM 947 CB PHE A 59 -1.342 4.869 -1.762 1.00 0.00 C ATOM 948 CG PHE A 59 -0.292 4.375 -2.772 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.412 3.132 -3.364 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.811 5.156 -3.077 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.555 2.681 -4.241 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.767 4.705 -3.951 1.00 0.00 C ATOM 953 CZ PHE A 59 1.642 3.469 -4.535 1.00 0.00 C ATOM 0 H PHE A 59 -2.019 7.050 -2.806 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.865 4.262 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.016 5.809 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.443 4.149 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.266 2.510 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.919 6.130 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.457 1.707 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.621 5.325 -4.181 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.396 3.117 -5.224 1.00 0.00 H new ATOM 963 N GLU A 60 -4.112 6.256 -0.993 1.00 0.00 N ATOM 964 CA GLU A 60 -5.161 6.408 0.019 1.00 0.00 C ATOM 965 C GLU A 60 -6.484 6.166 -0.652 1.00 0.00 C ATOM 966 O GLU A 60 -7.433 5.739 -0.039 1.00 0.00 O ATOM 967 CB GLU A 60 -5.095 7.872 0.547 1.00 0.00 C ATOM 968 CG GLU A 60 -4.429 7.913 1.934 1.00 0.00 C ATOM 969 CD GLU A 60 -5.467 7.570 3.011 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.324 8.410 3.222 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.339 6.491 3.562 1.00 0.00 O ATOM 0 H GLU A 60 -3.679 7.126 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.035 5.709 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.533 8.492 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.100 8.289 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.601 7.205 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.011 8.902 2.119 1.00 0.00 H new ATOM 978 N ASP A 61 -6.505 6.447 -1.921 1.00 0.00 N ATOM 979 CA ASP A 61 -7.750 6.249 -2.691 1.00 0.00 C ATOM 980 C ASP A 61 -7.928 4.778 -3.000 1.00 0.00 C ATOM 981 O ASP A 61 -9.032 4.303 -3.169 1.00 0.00 O ATOM 982 CB ASP A 61 -7.629 7.038 -4.000 1.00 0.00 C ATOM 983 CG ASP A 61 -9.005 7.147 -4.659 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.767 7.971 -4.186 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.217 6.397 -5.600 1.00 0.00 O ATOM 0 H ASP A 61 -5.713 6.805 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.610 6.595 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.229 8.032 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.930 6.542 -4.673 1.00 0.00 H new ATOM 990 N MET A 62 -6.825 4.080 -3.084 1.00 0.00 N ATOM 991 CA MET A 62 -6.893 2.641 -3.376 1.00 0.00 C ATOM 992 C MET A 62 -7.291 1.898 -2.126 1.00 0.00 C ATOM 993 O MET A 62 -8.225 1.120 -2.138 1.00 0.00 O ATOM 994 CB MET A 62 -5.501 2.177 -3.850 1.00 0.00 C ATOM 995 CG MET A 62 -5.264 2.642 -5.318 1.00 0.00 C ATOM 996 SD MET A 62 -3.585 3.130 -5.770 1.00 0.00 S ATOM 997 CE MET A 62 -2.777 1.582 -5.323 1.00 0.00 C ATOM 0 H MET A 62 -5.885 4.456 -2.961 1.00 0.00 H new ATOM 0 HA MET A 62 -7.631 2.441 -4.153 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.729 2.588 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.428 1.091 -3.786 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.571 1.834 -5.982 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.925 3.485 -5.516 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.749 1.591 -5.684 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.780 1.470 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.313 0.748 -5.775 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.576 2.137 -1.061 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.921 1.446 0.191 1.00 0.00 C ATOM 1009 C ALA A 63 -8.362 1.789 0.553 1.00 0.00 C ATOM 1010 O ALA A 63 -9.038 1.035 1.227 1.00 0.00 O ATOM 1011 CB ALA A 63 -5.969 1.935 1.306 1.00 0.00 C ATOM 0 H ALA A 63 -5.780 2.773 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.820 0.367 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.214 1.430 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.939 1.709 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.082 3.011 1.435 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.805 2.937 0.089 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.187 3.354 0.382 1.00 0.00 C ATOM 1019 C LYS A 64 -11.135 2.523 -0.458 1.00 0.00 C ATOM 1020 O LYS A 64 -12.237 2.213 -0.048 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.339 4.852 0.023 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.821 5.263 0.080 1.00 0.00 C ATOM 1023 CD LYS A 64 -11.936 6.790 -0.127 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.469 7.543 1.134 1.00 0.00 C ATOM 1025 NZ LYS A 64 -12.055 8.912 1.166 1.00 0.00 N ATOM 0 H LYS A 64 -8.261 3.590 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.417 3.208 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.758 5.461 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.941 5.037 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.386 4.737 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.252 4.981 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.333 7.093 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.968 7.055 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.767 6.992 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.381 7.606 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.732 9.408 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.750 9.440 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.093 8.845 1.176 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.680 2.168 -1.633 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.526 1.362 -2.517 1.00 0.00 C ATOM 1041 C ALA A 65 -11.615 -0.042 -1.985 1.00 0.00 C ATOM 1042 O ALA A 65 -12.624 -0.705 -2.116 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.899 1.335 -3.921 1.00 0.00 C ATOM 0 H ALA A 65 -9.760 2.408 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.525 1.795 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.522 0.737 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.828 2.352 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.902 0.897 -3.866 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.549 -0.472 -1.389 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.532 -1.829 -0.831 1.00 0.00 C ATOM 1051 C ASP A 66 -11.426 -1.864 0.394 1.00 0.00 C ATOM 1052 O ASP A 66 -12.095 -2.845 0.656 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.082 -2.174 -0.425 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.931 -3.692 -0.311 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.920 -4.310 0.037 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -7.831 -4.148 -0.577 1.00 0.00 O ATOM 0 H ASP A 66 -9.689 0.063 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.891 -2.550 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.383 -1.783 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.837 -1.701 0.526 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.418 -0.778 1.121 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.251 -0.705 2.330 1.00 0.00 C ATOM 1063 C LYS A 67 -13.694 -1.007 1.986 1.00 0.00 C ATOM 1064 O LYS A 67 -14.387 -1.662 2.735 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.164 0.719 2.900 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.739 0.728 4.317 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.645 2.145 4.888 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.513 2.243 6.143 1.00 0.00 C ATOM 1069 NZ LYS A 67 -14.956 2.133 5.789 1.00 0.00 N ATOM 0 H LYS A 67 -10.866 0.056 0.920 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.896 -1.433 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.127 1.056 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.717 1.412 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.777 0.396 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.190 0.031 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.609 2.384 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.976 2.871 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.243 1.452 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.327 3.191 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.530 2.589 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.127 2.603 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.220 1.130 5.716 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.129 -0.525 0.848 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.525 -0.782 0.449 1.00 0.00 C ATOM 1085 C ALA A 68 -15.720 -2.232 0.053 1.00 0.00 C ATOM 1086 O ALA A 68 -16.720 -2.836 0.378 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.864 0.116 -0.751 1.00 0.00 C ATOM 0 H ALA A 68 -13.577 0.028 0.192 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.179 -0.565 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.894 -0.062 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.745 1.162 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.193 -0.114 -1.579 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.760 -2.771 -0.633 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.880 -4.190 -1.059 1.00 0.00 C ATOM 1095 C ARG A 69 -15.049 -5.101 0.156 1.00 0.00 C ATOM 1096 O ARG A 69 -15.760 -6.086 0.101 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.588 -4.587 -1.839 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.862 -4.539 -3.348 1.00 0.00 C ATOM 1099 CD ARG A 69 -12.590 -4.922 -4.089 1.00 0.00 C ATOM 1100 NE ARG A 69 -11.544 -3.905 -3.785 1.00 0.00 N ATOM 1101 CZ ARG A 69 -10.509 -3.784 -4.573 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -10.414 -4.561 -5.616 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -9.606 -2.882 -4.292 1.00 0.00 N ATOM 0 H ARG A 69 -13.902 -2.297 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.756 -4.304 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.775 -3.907 -1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.269 -5.588 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.670 -5.223 -3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.184 -3.540 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.256 -5.913 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.775 -4.966 -5.162 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.636 -3.306 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.141 -5.250 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.612 -4.479 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.717 -2.288 -3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.791 -2.772 -4.895 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.387 -4.763 1.226 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.504 -5.601 2.441 1.00 0.00 C ATOM 1119 C TYR A 70 -15.956 -5.673 2.898 1.00 0.00 C ATOM 1120 O TYR A 70 -16.453 -6.735 3.219 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.657 -4.963 3.554 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.460 -5.973 4.688 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -12.549 -7.006 4.563 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -14.186 -5.863 5.855 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -12.370 -7.908 5.591 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -14.007 -6.766 6.882 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.099 -7.796 6.758 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.921 -8.701 7.785 1.00 0.00 O ATOM 0 H TYR A 70 -13.777 -3.950 1.308 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.155 -6.610 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.690 -4.652 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.149 -4.067 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.974 -7.107 3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.902 -5.062 5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.653 -8.709 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.583 -6.665 7.790 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.514 -8.471 8.530 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.614 -4.532 2.918 1.00 0.00 N ATOM 1139 CA GLU A 71 -18.031 -4.510 3.348 1.00 0.00 C ATOM 1140 C GLU A 71 -18.943 -4.952 2.214 1.00 0.00 C ATOM 1141 O GLU A 71 -20.097 -5.265 2.426 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.398 -3.070 3.739 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.300 -2.500 4.639 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.819 -1.241 5.337 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.014 -0.270 4.627 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -17.990 -1.323 6.543 1.00 0.00 O ATOM 0 H GLU A 71 -16.223 -3.627 2.655 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.158 -5.190 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.509 -2.455 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.356 -3.054 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.999 -3.242 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.416 -2.263 4.047 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.404 -4.966 1.027 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.221 -5.382 -0.138 1.00 0.00 C ATOM 1155 C ARG A 72 -19.467 -6.880 -0.133 1.00 0.00 C ATOM 1156 O ARG A 72 -20.580 -7.332 -0.321 1.00 0.00 O ATOM 1157 CB ARG A 72 -18.460 -5.016 -1.421 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.409 -5.128 -2.610 1.00 0.00 C ATOM 1159 CD ARG A 72 -18.684 -4.674 -3.871 1.00 0.00 C ATOM 1160 NE ARG A 72 -19.570 -4.916 -5.046 1.00 0.00 N ATOM 1161 CZ ARG A 72 -20.503 -4.049 -5.343 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -20.641 -2.981 -4.601 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -21.275 -4.284 -6.368 1.00 0.00 N ATOM 0 H ARG A 72 -17.440 -4.709 0.817 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.183 -4.873 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.065 -4.003 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.607 -5.681 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.751 -6.157 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -20.294 -4.514 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.430 -3.616 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.747 -5.220 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.449 -5.754 -5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.025 -2.832 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.365 -2.297 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.145 -5.131 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.009 -3.621 -6.617 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.430 -7.618 0.080 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.575 -9.091 0.100 1.00 0.00 C ATOM 1179 C GLU A 73 -19.274 -9.567 1.367 1.00 0.00 C ATOM 1180 O GLU A 73 -19.691 -10.702 1.452 1.00 0.00 O ATOM 1181 CB GLU A 73 -17.174 -9.714 0.049 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.590 -9.524 -1.353 1.00 0.00 C ATOM 1183 CD GLU A 73 -15.290 -10.320 -1.471 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -14.332 -9.888 -0.850 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -15.325 -11.314 -2.178 1.00 0.00 O ATOM 0 H GLU A 73 -17.485 -7.269 0.242 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.178 -9.393 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.528 -9.246 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.225 -10.775 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.304 -9.859 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.401 -8.467 -1.541 1.00 0.00 H new ATOM 1192 N MET A 74 -19.393 -8.698 2.334 1.00 0.00 N ATOM 1193 CA MET A 74 -20.061 -9.105 3.588 1.00 0.00 C ATOM 1194 C MET A 74 -21.579 -9.237 3.387 1.00 0.00 C ATOM 1195 O MET A 74 -22.295 -9.583 4.305 1.00 0.00 O ATOM 1196 CB MET A 74 -19.770 -8.020 4.678 1.00 0.00 C ATOM 1197 CG MET A 74 -18.604 -8.481 5.564 1.00 0.00 C ATOM 1198 SD MET A 74 -18.932 -9.840 6.716 1.00 0.00 S ATOM 1199 CE MET A 74 -17.262 -9.976 7.396 1.00 0.00 C ATOM 0 H MET A 74 -19.058 -7.735 2.305 1.00 0.00 H new ATOM 0 HA MET A 74 -19.676 -10.076 3.899 1.00 0.00 H new ATOM 0 HB2 MET A 74 -19.526 -7.070 4.204 1.00 0.00 H new ATOM 0 HB3 MET A 74 -20.659 -7.854 5.287 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.782 -8.780 4.913 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.258 -7.624 6.141 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.236 -10.771 8.142 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.561 -10.208 6.595 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.981 -9.032 7.862 1.00 0.00 H new ATOM 1209 N LYS A 75 -22.036 -8.963 2.192 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.486 -9.068 1.928 1.00 0.00 C ATOM 1211 C LYS A 75 -23.919 -10.530 1.796 1.00 0.00 C ATOM 1212 O LYS A 75 -25.016 -10.811 1.354 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.790 -8.325 0.600 1.00 0.00 C ATOM 1214 CG LYS A 75 -25.221 -7.751 0.648 1.00 0.00 C ATOM 1215 CD LYS A 75 -25.702 -7.453 -0.776 1.00 0.00 C ATOM 1216 CE LYS A 75 -24.659 -6.588 -1.492 1.00 0.00 C ATOM 1217 NZ LYS A 75 -25.236 -5.998 -2.731 1.00 0.00 N ATOM 0 H LYS A 75 -21.465 -8.674 1.398 1.00 0.00 H new ATOM 0 HA LYS A 75 -24.034 -8.626 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -23.069 -7.522 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.689 -9.009 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -25.893 -8.462 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -25.239 -6.840 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -25.856 -8.384 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -26.662 -6.937 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -24.318 -5.794 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.786 -7.191 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.517 -5.415 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.539 -6.760 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -26.055 -5.406 -2.485 1.00 0.00 H new ATOM 1231 N THR A 76 -23.045 -11.434 2.178 1.00 0.00 N ATOM 1232 CA THR A 76 -23.401 -12.883 2.079 1.00 0.00 C ATOM 1233 C THR A 76 -22.565 -13.733 3.026 1.00 0.00 C ATOM 1234 O THR A 76 -22.913 -14.864 3.303 1.00 0.00 O ATOM 1235 CB THR A 76 -23.158 -13.349 0.635 1.00 0.00 C ATOM 1236 OG1 THR A 76 -23.381 -14.744 0.652 1.00 0.00 O ATOM 1237 CG2 THR A 76 -21.680 -13.201 0.241 1.00 0.00 C ATOM 0 H THR A 76 -22.116 -11.234 2.548 1.00 0.00 H new ATOM 0 HA THR A 76 -24.448 -13.002 2.358 1.00 0.00 H new ATOM 0 HB THR A 76 -23.789 -12.775 -0.044 1.00 0.00 H new ATOM 0 HG1 THR A 76 -23.361 -15.067 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.542 -13.539 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.385 -12.155 0.321 1.00 0.00 H new ATOM 0 HG23 THR A 76 -21.064 -13.804 0.908 1.00 0.00 H new ATOM 1245 N TYR A 77 -21.478 -13.186 3.516 1.00 0.00 N ATOM 1246 CA TYR A 77 -20.636 -13.979 4.442 1.00 0.00 C ATOM 1247 C TYR A 77 -21.336 -14.090 5.795 1.00 0.00 C ATOM 1248 O TYR A 77 -22.239 -14.882 5.939 1.00 0.00 O ATOM 1249 CB TYR A 77 -19.268 -13.268 4.593 1.00 0.00 C ATOM 1250 CG TYR A 77 -18.323 -14.112 5.480 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -18.038 -15.438 5.171 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -17.739 -13.557 6.602 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -17.197 -16.179 5.973 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -16.894 -14.307 7.401 1.00 0.00 C ATOM 1255 CZ TYR A 77 -16.620 -15.622 7.091 1.00 0.00 C ATOM 1256 OH TYR A 77 -15.789 -16.370 7.896 1.00 0.00 O ATOM 0 H TYR A 77 -21.149 -12.242 3.315 1.00 0.00 H new ATOM 0 HA TYR A 77 -20.479 -14.984 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.818 -13.116 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -19.409 -12.282 5.035 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -18.479 -15.891 4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.944 -12.528 6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -16.989 -17.208 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.445 -13.858 8.275 1.00 0.00 H new ATOM 0 HH TYR A 77 -15.470 -15.817 8.640 1.00 0.00 H new ATOM 1266 N ILE A 78 -20.920 -13.275 6.749 1.00 0.00 N ATOM 1267 CA ILE A 78 -21.553 -13.308 8.120 1.00 0.00 C ATOM 1268 C ILE A 78 -21.777 -14.764 8.634 1.00 0.00 C ATOM 1269 O ILE A 78 -22.844 -15.325 8.460 1.00 0.00 O ATOM 1270 CB ILE A 78 -22.918 -12.610 7.994 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -22.703 -11.121 7.598 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -23.665 -12.682 9.374 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -23.921 -10.614 6.809 1.00 0.00 C ATOM 0 H ILE A 78 -20.172 -12.591 6.638 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.893 -12.814 8.833 1.00 0.00 H new ATOM 0 HB ILE A 78 -23.515 -13.106 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -22.558 -10.514 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -21.800 -11.022 6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -24.633 -12.188 9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -23.812 -13.725 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -23.068 -12.182 10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -23.767 -9.571 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -24.045 -11.213 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -24.815 -10.698 7.427 1.00 0.00 H new ATOM 1285 N PRO A 79 -20.776 -15.342 9.295 1.00 0.00 N ATOM 1286 CA PRO A 79 -20.904 -16.703 9.803 1.00 0.00 C ATOM 1287 C PRO A 79 -21.959 -16.777 10.934 1.00 0.00 C ATOM 1288 O PRO A 79 -22.366 -15.762 11.467 1.00 0.00 O ATOM 1289 CB PRO A 79 -19.479 -17.063 10.349 1.00 0.00 C ATOM 1290 CG PRO A 79 -18.576 -15.800 10.135 1.00 0.00 C ATOM 1291 CD PRO A 79 -19.498 -14.679 9.589 1.00 0.00 C ATOM 0 HA PRO A 79 -21.237 -17.396 9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -19.526 -17.329 11.405 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -19.070 -17.924 9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.109 -15.495 11.072 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.771 -16.015 9.433 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.627 -13.883 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.076 -14.223 8.694 1.00 0.00 H new ATOM 1299 N PRO A 80 -22.390 -17.998 11.268 1.00 0.00 N ATOM 1300 CA PRO A 80 -23.383 -18.194 12.324 1.00 0.00 C ATOM 1301 C PRO A 80 -22.806 -17.802 13.688 1.00 0.00 C ATOM 1302 O PRO A 80 -21.883 -17.023 13.776 1.00 0.00 O ATOM 1303 CB PRO A 80 -23.704 -19.730 12.282 1.00 0.00 C ATOM 1304 CG PRO A 80 -22.629 -20.388 11.363 1.00 0.00 C ATOM 1305 CD PRO A 80 -21.924 -19.237 10.609 1.00 0.00 C ATOM 0 HA PRO A 80 -24.271 -17.580 12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -23.672 -20.159 13.283 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -24.706 -19.905 11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -21.913 -20.960 11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -23.092 -21.083 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.840 -19.332 10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -22.185 -19.242 9.551 1.00 0.00 H new ATOM 1313 N LYS A 81 -23.374 -18.351 14.713 1.00 0.00 N ATOM 1314 CA LYS A 81 -22.896 -18.045 16.081 1.00 0.00 C ATOM 1315 C LYS A 81 -21.451 -18.531 16.277 1.00 0.00 C ATOM 1316 O LYS A 81 -21.214 -19.588 16.828 1.00 0.00 O ATOM 1317 CB LYS A 81 -23.828 -18.756 17.103 1.00 0.00 C ATOM 1318 CG LYS A 81 -24.251 -20.134 16.556 1.00 0.00 C ATOM 1319 CD LYS A 81 -25.029 -20.895 17.644 1.00 0.00 C ATOM 1320 CE LYS A 81 -26.385 -20.207 17.897 1.00 0.00 C ATOM 1321 NZ LYS A 81 -27.346 -21.164 18.517 1.00 0.00 N ATOM 0 H LYS A 81 -24.156 -19.004 14.663 1.00 0.00 H new ATOM 0 HA LYS A 81 -22.916 -16.966 16.234 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -23.313 -18.876 18.056 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -24.710 -18.144 17.292 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -24.871 -20.011 15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -23.372 -20.704 16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -25.188 -21.928 17.335 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -24.448 -20.924 18.566 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -26.247 -19.346 18.551 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -26.791 -19.832 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -28.255 -20.686 18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -27.491 -21.973 17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -26.964 -21.502 19.423 1.00 0.00 H new ATOM 1335 N GLY A 82 -20.514 -17.736 15.820 1.00 0.00 N ATOM 1336 CA GLY A 82 -19.076 -18.122 15.961 1.00 0.00 C ATOM 1337 C GLY A 82 -18.181 -16.885 15.849 1.00 0.00 C ATOM 1338 O GLY A 82 -16.988 -16.995 15.636 1.00 0.00 O ATOM 0 H GLY A 82 -20.682 -16.842 15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -18.916 -18.609 16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.809 -18.844 15.189 1.00 0.00 H new ATOM 1342 N GLU A 83 -18.777 -15.730 15.992 1.00 0.00 N ATOM 1343 CA GLU A 83 -17.979 -14.483 15.896 1.00 0.00 C ATOM 1344 C GLU A 83 -16.911 -14.441 16.983 1.00 0.00 C ATOM 1345 O GLU A 83 -17.122 -15.121 17.975 1.00 0.00 O ATOM 1346 CB GLU A 83 -18.924 -13.288 16.091 1.00 0.00 C ATOM 1347 CG GLU A 83 -19.862 -13.182 14.887 1.00 0.00 C ATOM 1348 CD GLU A 83 -20.977 -12.185 15.207 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -21.871 -12.586 15.934 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -20.873 -11.077 14.704 1.00 0.00 O ATOM 1351 OXT GLU A 83 -15.942 -13.732 16.765 1.00 0.00 O ATOM 0 H GLU A 83 -19.773 -15.601 16.169 1.00 0.00 H new ATOM 0 HA GLU A 83 -17.492 -14.445 14.922 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.502 -13.413 17.007 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.348 -12.369 16.200 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.308 -12.857 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.286 -14.159 14.654 1.00 0.00 H new TER 1358 GLU A 83