USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 SER OG : rot -153:sc= -0.294 USER MOD Single : A 8 LYS NZ :NH3+ 141:sc= -0.907 (180deg=-2.19) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 14 THR OG1 : rot 105:sc= -4.12! USER MOD Single : A 15 ASN : amide:sc= -7.36! C(o=-7.4!,f=-19!) USER MOD Single : A 19 GLN : amide:sc=-0.00282 X(o=-0.0028,f=-0.48) USER MOD Single : A 20 SER OG : rot -15:sc= 0.549 USER MOD Single : A 21 MET CE :methyl -108:sc= -1.26 (180deg=-2.21!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -2.77! (180deg=-6.22!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -49:sc= -1.63! USER MOD Single : A 29 THR OG1 : rot -173:sc= 0.898 USER MOD Single : A 34 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.5!) USER MOD Single : A 36 SER OG : rot 70:sc= -0.402 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.54! C(o=-4.5!,f=-10!) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 151:sc= -0.588 (180deg=-1.87!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0446) USER MOD Single : A 74 GLN : amide:sc=-0.00034 X(o=-0.00034,f=-0.0073) USER MOD Single : A 75 HIS : no HD1:sc= -3.18 K(o=-3.2,f=-3.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 11.724 14.203 -6.347 1.00 0.00 N ATOM 2 CA LYS A 6 12.089 13.386 -5.195 1.00 0.00 C ATOM 3 C LYS A 6 10.952 12.440 -4.818 1.00 0.00 C ATOM 4 O LYS A 6 9.791 12.844 -4.754 1.00 0.00 O ATOM 5 CB LYS A 6 12.442 14.276 -4.002 1.00 0.00 C ATOM 6 CG LYS A 6 11.389 15.328 -3.694 1.00 0.00 C ATOM 7 CD LYS A 6 10.523 14.921 -2.514 1.00 0.00 C ATOM 8 CE LYS A 6 9.299 15.815 -2.385 1.00 0.00 C ATOM 9 NZ LYS A 6 8.084 15.182 -2.968 1.00 0.00 N ATOM 0 HA LYS A 6 12.961 12.790 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.585 13.649 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.392 14.772 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.876 16.279 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.761 15.483 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.207 13.885 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.110 14.971 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.122 16.039 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.489 16.765 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.272 15.823 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.242 14.992 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.887 14.288 -2.474 1.00 0.00 H new ATOM 23 N GLU A 7 11.295 11.181 -4.569 1.00 0.00 N ATOM 24 CA GLU A 7 10.310 10.179 -4.198 1.00 0.00 C ATOM 25 C GLU A 7 10.118 10.142 -2.690 1.00 0.00 C ATOM 26 O GLU A 7 10.849 10.791 -1.943 1.00 0.00 O ATOM 27 CB GLU A 7 10.755 8.800 -4.684 1.00 0.00 C ATOM 28 CG GLU A 7 10.349 8.494 -6.113 1.00 0.00 C ATOM 29 CD GLU A 7 11.135 9.300 -7.129 1.00 0.00 C ATOM 30 OE1 GLU A 7 10.905 10.524 -7.222 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.979 8.707 -7.832 1.00 0.00 O ATOM 0 H GLU A 7 12.252 10.832 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 7 9.363 10.445 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.839 8.728 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.334 8.040 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.493 7.431 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.286 8.699 -6.236 1.00 0.00 H new ATOM 38 N LYS A 8 9.145 9.358 -2.249 1.00 0.00 N ATOM 39 CA LYS A 8 8.872 9.210 -0.825 1.00 0.00 C ATOM 40 C LYS A 8 9.066 7.759 -0.409 1.00 0.00 C ATOM 41 O LYS A 8 8.548 6.845 -1.050 1.00 0.00 O ATOM 42 CB LYS A 8 7.457 9.682 -0.476 1.00 0.00 C ATOM 43 CG LYS A 8 6.375 9.139 -1.391 1.00 0.00 C ATOM 44 CD LYS A 8 5.646 7.967 -0.764 1.00 0.00 C ATOM 45 CE LYS A 8 4.183 7.940 -1.176 1.00 0.00 C ATOM 46 NZ LYS A 8 4.003 8.258 -2.621 1.00 0.00 N ATOM 0 H LYS A 8 8.531 8.814 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 8 9.574 9.837 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.231 9.388 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.431 10.771 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.662 9.931 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.820 8.827 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.127 7.035 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.719 8.030 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.766 6.955 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.624 8.657 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.257 7.652 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.731 9.256 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.895 8.087 -3.128 1.00 0.00 H new ATOM 60 N LYS A 9 9.823 7.553 0.660 1.00 0.00 N ATOM 61 CA LYS A 9 10.092 6.211 1.150 1.00 0.00 C ATOM 62 C LYS A 9 9.091 5.825 2.224 1.00 0.00 C ATOM 63 O LYS A 9 8.779 6.618 3.113 1.00 0.00 O ATOM 64 CB LYS A 9 11.521 6.118 1.695 1.00 0.00 C ATOM 65 CG LYS A 9 11.847 4.775 2.332 1.00 0.00 C ATOM 66 CD LYS A 9 11.971 4.888 3.843 1.00 0.00 C ATOM 67 CE LYS A 9 13.425 4.894 4.286 1.00 0.00 C ATOM 68 NZ LYS A 9 14.136 6.123 3.840 1.00 0.00 N ATOM 0 H LYS A 9 10.260 8.298 1.203 1.00 0.00 H new ATOM 0 HA LYS A 9 9.991 5.514 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.223 6.305 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.671 6.906 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.068 4.055 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.779 4.392 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.483 5.802 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.450 4.055 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.474 4.820 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.931 4.016 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.124 6.088 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.112 6.181 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.669 6.960 4.244 1.00 0.00 H new ATOM 82 N ILE A 10 8.575 4.611 2.125 1.00 0.00 N ATOM 83 CA ILE A 10 7.594 4.128 3.075 1.00 0.00 C ATOM 84 C ILE A 10 7.879 2.682 3.469 1.00 0.00 C ATOM 85 O ILE A 10 8.639 1.986 2.796 1.00 0.00 O ATOM 86 CB ILE A 10 6.167 4.247 2.499 1.00 0.00 C ATOM 87 CG1 ILE A 10 6.189 4.980 1.148 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.268 4.975 3.489 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.829 5.442 0.675 1.00 0.00 C ATOM 0 H ILE A 10 8.821 3.943 1.394 1.00 0.00 H new ATOM 0 HA ILE A 10 7.664 4.750 3.967 1.00 0.00 H new ATOM 0 HB ILE A 10 5.770 3.246 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.848 5.845 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.619 4.319 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.262 5.056 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.232 4.418 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.665 5.973 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.930 5.950 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.171 4.580 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.404 6.130 1.406 1.00 0.00 H new ATOM 101 N ARG A 11 7.278 2.239 4.570 1.00 0.00 N ATOM 102 CA ARG A 11 7.486 0.878 5.052 1.00 0.00 C ATOM 103 C ARG A 11 6.322 -0.029 4.671 1.00 0.00 C ATOM 104 O ARG A 11 5.179 0.418 4.571 1.00 0.00 O ATOM 105 CB ARG A 11 7.673 0.877 6.571 1.00 0.00 C ATOM 106 CG ARG A 11 7.921 -0.507 7.155 1.00 0.00 C ATOM 107 CD ARG A 11 7.708 -0.524 8.661 1.00 0.00 C ATOM 108 NE ARG A 11 8.315 0.633 9.316 1.00 0.00 N ATOM 109 CZ ARG A 11 9.612 0.728 9.599 1.00 0.00 C ATOM 110 NH1 ARG A 11 10.442 -0.260 9.286 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.082 1.815 10.196 1.00 0.00 N ATOM 0 H ARG A 11 6.646 2.800 5.142 1.00 0.00 H new ATOM 0 HA ARG A 11 8.388 0.490 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.512 1.525 6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.786 1.305 7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.252 -1.227 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.939 -0.822 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.639 -0.542 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.132 -1.438 9.076 1.00 0.00 H new ATOM 0 HE ARG A 11 7.709 1.413 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.087 -1.098 8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.435 -0.181 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.450 2.578 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.076 1.888 10.413 1.00 0.00 H new ATOM 125 N ILE A 12 6.621 -1.308 4.472 1.00 0.00 N ATOM 126 CA ILE A 12 5.606 -2.286 4.115 1.00 0.00 C ATOM 127 C ILE A 12 5.720 -3.526 4.988 1.00 0.00 C ATOM 128 O ILE A 12 6.815 -3.909 5.402 1.00 0.00 O ATOM 129 CB ILE A 12 5.716 -2.723 2.643 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.712 -1.507 1.711 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.575 -3.670 2.302 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.461 -1.739 0.413 1.00 0.00 C ATOM 0 H ILE A 12 7.563 -1.691 4.553 1.00 0.00 H new ATOM 0 HA ILE A 12 4.643 -1.800 4.271 1.00 0.00 H new ATOM 0 HB ILE A 12 6.662 -3.246 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.681 -1.237 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.156 -0.659 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.656 -3.977 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.627 -4.549 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.623 -3.163 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.418 -0.838 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.501 -1.980 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.003 -2.567 -0.128 1.00 0.00 H new ATOM 144 N THR A 13 4.587 -4.156 5.260 1.00 0.00 N ATOM 145 CA THR A 13 4.571 -5.360 6.076 1.00 0.00 C ATOM 146 C THR A 13 3.410 -6.270 5.703 1.00 0.00 C ATOM 147 O THR A 13 2.249 -5.886 5.819 1.00 0.00 O ATOM 148 CB THR A 13 4.490 -4.999 7.552 1.00 0.00 C ATOM 149 OG1 THR A 13 5.082 -3.736 7.798 1.00 0.00 O ATOM 150 CG2 THR A 13 5.180 -6.012 8.427 1.00 0.00 C ATOM 0 H THR A 13 3.670 -3.855 4.929 1.00 0.00 H new ATOM 0 HA THR A 13 5.500 -5.898 5.887 1.00 0.00 H new ATOM 0 HB THR A 13 3.428 -4.978 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.017 -3.525 8.753 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.094 -5.710 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.713 -6.988 8.292 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.233 -6.073 8.152 1.00 0.00 H new ATOM 158 N THR A 14 3.728 -7.479 5.258 1.00 0.00 N ATOM 159 CA THR A 14 2.699 -8.435 4.872 1.00 0.00 C ATOM 160 C THR A 14 2.316 -9.336 6.038 1.00 0.00 C ATOM 161 O THR A 14 3.164 -9.729 6.848 1.00 0.00 O ATOM 162 CB THR A 14 3.146 -9.280 3.682 1.00 0.00 C ATOM 163 OG1 THR A 14 3.764 -10.477 4.111 1.00 0.00 O ATOM 164 CG2 THR A 14 4.112 -8.559 2.770 1.00 0.00 C ATOM 0 H THR A 14 4.684 -7.819 5.156 1.00 0.00 H new ATOM 0 HA THR A 14 1.821 -7.861 4.577 1.00 0.00 H new ATOM 0 HB THR A 14 2.235 -9.494 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.149 -11.228 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.391 -9.214 1.945 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.638 -7.660 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.005 -8.282 3.331 1.00 0.00 H new ATOM 172 N ASN A 15 1.027 -9.652 6.101 1.00 0.00 N ATOM 173 CA ASN A 15 0.475 -10.498 7.154 1.00 0.00 C ATOM 174 C ASN A 15 1.249 -11.803 7.294 1.00 0.00 C ATOM 175 O ASN A 15 1.267 -12.406 8.367 1.00 0.00 O ATOM 176 CB ASN A 15 -0.998 -10.799 6.873 1.00 0.00 C ATOM 177 CG ASN A 15 -1.221 -11.347 5.477 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.389 -11.170 4.588 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.351 -12.015 5.276 1.00 0.00 N ATOM 0 H ASN A 15 0.335 -9.329 5.424 1.00 0.00 H new ATOM 0 HA ASN A 15 0.564 -9.951 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.365 -11.518 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.583 -9.888 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.556 -12.405 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.014 -12.138 6.042 1.00 0.00 H new ATOM 186 N ASP A 16 1.892 -12.239 6.216 1.00 0.00 N ATOM 187 CA ASP A 16 2.663 -13.476 6.254 1.00 0.00 C ATOM 188 C ASP A 16 3.742 -13.400 7.332 1.00 0.00 C ATOM 189 O ASP A 16 4.229 -14.423 7.812 1.00 0.00 O ATOM 190 CB ASP A 16 3.296 -13.764 4.893 1.00 0.00 C ATOM 191 CG ASP A 16 3.118 -15.208 4.471 1.00 0.00 C ATOM 192 OD1 ASP A 16 3.751 -16.090 5.090 1.00 0.00 O ATOM 193 OD2 ASP A 16 2.344 -15.461 3.523 1.00 0.00 O ATOM 0 H ASP A 16 1.895 -11.761 5.315 1.00 0.00 H new ATOM 0 HA ASP A 16 1.982 -14.292 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.851 -13.111 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.359 -13.527 4.932 1.00 0.00 H new ATOM 198 N GLY A 17 4.108 -12.177 7.704 1.00 0.00 N ATOM 199 CA GLY A 17 5.122 -11.980 8.719 1.00 0.00 C ATOM 200 C GLY A 17 6.394 -11.398 8.144 1.00 0.00 C ATOM 201 O GLY A 17 7.487 -11.657 8.647 1.00 0.00 O ATOM 0 H GLY A 17 3.718 -11.317 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.737 -11.316 9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.344 -12.933 9.199 1.00 0.00 H new ATOM 205 N ARG A 18 6.253 -10.618 7.077 1.00 0.00 N ATOM 206 CA ARG A 18 7.407 -10.009 6.426 1.00 0.00 C ATOM 207 C ARG A 18 7.205 -8.511 6.225 1.00 0.00 C ATOM 208 O ARG A 18 6.074 -8.030 6.172 1.00 0.00 O ATOM 209 CB ARG A 18 7.653 -10.684 5.079 1.00 0.00 C ATOM 210 CG ARG A 18 6.468 -10.593 4.143 1.00 0.00 C ATOM 211 CD ARG A 18 6.746 -11.304 2.834 1.00 0.00 C ATOM 212 NE ARG A 18 6.465 -12.731 2.927 1.00 0.00 N ATOM 213 CZ ARG A 18 5.311 -13.285 2.566 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.289 -12.525 2.193 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.167 -14.602 2.611 1.00 0.00 N ATOM 0 H ARG A 18 5.356 -10.394 6.647 1.00 0.00 H new ATOM 0 HA ARG A 18 8.274 -10.148 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.520 -10.226 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.898 -11.733 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.591 -11.032 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.235 -9.546 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.138 -10.864 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.789 -11.156 2.553 1.00 0.00 H new ATOM 0 HE ARG A 18 7.197 -13.341 3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.386 -11.510 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.407 -12.956 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.941 -15.189 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.282 -15.028 2.334 1.00 0.00 H new ATOM 229 N GLN A 19 8.311 -7.780 6.109 1.00 0.00 N ATOM 230 CA GLN A 19 8.256 -6.335 5.907 1.00 0.00 C ATOM 231 C GLN A 19 9.395 -5.861 5.012 1.00 0.00 C ATOM 232 O GLN A 19 10.437 -6.509 4.917 1.00 0.00 O ATOM 233 CB GLN A 19 8.308 -5.589 7.248 1.00 0.00 C ATOM 234 CG GLN A 19 8.867 -6.414 8.397 1.00 0.00 C ATOM 235 CD GLN A 19 9.158 -5.576 9.627 1.00 0.00 C ATOM 236 OE1 GLN A 19 9.691 -4.471 9.528 1.00 0.00 O ATOM 237 NE2 GLN A 19 8.809 -6.100 10.796 1.00 0.00 N ATOM 0 H GLN A 19 9.255 -8.164 6.151 1.00 0.00 H new ATOM 0 HA GLN A 19 7.309 -6.112 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.916 -4.692 7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.302 -5.260 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.156 -7.199 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.783 -6.908 8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.369 -7.020 10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.980 -5.583 11.658 1.00 0.00 H new ATOM 246 N SER A 20 9.184 -4.722 4.362 1.00 0.00 N ATOM 247 CA SER A 20 10.187 -4.148 3.476 1.00 0.00 C ATOM 248 C SER A 20 9.954 -2.652 3.303 1.00 0.00 C ATOM 249 O SER A 20 9.001 -2.095 3.847 1.00 0.00 O ATOM 250 CB SER A 20 10.155 -4.844 2.114 1.00 0.00 C ATOM 251 OG SER A 20 10.332 -6.243 2.252 1.00 0.00 O ATOM 0 H SER A 20 8.324 -4.177 4.433 1.00 0.00 H new ATOM 0 HA SER A 20 11.168 -4.299 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.204 -4.641 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.939 -4.436 1.475 1.00 0.00 H new ATOM 0 HG SER A 20 10.670 -6.443 3.150 1.00 0.00 H new ATOM 257 N MET A 21 10.827 -2.005 2.541 1.00 0.00 N ATOM 258 CA MET A 21 10.713 -0.574 2.297 1.00 0.00 C ATOM 259 C MET A 21 10.711 -0.275 0.808 1.00 0.00 C ATOM 260 O MET A 21 11.200 -1.064 0.001 1.00 0.00 O ATOM 261 CB MET A 21 11.849 0.185 2.992 1.00 0.00 C ATOM 262 CG MET A 21 13.207 0.011 2.326 1.00 0.00 C ATOM 263 SD MET A 21 13.987 -1.562 2.734 1.00 0.00 S ATOM 264 CE MET A 21 13.853 -2.420 1.166 1.00 0.00 C ATOM 0 H MET A 21 11.622 -2.449 2.081 1.00 0.00 H new ATOM 0 HA MET A 21 9.764 -0.237 2.714 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.601 1.246 3.017 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.917 -0.151 4.027 1.00 0.00 H new ATOM 0 HG2 MET A 21 13.089 0.083 1.245 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.863 0.827 2.630 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.103 -3.207 1.245 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.558 -1.714 0.389 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.816 -2.861 0.909 1.00 0.00 H new ATOM 274 N VAL A 22 10.147 0.870 0.452 1.00 0.00 N ATOM 275 CA VAL A 22 10.065 1.277 -0.937 1.00 0.00 C ATOM 276 C VAL A 22 10.240 2.780 -1.084 1.00 0.00 C ATOM 277 O VAL A 22 10.269 3.511 -0.094 1.00 0.00 O ATOM 278 CB VAL A 22 8.714 0.880 -1.550 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.636 -0.624 -1.746 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.570 1.376 -0.680 1.00 0.00 C ATOM 0 H VAL A 22 9.739 1.533 1.111 1.00 0.00 H new ATOM 0 HA VAL A 22 10.871 0.765 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 22 8.626 1.351 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.671 -0.885 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.435 -0.946 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.746 -1.123 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.620 1.086 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.651 0.936 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.618 2.462 -0.601 1.00 0.00 H new ATOM 290 N THR A 23 10.341 3.232 -2.326 1.00 0.00 N ATOM 291 CA THR A 23 10.495 4.649 -2.621 1.00 0.00 C ATOM 292 C THR A 23 9.299 5.142 -3.428 1.00 0.00 C ATOM 293 O THR A 23 9.455 5.874 -4.405 1.00 0.00 O ATOM 294 CB THR A 23 11.795 4.893 -3.397 1.00 0.00 C ATOM 295 OG1 THR A 23 12.170 6.257 -3.332 1.00 0.00 O ATOM 296 CG2 THR A 23 11.701 4.512 -4.861 1.00 0.00 C ATOM 0 H THR A 23 10.319 2.633 -3.151 1.00 0.00 H new ATOM 0 HA THR A 23 10.543 5.202 -1.683 1.00 0.00 H new ATOM 0 HB THR A 23 12.539 4.255 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.002 6.392 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.655 4.710 -5.350 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.463 3.452 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.918 5.100 -5.340 1.00 0.00 H new ATOM 304 N LEU A 24 8.106 4.716 -3.014 1.00 0.00 N ATOM 305 CA LEU A 24 6.860 5.082 -3.691 1.00 0.00 C ATOM 306 C LEU A 24 6.954 6.457 -4.344 1.00 0.00 C ATOM 307 O LEU A 24 7.466 7.402 -3.747 1.00 0.00 O ATOM 308 CB LEU A 24 5.689 5.051 -2.705 1.00 0.00 C ATOM 309 CG LEU A 24 4.484 4.226 -3.159 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.911 2.815 -3.529 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.420 4.196 -2.073 1.00 0.00 C ATOM 0 H LEU A 24 7.975 4.110 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 24 6.688 4.348 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.045 4.654 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.361 6.074 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 24 4.058 4.697 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.040 2.243 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.637 2.856 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.363 2.332 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.570 3.605 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.835 3.749 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.092 5.213 -1.857 1.00 0.00 H new ATOM 323 N LYS A 25 6.464 6.560 -5.573 1.00 0.00 N ATOM 324 CA LYS A 25 6.505 7.820 -6.296 1.00 0.00 C ATOM 325 C LYS A 25 5.561 8.816 -5.650 1.00 0.00 C ATOM 326 O LYS A 25 4.452 8.466 -5.248 1.00 0.00 O ATOM 327 CB LYS A 25 6.146 7.622 -7.771 1.00 0.00 C ATOM 328 CG LYS A 25 7.273 7.015 -8.589 1.00 0.00 C ATOM 329 CD LYS A 25 7.615 5.617 -8.108 1.00 0.00 C ATOM 330 CE LYS A 25 8.612 5.661 -6.964 1.00 0.00 C ATOM 331 NZ LYS A 25 9.910 5.031 -7.334 1.00 0.00 N ATOM 0 H LYS A 25 6.036 5.789 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 25 7.522 8.210 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.269 6.979 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.871 8.584 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.984 6.980 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.156 7.651 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.707 5.108 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.028 5.036 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.782 6.697 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.194 5.148 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.031 4.146 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.918 4.825 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.689 5.681 -7.106 1.00 0.00 H new ATOM 345 N SER A 26 6.015 10.055 -5.532 1.00 0.00 N ATOM 346 CA SER A 26 5.215 11.099 -4.912 1.00 0.00 C ATOM 347 C SER A 26 3.783 11.094 -5.446 1.00 0.00 C ATOM 348 O SER A 26 2.848 11.486 -4.748 1.00 0.00 O ATOM 349 CB SER A 26 5.856 12.469 -5.137 1.00 0.00 C ATOM 350 OG SER A 26 7.268 12.394 -5.038 1.00 0.00 O ATOM 0 H SER A 26 6.932 10.361 -5.857 1.00 0.00 H new ATOM 0 HA SER A 26 5.177 10.896 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.577 12.847 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.474 13.178 -4.402 1.00 0.00 H new ATOM 0 HG SER A 26 7.623 13.262 -4.753 1.00 0.00 H new ATOM 356 N SER A 27 3.619 10.641 -6.686 1.00 0.00 N ATOM 357 CA SER A 27 2.303 10.579 -7.311 1.00 0.00 C ATOM 358 C SER A 27 1.903 9.132 -7.588 1.00 0.00 C ATOM 359 O SER A 27 1.458 8.797 -8.687 1.00 0.00 O ATOM 360 CB SER A 27 2.296 11.382 -8.614 1.00 0.00 C ATOM 361 OG SER A 27 3.339 12.343 -8.627 1.00 0.00 O ATOM 0 H SER A 27 4.382 10.312 -7.277 1.00 0.00 H new ATOM 0 HA SER A 27 1.578 11.013 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.409 10.706 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.335 11.882 -8.731 1.00 0.00 H new ATOM 0 HG SER A 27 3.314 12.841 -9.470 1.00 0.00 H new ATOM 367 N THR A 28 2.068 8.275 -6.584 1.00 0.00 N ATOM 368 CA THR A 28 1.728 6.861 -6.719 1.00 0.00 C ATOM 369 C THR A 28 0.306 6.590 -6.239 1.00 0.00 C ATOM 370 O THR A 28 0.005 6.727 -5.055 1.00 0.00 O ATOM 371 CB THR A 28 2.716 5.999 -5.924 1.00 0.00 C ATOM 372 OG1 THR A 28 3.956 5.906 -6.598 1.00 0.00 O ATOM 373 CG2 THR A 28 2.228 4.584 -5.677 1.00 0.00 C ATOM 0 H THR A 28 2.435 8.535 -5.668 1.00 0.00 H new ATOM 0 HA THR A 28 1.791 6.600 -7.776 1.00 0.00 H new ATOM 0 HB THR A 28 2.819 6.503 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.802 5.666 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.979 4.034 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.296 4.614 -5.112 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.058 4.086 -6.632 1.00 0.00 H new ATOM 381 N THR A 29 -0.557 6.179 -7.161 1.00 0.00 N ATOM 382 CA THR A 29 -1.938 5.864 -6.820 1.00 0.00 C ATOM 383 C THR A 29 -2.032 4.430 -6.306 1.00 0.00 C ATOM 384 O THR A 29 -1.044 3.696 -6.323 1.00 0.00 O ATOM 385 CB THR A 29 -2.850 6.055 -8.035 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.184 5.684 -7.725 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.417 5.258 -9.247 1.00 0.00 C ATOM 0 H THR A 29 -0.325 6.057 -8.147 1.00 0.00 H new ATOM 0 HA THR A 29 -2.268 6.544 -6.035 1.00 0.00 H new ATOM 0 HB THR A 29 -2.782 7.115 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.728 5.706 -8.540 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.108 5.442 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.413 5.562 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.418 4.196 -9.003 1.00 0.00 H new ATOM 395 N PHE A 30 -3.214 4.036 -5.844 1.00 0.00 N ATOM 396 CA PHE A 30 -3.415 2.686 -5.321 1.00 0.00 C ATOM 397 C PHE A 30 -2.815 1.634 -6.253 1.00 0.00 C ATOM 398 O PHE A 30 -2.172 0.687 -5.803 1.00 0.00 O ATOM 399 CB PHE A 30 -4.906 2.406 -5.117 1.00 0.00 C ATOM 400 CG PHE A 30 -5.188 1.026 -4.595 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.899 0.695 -3.281 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.739 0.058 -5.420 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.153 -0.575 -2.800 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.996 -1.213 -4.944 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.704 -1.530 -3.632 1.00 0.00 C ATOM 0 H PHE A 30 -4.045 4.628 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.904 2.626 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.314 3.140 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.427 2.541 -6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.470 1.438 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.970 0.300 -6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.921 -0.821 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.425 -1.958 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.906 -2.523 -3.257 1.00 0.00 H new ATOM 415 N PHE A 31 -3.031 1.810 -7.553 1.00 0.00 N ATOM 416 CA PHE A 31 -2.510 0.876 -8.545 1.00 0.00 C ATOM 417 C PHE A 31 -0.984 0.880 -8.542 1.00 0.00 C ATOM 418 O PHE A 31 -0.352 -0.174 -8.482 1.00 0.00 O ATOM 419 CB PHE A 31 -3.031 1.234 -9.937 1.00 0.00 C ATOM 420 CG PHE A 31 -4.531 1.278 -10.028 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.307 0.325 -9.386 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.165 2.273 -10.754 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.686 0.365 -9.468 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.544 2.318 -10.840 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.306 1.363 -10.196 1.00 0.00 C ATOM 0 H PHE A 31 -3.562 2.589 -7.943 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.855 -0.125 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.630 2.205 -10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.653 0.506 -10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.828 -0.457 -8.816 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.575 3.023 -11.259 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.279 -0.383 -8.963 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.025 3.099 -11.410 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.384 1.396 -10.261 1.00 0.00 H new ATOM 435 N GLU A 32 -0.400 2.071 -8.607 1.00 0.00 N ATOM 436 CA GLU A 32 1.051 2.213 -8.610 1.00 0.00 C ATOM 437 C GLU A 32 1.656 1.632 -7.337 1.00 0.00 C ATOM 438 O GLU A 32 2.762 1.093 -7.352 1.00 0.00 O ATOM 439 CB GLU A 32 1.440 3.685 -8.749 1.00 0.00 C ATOM 440 CG GLU A 32 1.497 4.167 -10.188 1.00 0.00 C ATOM 441 CD GLU A 32 2.296 5.446 -10.344 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.302 5.609 -9.622 1.00 0.00 O ATOM 443 OE2 GLU A 32 1.915 6.285 -11.188 1.00 0.00 O ATOM 0 H GLU A 32 -0.910 2.953 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 32 1.444 1.660 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.723 4.295 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.414 3.840 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.939 3.389 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.483 4.330 -10.553 1.00 0.00 H new ATOM 450 N LEU A 33 0.921 1.744 -6.235 1.00 0.00 N ATOM 451 CA LEU A 33 1.382 1.228 -4.951 1.00 0.00 C ATOM 452 C LEU A 33 1.362 -0.298 -4.945 1.00 0.00 C ATOM 453 O LEU A 33 2.294 -0.939 -4.460 1.00 0.00 O ATOM 454 CB LEU A 33 0.510 1.777 -3.817 1.00 0.00 C ATOM 455 CG LEU A 33 0.672 1.081 -2.462 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.140 0.970 -2.083 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.102 1.826 -1.385 1.00 0.00 C ATOM 0 H LEU A 33 0.003 2.188 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 33 2.409 1.557 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.734 2.836 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.535 1.706 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 33 0.266 0.073 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.230 0.473 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.668 0.391 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.576 1.967 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.024 1.318 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.274 2.846 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.160 1.849 -1.647 1.00 0.00 H new ATOM 469 N GLN A 34 0.295 -0.872 -5.490 1.00 0.00 N ATOM 470 CA GLN A 34 0.156 -2.323 -5.549 1.00 0.00 C ATOM 471 C GLN A 34 1.296 -2.945 -6.350 1.00 0.00 C ATOM 472 O GLN A 34 1.692 -4.084 -6.104 1.00 0.00 O ATOM 473 CB GLN A 34 -1.187 -2.703 -6.174 1.00 0.00 C ATOM 474 CG GLN A 34 -2.388 -2.250 -5.359 1.00 0.00 C ATOM 475 CD GLN A 34 -3.017 -3.383 -4.571 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.223 -3.617 -4.655 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.201 -4.092 -3.800 1.00 0.00 N ATOM 0 H GLN A 34 -0.485 -0.356 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 34 0.197 -2.709 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.250 -2.268 -7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.228 -3.785 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.080 -1.461 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.134 -1.818 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.208 -3.862 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.567 -4.866 -3.246 1.00 0.00 H new ATOM 486 N GLU A 35 1.820 -2.188 -7.310 1.00 0.00 N ATOM 487 CA GLU A 35 2.914 -2.662 -8.148 1.00 0.00 C ATOM 488 C GLU A 35 4.249 -2.569 -7.414 1.00 0.00 C ATOM 489 O GLU A 35 5.189 -3.300 -7.722 1.00 0.00 O ATOM 490 CB GLU A 35 2.976 -1.854 -9.445 1.00 0.00 C ATOM 491 CG GLU A 35 4.070 -2.312 -10.396 1.00 0.00 C ATOM 492 CD GLU A 35 3.575 -2.479 -11.819 1.00 0.00 C ATOM 493 OE1 GLU A 35 3.157 -1.470 -12.425 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.606 -3.620 -12.328 1.00 0.00 O ATOM 0 H GLU A 35 1.503 -1.243 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 35 2.726 -3.709 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.014 -1.922 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.134 -0.803 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.885 -1.588 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.479 -3.259 -10.044 1.00 0.00 H new ATOM 501 N SER A 36 4.326 -1.664 -6.441 1.00 0.00 N ATOM 502 CA SER A 36 5.545 -1.479 -5.665 1.00 0.00 C ATOM 503 C SER A 36 5.768 -2.654 -4.721 1.00 0.00 C ATOM 504 O SER A 36 6.838 -3.262 -4.711 1.00 0.00 O ATOM 505 CB SER A 36 5.477 -0.175 -4.869 1.00 0.00 C ATOM 506 OG SER A 36 5.454 0.949 -5.732 1.00 0.00 O ATOM 0 H SER A 36 3.558 -1.049 -6.173 1.00 0.00 H new ATOM 0 HA SER A 36 6.384 -1.427 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.585 -0.174 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.336 -0.107 -4.202 1.00 0.00 H new ATOM 0 HG SER A 36 4.594 0.985 -6.200 1.00 0.00 H new ATOM 512 N ILE A 37 4.747 -2.973 -3.932 1.00 0.00 N ATOM 513 CA ILE A 37 4.831 -4.081 -2.989 1.00 0.00 C ATOM 514 C ILE A 37 5.124 -5.386 -3.717 1.00 0.00 C ATOM 515 O ILE A 37 5.882 -6.225 -3.230 1.00 0.00 O ATOM 516 CB ILE A 37 3.529 -4.239 -2.183 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.110 -2.899 -1.573 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.702 -5.294 -1.101 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.672 -2.529 -1.864 1.00 0.00 C ATOM 0 H ILE A 37 3.854 -2.481 -3.927 1.00 0.00 H new ATOM 0 HA ILE A 37 5.645 -3.853 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 37 2.739 -4.567 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.256 -2.938 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.763 -2.114 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.773 -5.395 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.953 -6.250 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.504 -4.995 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.443 -1.569 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.526 -2.457 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.010 -3.294 -1.458 1.00 0.00 H new ATOM 531 N ALA A 38 4.523 -5.545 -4.891 1.00 0.00 N ATOM 532 CA ALA A 38 4.725 -6.744 -5.692 1.00 0.00 C ATOM 533 C ALA A 38 6.203 -6.941 -6.018 1.00 0.00 C ATOM 534 O ALA A 38 6.630 -8.042 -6.365 1.00 0.00 O ATOM 535 CB ALA A 38 3.902 -6.669 -6.970 1.00 0.00 C ATOM 0 H ALA A 38 3.893 -4.859 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 38 4.391 -7.603 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.062 -7.572 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.845 -6.583 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.208 -5.798 -7.549 1.00 0.00 H new ATOM 541 N ARG A 39 6.984 -5.868 -5.895 1.00 0.00 N ATOM 542 CA ARG A 39 8.414 -5.931 -6.169 1.00 0.00 C ATOM 543 C ARG A 39 9.186 -6.258 -4.898 1.00 0.00 C ATOM 544 O ARG A 39 9.978 -7.200 -4.862 1.00 0.00 O ATOM 545 CB ARG A 39 8.908 -4.603 -6.747 1.00 0.00 C ATOM 546 CG ARG A 39 7.930 -3.955 -7.713 1.00 0.00 C ATOM 547 CD ARG A 39 8.650 -3.278 -8.868 1.00 0.00 C ATOM 548 NE ARG A 39 8.130 -3.708 -10.164 1.00 0.00 N ATOM 549 CZ ARG A 39 8.802 -3.592 -11.308 1.00 0.00 C ATOM 550 NH1 ARG A 39 10.017 -3.059 -11.322 1.00 0.00 N ATOM 551 NH2 ARG A 39 8.256 -4.012 -12.442 1.00 0.00 N ATOM 0 H ARG A 39 6.649 -4.948 -5.608 1.00 0.00 H new ATOM 0 HA ARG A 39 8.586 -6.721 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.107 -3.912 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.855 -4.770 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.247 -4.710 -8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.324 -3.221 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.546 -2.197 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.715 -3.502 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 39 7.198 -4.121 -10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.442 -2.735 -10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.526 -2.973 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.323 -4.423 -12.437 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.770 -3.924 -13.319 1.00 0.00 H new ATOM 565 N GLU A 40 8.946 -5.469 -3.858 1.00 0.00 N ATOM 566 CA GLU A 40 9.614 -5.664 -2.577 1.00 0.00 C ATOM 567 C GLU A 40 9.243 -7.011 -1.962 1.00 0.00 C ATOM 568 O GLU A 40 9.998 -7.568 -1.165 1.00 0.00 O ATOM 569 CB GLU A 40 9.252 -4.531 -1.614 1.00 0.00 C ATOM 570 CG GLU A 40 10.330 -3.465 -1.494 1.00 0.00 C ATOM 571 CD GLU A 40 10.820 -2.973 -2.841 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.985 -2.819 -3.757 1.00 0.00 O ATOM 573 OE2 GLU A 40 12.039 -2.740 -2.982 1.00 0.00 O ATOM 0 H GLU A 40 8.292 -4.686 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 40 10.690 -5.654 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.326 -4.063 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.058 -4.952 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.939 -2.622 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.172 -3.868 -0.931 1.00 0.00 H new ATOM 580 N PHE A 41 8.077 -7.528 -2.334 1.00 0.00 N ATOM 581 CA PHE A 41 7.609 -8.807 -1.813 1.00 0.00 C ATOM 582 C PHE A 41 7.289 -9.775 -2.948 1.00 0.00 C ATOM 583 O PHE A 41 7.590 -9.503 -4.110 1.00 0.00 O ATOM 584 CB PHE A 41 6.380 -8.595 -0.929 1.00 0.00 C ATOM 585 CG PHE A 41 6.619 -7.618 0.186 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.579 -6.252 -0.050 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.889 -8.064 1.470 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.804 -5.351 0.973 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.114 -7.167 2.497 1.00 0.00 C ATOM 590 CZ PHE A 41 7.071 -5.810 2.248 1.00 0.00 C ATOM 0 H PHE A 41 7.439 -7.082 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 41 8.405 -9.245 -1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.554 -8.240 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.074 -9.552 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.370 -5.888 -1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.924 -9.125 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.771 -4.290 0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.323 -7.527 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.246 -5.108 3.050 1.00 0.00 H new ATOM 600 N ASN A 42 6.686 -10.910 -2.604 1.00 0.00 N ATOM 601 CA ASN A 42 6.337 -11.919 -3.598 1.00 0.00 C ATOM 602 C ASN A 42 4.824 -12.093 -3.706 1.00 0.00 C ATOM 603 O ASN A 42 4.312 -13.211 -3.650 1.00 0.00 O ATOM 604 CB ASN A 42 6.993 -13.256 -3.245 1.00 0.00 C ATOM 605 CG ASN A 42 8.469 -13.112 -2.930 1.00 0.00 C ATOM 606 OD1 ASN A 42 8.897 -13.323 -1.797 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.255 -12.748 -3.937 1.00 0.00 N ATOM 0 H ASN A 42 6.430 -11.153 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 42 6.708 -11.579 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.482 -13.692 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.868 -13.949 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.257 -12.633 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.856 -12.583 -4.861 1.00 0.00 H new ATOM 614 N ILE A 43 4.115 -10.982 -3.871 1.00 0.00 N ATOM 615 CA ILE A 43 2.664 -11.016 -3.997 1.00 0.00 C ATOM 616 C ILE A 43 2.191 -10.075 -5.102 1.00 0.00 C ATOM 617 O ILE A 43 2.653 -8.939 -5.201 1.00 0.00 O ATOM 618 CB ILE A 43 1.970 -10.634 -2.676 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.527 -11.468 -1.523 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.464 -10.823 -2.793 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.527 -10.723 -0.671 1.00 0.00 C ATOM 0 H ILE A 43 4.522 -10.048 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 43 2.392 -12.041 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 43 2.170 -9.582 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.702 -11.801 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.001 -12.363 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.011 -10.549 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.079 -10.189 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.245 -11.866 -3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.881 -11.374 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.371 -10.413 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.052 -9.843 -0.238 1.00 0.00 H new ATOM 633 N PRO A 44 1.263 -10.539 -5.954 1.00 0.00 N ATOM 634 CA PRO A 44 0.733 -9.734 -7.059 1.00 0.00 C ATOM 635 C PRO A 44 -0.164 -8.598 -6.573 1.00 0.00 C ATOM 636 O PRO A 44 -0.600 -8.588 -5.422 1.00 0.00 O ATOM 637 CB PRO A 44 -0.072 -10.741 -7.880 1.00 0.00 C ATOM 638 CG PRO A 44 -0.461 -11.801 -6.907 1.00 0.00 C ATOM 639 CD PRO A 44 0.661 -11.882 -5.908 1.00 0.00 C ATOM 0 HA PRO A 44 1.527 -9.245 -7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.949 -10.275 -8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.523 -11.152 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.402 -11.553 -6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.605 -12.757 -7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.293 -12.123 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.382 -12.654 -6.177 1.00 0.00 H new ATOM 647 N PRO A 45 -0.450 -7.620 -7.449 1.00 0.00 N ATOM 648 CA PRO A 45 -1.296 -6.470 -7.104 1.00 0.00 C ATOM 649 C PRO A 45 -2.742 -6.866 -6.816 1.00 0.00 C ATOM 650 O PRO A 45 -3.485 -6.110 -6.189 1.00 0.00 O ATOM 651 CB PRO A 45 -1.225 -5.583 -8.351 1.00 0.00 C ATOM 652 CG PRO A 45 -0.851 -6.507 -9.459 1.00 0.00 C ATOM 653 CD PRO A 45 0.031 -7.553 -8.841 1.00 0.00 C ATOM 0 HA PRO A 45 -0.952 -5.979 -6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.182 -5.099 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.486 -4.791 -8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.736 -6.958 -9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.328 -5.974 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.067 -8.513 -9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.083 -7.273 -8.890 1.00 0.00 H new ATOM 661 N TYR A 46 -3.141 -8.049 -7.277 1.00 0.00 N ATOM 662 CA TYR A 46 -4.504 -8.525 -7.061 1.00 0.00 C ATOM 663 C TYR A 46 -4.595 -9.434 -5.834 1.00 0.00 C ATOM 664 O TYR A 46 -5.633 -10.048 -5.584 1.00 0.00 O ATOM 665 CB TYR A 46 -5.018 -9.260 -8.303 1.00 0.00 C ATOM 666 CG TYR A 46 -4.311 -10.567 -8.579 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.147 -10.602 -9.337 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.808 -11.766 -8.086 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.499 -11.795 -9.595 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.166 -12.963 -8.339 1.00 0.00 C ATOM 671 CZ TYR A 46 -3.012 -12.973 -9.093 1.00 0.00 C ATOM 672 OH TYR A 46 -2.369 -14.162 -9.347 1.00 0.00 O ATOM 0 H TYR A 46 -2.545 -8.691 -7.799 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.132 -7.653 -6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.084 -9.453 -8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.908 -8.609 -9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.742 -9.682 -9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.712 -11.763 -7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.596 -11.805 -10.187 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.566 -13.887 -7.948 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.859 -14.896 -8.921 1.00 0.00 H new ATOM 682 N LEU A 47 -3.511 -9.510 -5.064 1.00 0.00 N ATOM 683 CA LEU A 47 -3.482 -10.338 -3.860 1.00 0.00 C ATOM 684 C LEU A 47 -2.882 -9.578 -2.679 1.00 0.00 C ATOM 685 O LEU A 47 -2.678 -10.150 -1.609 1.00 0.00 O ATOM 686 CB LEU A 47 -2.674 -11.613 -4.107 1.00 0.00 C ATOM 687 CG LEU A 47 -3.284 -12.593 -5.108 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.316 -13.730 -5.392 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.604 -13.140 -4.586 1.00 0.00 C ATOM 0 H LEU A 47 -2.643 -9.009 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.512 -10.601 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.682 -11.331 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.540 -12.128 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.477 -12.059 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.765 -14.420 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.393 -13.327 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.095 -14.260 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.022 -13.836 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.435 -13.659 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.302 -12.318 -4.428 1.00 0.00 H new ATOM 701 N GLN A 48 -2.590 -8.294 -2.873 1.00 0.00 N ATOM 702 CA GLN A 48 -2.004 -7.484 -1.814 1.00 0.00 C ATOM 703 C GLN A 48 -2.998 -6.462 -1.274 1.00 0.00 C ATOM 704 O GLN A 48 -3.358 -5.506 -1.962 1.00 0.00 O ATOM 705 CB GLN A 48 -0.754 -6.768 -2.328 1.00 0.00 C ATOM 706 CG GLN A 48 0.398 -7.709 -2.638 1.00 0.00 C ATOM 707 CD GLN A 48 1.589 -6.998 -3.253 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.726 -7.178 -2.818 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.335 -6.188 -4.275 1.00 0.00 N ATOM 0 H GLN A 48 -2.749 -7.797 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.731 -8.154 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.009 -6.209 -3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.429 -6.041 -1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.712 -8.206 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.053 -8.486 -3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.377 -6.067 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.098 -5.687 -4.730 1.00 0.00 H new ATOM 718 N CYS A 49 -3.420 -6.658 -0.030 1.00 0.00 N ATOM 719 CA CYS A 49 -4.350 -5.742 0.615 1.00 0.00 C ATOM 720 C CYS A 49 -3.582 -4.822 1.555 1.00 0.00 C ATOM 721 O CYS A 49 -3.118 -5.247 2.613 1.00 0.00 O ATOM 722 CB CYS A 49 -5.425 -6.520 1.380 1.00 0.00 C ATOM 723 SG CYS A 49 -6.542 -5.482 2.354 1.00 0.00 S ATOM 0 H CYS A 49 -3.132 -7.445 0.552 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.848 -5.140 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.014 -7.099 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.937 -7.233 2.045 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.414 -6.232 2.960 1.00 0.00 H new ATOM 729 N ILE A 50 -3.427 -3.566 1.146 1.00 0.00 N ATOM 730 CA ILE A 50 -2.686 -2.584 1.930 1.00 0.00 C ATOM 731 C ILE A 50 -3.493 -2.062 3.114 1.00 0.00 C ATOM 732 O ILE A 50 -4.724 -2.071 3.101 1.00 0.00 O ATOM 733 CB ILE A 50 -2.250 -1.390 1.057 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.525 -1.883 -0.196 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.359 -0.446 1.853 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.819 -1.057 -1.429 1.00 0.00 C ATOM 0 H ILE A 50 -3.807 -3.203 0.272 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.806 -3.101 2.312 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.141 -0.843 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.451 -1.875 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.808 -2.918 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.060 0.391 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.907 -0.071 2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.471 -0.981 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.271 -1.464 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.888 -1.085 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.510 -0.026 -1.258 1.00 0.00 H new ATOM 748 N ARG A 51 -2.775 -1.601 4.134 1.00 0.00 N ATOM 749 CA ARG A 51 -3.392 -1.061 5.337 1.00 0.00 C ATOM 750 C ARG A 51 -2.518 0.041 5.930 1.00 0.00 C ATOM 751 O ARG A 51 -1.290 -0.041 5.885 1.00 0.00 O ATOM 752 CB ARG A 51 -3.609 -2.169 6.366 1.00 0.00 C ATOM 753 CG ARG A 51 -4.387 -3.357 5.825 1.00 0.00 C ATOM 754 CD ARG A 51 -5.103 -4.104 6.936 1.00 0.00 C ATOM 755 NE ARG A 51 -5.874 -5.236 6.428 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.556 -6.077 7.204 1.00 0.00 C ATOM 757 NH1 ARG A 51 -6.563 -5.917 8.522 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.232 -7.079 6.660 1.00 0.00 N ATOM 0 H ARG A 51 -1.755 -1.592 4.149 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.360 -0.637 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.640 -2.514 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.140 -1.758 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.114 -3.013 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.707 -4.034 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.372 -4.460 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.768 -3.420 7.462 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.891 -5.392 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.045 -5.147 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.087 -6.564 9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.230 -7.206 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.754 -7.723 7.253 1.00 0.00 H new ATOM 772 N TYR A 52 -3.151 1.072 6.481 1.00 0.00 N ATOM 773 CA TYR A 52 -2.413 2.183 7.071 1.00 0.00 C ATOM 774 C TYR A 52 -3.138 2.741 8.293 1.00 0.00 C ATOM 775 O TYR A 52 -4.361 2.649 8.399 1.00 0.00 O ATOM 776 CB TYR A 52 -2.208 3.292 6.038 1.00 0.00 C ATOM 777 CG TYR A 52 -3.497 3.921 5.559 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.359 3.229 4.717 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.850 5.207 5.947 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.537 3.800 4.276 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.027 5.785 5.511 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.867 5.078 4.676 1.00 0.00 C ATOM 783 OH TYR A 52 -7.039 5.650 4.240 1.00 0.00 O ATOM 0 H TYR A 52 -4.166 1.161 6.531 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.442 1.806 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.575 4.067 6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.673 2.884 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.104 2.228 4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.194 5.764 6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.196 3.249 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.288 6.786 5.823 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.122 6.552 4.614 1.00 0.00 H new ATOM 793 N GLY A 53 -2.371 3.321 9.210 1.00 0.00 N ATOM 794 CA GLY A 53 -2.952 3.891 10.412 1.00 0.00 C ATOM 795 C GLY A 53 -3.302 2.841 11.448 1.00 0.00 C ATOM 796 O GLY A 53 -3.407 1.657 11.131 1.00 0.00 O ATOM 0 H GLY A 53 -1.357 3.407 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.251 4.604 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.851 4.448 10.147 1.00 0.00 H new ATOM 800 N PHE A 54 -3.484 3.278 12.690 1.00 0.00 N ATOM 801 CA PHE A 54 -3.827 2.372 13.780 1.00 0.00 C ATOM 802 C PHE A 54 -5.231 2.679 14.311 1.00 0.00 C ATOM 803 O PHE A 54 -5.486 3.782 14.795 1.00 0.00 O ATOM 804 CB PHE A 54 -2.802 2.494 14.911 1.00 0.00 C ATOM 805 CG PHE A 54 -2.080 1.211 15.207 1.00 0.00 C ATOM 806 CD1 PHE A 54 -2.750 0.137 15.770 1.00 0.00 C ATOM 807 CD2 PHE A 54 -0.730 1.078 14.922 1.00 0.00 C ATOM 808 CE1 PHE A 54 -2.089 -1.046 16.043 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.063 -0.102 15.193 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.743 -1.165 15.754 1.00 0.00 C ATOM 0 H PHE A 54 -3.399 4.256 12.967 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.814 1.351 13.398 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.072 3.260 14.648 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.309 2.833 15.815 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.802 0.225 15.998 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.193 1.906 14.483 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.624 -1.876 16.481 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.989 -0.193 14.966 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.224 -2.088 15.966 1.00 0.00 H new ATOM 820 N PRO A 55 -6.168 1.712 14.231 1.00 0.00 N ATOM 821 CA PRO A 55 -5.915 0.379 13.662 1.00 0.00 C ATOM 822 C PRO A 55 -5.647 0.428 12.159 1.00 0.00 C ATOM 823 O PRO A 55 -5.849 1.458 11.516 1.00 0.00 O ATOM 824 CB PRO A 55 -7.211 -0.385 13.949 1.00 0.00 C ATOM 825 CG PRO A 55 -8.251 0.669 14.088 1.00 0.00 C ATOM 826 CD PRO A 55 -7.558 1.855 14.696 1.00 0.00 C ATOM 0 HA PRO A 55 -5.027 -0.084 14.094 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.452 -1.074 13.139 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.126 -0.980 14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.682 0.923 13.119 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.070 0.328 14.721 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.999 2.794 14.361 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.621 1.843 15.784 1.00 0.00 H new ATOM 834 N PRO A 56 -5.188 -0.695 11.580 1.00 0.00 N ATOM 835 CA PRO A 56 -4.891 -0.782 10.150 1.00 0.00 C ATOM 836 C PRO A 56 -6.147 -0.699 9.296 1.00 0.00 C ATOM 837 O PRO A 56 -7.120 -1.416 9.523 1.00 0.00 O ATOM 838 CB PRO A 56 -4.232 -2.156 9.999 1.00 0.00 C ATOM 839 CG PRO A 56 -4.734 -2.945 11.156 1.00 0.00 C ATOM 840 CD PRO A 56 -4.926 -1.963 12.276 1.00 0.00 C ATOM 0 HA PRO A 56 -4.261 0.042 9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.504 -2.624 9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.145 -2.078 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.671 -3.444 10.910 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.023 -3.722 11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.758 -2.247 12.920 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.041 -1.898 12.909 1.00 0.00 H new ATOM 848 N LYS A 57 -6.109 0.186 8.312 1.00 0.00 N ATOM 849 CA LYS A 57 -7.233 0.382 7.407 1.00 0.00 C ATOM 850 C LYS A 57 -7.137 -0.558 6.214 1.00 0.00 C ATOM 851 O LYS A 57 -6.163 -1.295 6.071 1.00 0.00 O ATOM 852 CB LYS A 57 -7.271 1.830 6.918 1.00 0.00 C ATOM 853 CG LYS A 57 -7.522 2.840 8.024 1.00 0.00 C ATOM 854 CD LYS A 57 -9.008 3.041 8.271 1.00 0.00 C ATOM 855 CE LYS A 57 -9.464 4.426 7.842 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.542 5.368 8.993 1.00 0.00 N ATOM 0 H LYS A 57 -5.306 0.784 8.118 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.150 0.161 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.325 2.065 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.051 1.929 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.042 2.501 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.065 3.793 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.574 2.286 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.224 2.898 9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.774 4.821 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.441 4.354 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.857 6.301 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.220 5.005 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.604 5.457 9.433 1.00 0.00 H new ATOM 870 N GLU A 58 -8.149 -0.526 5.358 1.00 0.00 N ATOM 871 CA GLU A 58 -8.171 -1.372 4.173 1.00 0.00 C ATOM 872 C GLU A 58 -8.159 -0.522 2.908 1.00 0.00 C ATOM 873 O GLU A 58 -9.164 -0.420 2.208 1.00 0.00 O ATOM 874 CB GLU A 58 -9.402 -2.278 4.183 1.00 0.00 C ATOM 875 CG GLU A 58 -9.281 -3.472 3.250 1.00 0.00 C ATOM 876 CD GLU A 58 -10.542 -4.315 3.216 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.429 -4.023 2.386 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.639 -5.268 4.017 1.00 0.00 O ATOM 0 H GLU A 58 -8.965 0.077 5.462 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.277 -1.996 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.572 -2.636 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.277 -1.693 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.056 -3.120 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.442 -4.092 3.566 1.00 0.00 H new ATOM 885 N LEU A 59 -7.009 0.091 2.630 1.00 0.00 N ATOM 886 CA LEU A 59 -6.841 0.944 1.455 1.00 0.00 C ATOM 887 C LEU A 59 -7.424 0.292 0.205 1.00 0.00 C ATOM 888 O LEU A 59 -6.717 -0.375 -0.552 1.00 0.00 O ATOM 889 CB LEU A 59 -5.358 1.256 1.237 1.00 0.00 C ATOM 890 CG LEU A 59 -5.063 2.404 0.267 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.913 3.622 0.599 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.585 2.760 0.303 1.00 0.00 C ATOM 0 H LEU A 59 -6.173 0.011 3.209 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.383 1.872 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.909 1.493 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.865 0.356 0.869 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.317 2.076 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.687 4.425 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.968 3.361 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.693 3.954 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.391 3.577 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.309 3.068 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.994 1.891 0.015 1.00 0.00 H new ATOM 904 N MET A 60 -8.718 0.491 0.001 1.00 0.00 N ATOM 905 CA MET A 60 -9.413 -0.071 -1.149 1.00 0.00 C ATOM 906 C MET A 60 -9.072 0.703 -2.419 1.00 0.00 C ATOM 907 O MET A 60 -8.642 1.856 -2.356 1.00 0.00 O ATOM 908 CB MET A 60 -10.924 -0.047 -0.913 1.00 0.00 C ATOM 909 CG MET A 60 -11.489 1.354 -0.765 1.00 0.00 C ATOM 910 SD MET A 60 -13.174 1.363 -0.127 1.00 0.00 S ATOM 911 CE MET A 60 -12.983 0.370 1.351 1.00 0.00 C ATOM 0 H MET A 60 -9.312 1.041 0.621 1.00 0.00 H new ATOM 0 HA MET A 60 -9.087 -1.103 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.422 -0.546 -1.745 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.153 -0.620 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.849 1.930 -0.097 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.469 1.853 -1.734 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.717 0.680 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.136 -0.681 1.106 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.979 0.506 1.753 1.00 0.00 H new ATOM 921 N PRO A 61 -9.257 0.078 -3.592 1.00 0.00 N ATOM 922 CA PRO A 61 -8.963 0.717 -4.877 1.00 0.00 C ATOM 923 C PRO A 61 -9.875 1.909 -5.151 1.00 0.00 C ATOM 924 O PRO A 61 -11.077 1.855 -4.891 1.00 0.00 O ATOM 925 CB PRO A 61 -9.204 -0.396 -5.903 1.00 0.00 C ATOM 926 CG PRO A 61 -10.097 -1.373 -5.218 1.00 0.00 C ATOM 927 CD PRO A 61 -9.763 -1.295 -3.755 1.00 0.00 C ATOM 0 HA PRO A 61 -7.951 1.121 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.670 -0.004 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.267 -0.863 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.145 -1.130 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.937 -2.381 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.639 -1.477 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.014 -2.035 -3.474 1.00 0.00 H new ATOM 935 N PRO A 62 -9.312 3.009 -5.680 1.00 0.00 N ATOM 936 CA PRO A 62 -10.079 4.220 -5.984 1.00 0.00 C ATOM 937 C PRO A 62 -11.064 4.015 -7.129 1.00 0.00 C ATOM 938 O PRO A 62 -11.271 2.894 -7.593 1.00 0.00 O ATOM 939 CB PRO A 62 -9.006 5.235 -6.386 1.00 0.00 C ATOM 940 CG PRO A 62 -7.855 4.413 -6.848 1.00 0.00 C ATOM 941 CD PRO A 62 -7.884 3.160 -6.019 1.00 0.00 C ATOM 0 HA PRO A 62 -10.687 4.533 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.363 5.895 -7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.726 5.869 -5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.942 4.181 -7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.915 4.948 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.510 2.301 -6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.266 3.254 -5.126 1.00 0.00 H new ATOM 949 N GLN A 63 -11.667 5.109 -7.579 1.00 0.00 N ATOM 950 CA GLN A 63 -12.628 5.058 -8.671 1.00 0.00 C ATOM 951 C GLN A 63 -12.355 6.165 -9.687 1.00 0.00 C ATOM 952 O GLN A 63 -11.290 6.782 -9.673 1.00 0.00 O ATOM 953 CB GLN A 63 -14.054 5.179 -8.128 1.00 0.00 C ATOM 954 CG GLN A 63 -14.977 4.063 -8.587 1.00 0.00 C ATOM 955 CD GLN A 63 -16.240 3.969 -7.753 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.471 2.976 -7.065 1.00 0.00 O ATOM 957 NE2 GLN A 63 -17.066 5.008 -7.813 1.00 0.00 N ATOM 0 H GLN A 63 -11.506 6.043 -7.203 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.522 4.097 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.020 5.185 -7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.472 6.136 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.247 4.226 -9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.444 3.113 -8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.834 5.811 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.932 5.003 -7.275 1.00 0.00 H new ATOM 966 N ALA A 64 -13.323 6.411 -10.564 1.00 0.00 N ATOM 967 CA ALA A 64 -13.185 7.444 -11.584 1.00 0.00 C ATOM 968 C ALA A 64 -12.893 8.804 -10.957 1.00 0.00 C ATOM 969 O ALA A 64 -13.771 9.423 -10.358 1.00 0.00 O ATOM 970 CB ALA A 64 -14.443 7.514 -12.437 1.00 0.00 C ATOM 0 H ALA A 64 -14.211 5.909 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.340 7.179 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.326 8.289 -13.194 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.606 6.553 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.299 7.750 -11.805 1.00 0.00 H new ATOM 976 N GLY A 65 -11.653 9.261 -11.099 1.00 0.00 N ATOM 977 CA GLY A 65 -11.266 10.544 -10.541 1.00 0.00 C ATOM 978 C GLY A 65 -10.253 10.409 -9.421 1.00 0.00 C ATOM 979 O GLY A 65 -9.466 11.323 -9.174 1.00 0.00 O ATOM 0 H GLY A 65 -10.909 8.766 -11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.849 11.169 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.152 11.055 -10.165 1.00 0.00 H new ATOM 983 N MET A 66 -10.273 9.267 -8.742 1.00 0.00 N ATOM 984 CA MET A 66 -9.350 9.016 -7.640 1.00 0.00 C ATOM 985 C MET A 66 -8.190 8.129 -8.089 1.00 0.00 C ATOM 986 O MET A 66 -7.103 8.179 -7.514 1.00 0.00 O ATOM 987 CB MET A 66 -10.088 8.362 -6.471 1.00 0.00 C ATOM 988 CG MET A 66 -10.572 9.354 -5.426 1.00 0.00 C ATOM 989 SD MET A 66 -12.173 8.903 -4.729 1.00 0.00 S ATOM 990 CE MET A 66 -11.664 8.012 -3.261 1.00 0.00 C ATOM 0 H MET A 66 -10.918 8.501 -8.935 1.00 0.00 H new ATOM 0 HA MET A 66 -8.943 9.973 -7.314 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.943 7.807 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.427 7.638 -5.994 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.836 9.419 -4.624 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.642 10.344 -5.876 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.546 7.668 -2.720 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.057 7.154 -3.549 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.080 8.672 -2.619 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.430 7.318 -9.116 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.404 6.420 -9.638 1.00 0.00 C ATOM 1002 C GLU A 67 -6.133 7.187 -9.994 1.00 0.00 C ATOM 1003 O GLU A 67 -5.028 6.652 -9.901 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.927 5.680 -10.871 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.445 6.603 -11.961 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.341 5.888 -12.953 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -10.236 5.137 -12.511 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.148 6.078 -14.172 1.00 0.00 O ATOM 0 H GLU A 67 -9.325 7.264 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.162 5.696 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.127 5.062 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.728 5.006 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.997 7.424 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.600 7.043 -12.491 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.298 8.441 -10.400 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.164 9.280 -10.767 1.00 0.00 C ATOM 1017 C LYS A 68 -4.523 9.912 -9.533 1.00 0.00 C ATOM 1018 O LYS A 68 -3.387 10.384 -9.587 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.608 10.374 -11.741 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.521 9.870 -12.847 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.935 10.410 -12.697 1.00 0.00 C ATOM 1022 CE LYS A 68 -7.983 11.912 -12.919 1.00 0.00 C ATOM 1023 NZ LYS A 68 -7.791 12.270 -14.352 1.00 0.00 N ATOM 0 H LYS A 68 -7.206 8.899 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.421 8.647 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.123 11.157 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.725 10.830 -12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.118 10.167 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.544 8.780 -12.832 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.593 9.914 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.311 10.176 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.942 12.299 -12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.210 12.392 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.965 13.287 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.817 12.046 -14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.458 11.727 -14.938 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.256 9.920 -8.422 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.752 10.495 -7.179 1.00 0.00 C ATOM 1039 C GLU A 69 -3.761 9.551 -6.503 1.00 0.00 C ATOM 1040 O GLU A 69 -3.869 8.332 -6.625 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.912 10.802 -6.230 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.661 12.079 -6.576 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.859 13.327 -6.264 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -4.802 13.528 -6.899 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.288 14.105 -5.386 1.00 0.00 O ATOM 0 H GLU A 69 -6.199 9.536 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.233 11.422 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.611 9.966 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.527 10.881 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.916 12.071 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.600 12.107 -6.023 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.773 10.108 -5.781 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.757 9.312 -5.087 1.00 0.00 C ATOM 1054 C PRO A 70 -2.285 8.671 -3.808 1.00 0.00 C ATOM 1055 O PRO A 70 -3.348 9.038 -3.307 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.675 10.340 -4.762 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.410 11.628 -4.625 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.567 11.557 -5.587 1.00 0.00 C ATOM 0 HA PRO A 70 -1.409 8.476 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.148 10.084 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.073 10.392 -5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.762 11.768 -3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.762 12.473 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.457 12.037 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.337 12.058 -6.527 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.530 7.708 -3.287 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.910 7.005 -2.068 1.00 0.00 C ATOM 1068 C VAL A 71 -1.964 7.954 -0.873 1.00 0.00 C ATOM 1069 O VAL A 71 -1.409 9.052 -0.915 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.930 5.856 -1.756 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.224 4.649 -2.635 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.510 6.315 -1.929 1.00 0.00 C ATOM 0 H VAL A 71 -0.648 7.396 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.904 6.591 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.067 5.561 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.522 3.849 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.242 4.305 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.119 4.928 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.185 5.489 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.667 6.642 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.712 7.144 -1.250 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.637 7.539 0.217 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.765 8.352 1.435 1.00 0.00 C ATOM 1084 C PRO A 72 -1.489 8.368 2.274 1.00 0.00 C ATOM 1085 O PRO A 72 -1.462 8.938 3.364 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.877 7.638 2.200 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.735 6.213 1.798 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.331 6.240 0.351 1.00 0.00 C ATOM 0 HA PRO A 72 -2.966 9.398 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.763 7.762 3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.859 8.031 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.984 5.707 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.672 5.672 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.676 5.406 0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.196 6.176 -0.310 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.443 7.724 1.771 1.00 0.00 N ATOM 1097 CA LEU A 73 0.825 7.646 2.483 1.00 0.00 C ATOM 1098 C LEU A 73 1.852 8.604 1.886 1.00 0.00 C ATOM 1099 O LEU A 73 1.774 8.960 0.711 1.00 0.00 O ATOM 1100 CB LEU A 73 1.354 6.210 2.444 1.00 0.00 C ATOM 1101 CG LEU A 73 0.280 5.131 2.254 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.895 3.848 1.725 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.458 4.878 3.560 1.00 0.00 C ATOM 0 H LEU A 73 -0.449 7.247 0.869 1.00 0.00 H new ATOM 0 HA LEU A 73 0.656 7.940 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.079 6.127 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.889 6.010 3.372 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.440 5.489 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.116 3.097 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.372 4.042 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.639 3.483 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.216 4.110 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.249 4.543 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.937 5.799 3.892 1.00 0.00 H new ATOM 1115 N GLN A 74 2.812 9.020 2.707 1.00 0.00 N ATOM 1116 CA GLN A 74 3.852 9.940 2.264 1.00 0.00 C ATOM 1117 C GLN A 74 5.225 9.502 2.763 1.00 0.00 C ATOM 1118 O GLN A 74 5.355 8.484 3.444 1.00 0.00 O ATOM 1119 CB GLN A 74 3.551 11.356 2.753 1.00 0.00 C ATOM 1120 CG GLN A 74 2.367 12.003 2.051 1.00 0.00 C ATOM 1121 CD GLN A 74 2.715 12.505 0.664 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.562 13.383 0.503 1.00 0.00 O ATOM 1123 NE2 GLN A 74 2.060 11.948 -0.349 1.00 0.00 N ATOM 0 H GLN A 74 2.890 8.734 3.683 1.00 0.00 H new ATOM 0 HA GLN A 74 3.864 9.931 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.356 11.328 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.434 11.978 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.554 11.281 1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.002 12.835 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.365 11.223 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.252 12.246 -1.306 1.00 0.00 H new ATOM 1132 N HIS A 75 6.246 10.278 2.415 1.00 0.00 N ATOM 1133 CA HIS A 75 7.615 9.976 2.821 1.00 0.00 C ATOM 1134 C HIS A 75 7.727 9.851 4.335 1.00 0.00 C ATOM 1135 O HIS A 75 7.638 10.842 5.059 1.00 0.00 O ATOM 1136 CB HIS A 75 8.569 11.060 2.317 1.00 0.00 C ATOM 1137 CG HIS A 75 9.992 10.603 2.226 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.521 9.622 3.038 1.00 0.00 N ATOM 1139 CD2 HIS A 75 11.000 10.999 1.411 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.791 9.433 2.728 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.106 10.255 1.744 1.00 0.00 N ATOM 0 H HIS A 75 6.151 11.123 1.851 1.00 0.00 H new ATOM 0 HA HIS A 75 7.891 9.019 2.378 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.239 11.396 1.334 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.513 11.921 2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.944 11.757 0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.458 8.726 3.199 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.023 10.326 1.302 1.00 0.00 H new ATOM 1150 N GLY A 76 7.930 8.625 4.805 1.00 0.00 N ATOM 1151 CA GLY A 76 8.058 8.391 6.228 1.00 0.00 C ATOM 1152 C GLY A 76 6.873 7.647 6.813 1.00 0.00 C ATOM 1153 O GLY A 76 6.769 7.502 8.031 1.00 0.00 O ATOM 0 H GLY A 76 8.008 7.790 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.968 7.821 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.169 9.347 6.740 1.00 0.00 H new ATOM 1157 N ASP A 77 5.976 7.171 5.953 1.00 0.00 N ATOM 1158 CA ASP A 77 4.804 6.441 6.416 1.00 0.00 C ATOM 1159 C ASP A 77 5.085 4.945 6.473 1.00 0.00 C ATOM 1160 O ASP A 77 6.193 4.498 6.178 1.00 0.00 O ATOM 1161 CB ASP A 77 3.607 6.715 5.500 1.00 0.00 C ATOM 1162 CG ASP A 77 2.402 7.228 6.262 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.086 6.661 7.328 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.773 8.200 5.791 1.00 0.00 O ATOM 0 H ASP A 77 6.039 7.277 4.941 1.00 0.00 H new ATOM 0 HA ASP A 77 4.566 6.787 7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.892 7.445 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.338 5.799 4.974 1.00 0.00 H new ATOM 1169 N ARG A 78 4.071 4.179 6.848 1.00 0.00 N ATOM 1170 CA ARG A 78 4.196 2.730 6.940 1.00 0.00 C ATOM 1171 C ARG A 78 2.872 2.064 6.606 1.00 0.00 C ATOM 1172 O ARG A 78 1.805 2.569 6.954 1.00 0.00 O ATOM 1173 CB ARG A 78 4.661 2.315 8.338 1.00 0.00 C ATOM 1174 CG ARG A 78 3.910 3.010 9.462 1.00 0.00 C ATOM 1175 CD ARG A 78 2.485 2.496 9.584 1.00 0.00 C ATOM 1176 NE ARG A 78 2.128 2.187 10.967 1.00 0.00 N ATOM 1177 CZ ARG A 78 2.425 1.039 11.572 1.00 0.00 C ATOM 1178 NH1 ARG A 78 3.094 0.092 10.925 1.00 0.00 N ATOM 1179 NH2 ARG A 78 2.056 0.838 12.829 1.00 0.00 N ATOM 0 H ARG A 78 3.149 4.538 7.095 1.00 0.00 H new ATOM 0 HA ARG A 78 4.945 2.404 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.542 1.237 8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.725 2.530 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.436 2.853 10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.896 4.085 9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.796 3.243 9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.369 1.602 8.972 1.00 0.00 H new ATOM 0 HE ARG A 78 1.621 2.893 11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.384 0.242 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.318 -0.785 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.545 1.563 13.333 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.283 -0.042 13.293 1.00 0.00 H new ATOM 1193 N ILE A 79 2.945 0.938 5.912 1.00 0.00 N ATOM 1194 CA ILE A 79 1.745 0.219 5.515 1.00 0.00 C ATOM 1195 C ILE A 79 1.878 -1.278 5.746 1.00 0.00 C ATOM 1196 O ILE A 79 2.983 -1.808 5.864 1.00 0.00 O ATOM 1197 CB ILE A 79 1.417 0.463 4.032 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.701 0.638 3.218 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.521 1.679 3.889 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.473 0.669 1.723 1.00 0.00 C ATOM 0 H ILE A 79 3.819 0.504 5.613 1.00 0.00 H new ATOM 0 HA ILE A 79 0.937 0.602 6.138 1.00 0.00 H new ATOM 0 HB ILE A 79 0.887 -0.407 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.190 1.564 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.385 -0.176 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.295 1.843 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.406 1.514 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.030 2.555 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.427 0.796 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.013 -0.267 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.814 1.501 1.473 1.00 0.00 H new ATOM 1212 N THR A 80 0.736 -1.954 5.797 1.00 0.00 N ATOM 1213 CA THR A 80 0.706 -3.395 5.999 1.00 0.00 C ATOM 1214 C THR A 80 -0.114 -4.065 4.905 1.00 0.00 C ATOM 1215 O THR A 80 -1.254 -3.680 4.643 1.00 0.00 O ATOM 1216 CB THR A 80 0.121 -3.734 7.368 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.852 -3.096 8.399 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.112 -5.219 7.660 1.00 0.00 C ATOM 0 H THR A 80 -0.184 -1.524 5.701 1.00 0.00 H new ATOM 0 HA THR A 80 1.729 -3.768 5.954 1.00 0.00 H new ATOM 0 HB THR A 80 -0.909 -3.378 7.340 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.460 -3.325 9.268 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.316 -5.393 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.487 -5.734 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.133 -5.601 7.634 1.00 0.00 H new ATOM 1226 N ILE A 81 0.475 -5.066 4.267 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.195 -5.789 3.197 1.00 0.00 C ATOM 1228 C ILE A 81 -0.747 -7.119 3.691 1.00 0.00 C ATOM 1229 O ILE A 81 -0.286 -7.664 4.692 1.00 0.00 O ATOM 1230 CB ILE A 81 0.763 -6.057 2.021 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.520 -4.781 1.646 1.00 0.00 C ATOM 1232 CG2 ILE A 81 -0.005 -6.599 0.825 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.620 -3.593 1.387 1.00 0.00 C ATOM 0 H ILE A 81 1.418 -5.396 4.473 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.018 -5.160 2.858 1.00 0.00 H new ATOM 0 HB ILE A 81 1.491 -6.807 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.214 -4.532 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.119 -4.973 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.686 -6.783 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.498 -7.531 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.754 -5.871 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.228 -2.726 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.057 -3.822 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.040 -3.374 2.283 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.733 -7.644 2.975 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.339 -8.918 3.335 1.00 0.00 C ATOM 1247 C GLU A 82 -2.544 -9.781 2.092 1.00 0.00 C ATOM 1248 O GLU A 82 -3.302 -9.420 1.193 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.671 -8.697 4.063 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.619 -9.886 3.994 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.839 -9.711 4.877 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.675 -9.283 6.039 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.959 -10.003 4.407 1.00 0.00 O ATOM 0 H GLU A 82 -2.129 -7.207 2.143 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.663 -9.441 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.468 -8.468 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.166 -7.825 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.940 -10.031 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.086 -10.789 4.292 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.867 -10.923 2.053 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.979 -11.834 0.925 1.00 0.00 C ATOM 1262 C ILE A 83 -3.401 -12.367 0.797 1.00 0.00 C ATOM 1263 O ILE A 83 -3.852 -13.168 1.615 1.00 0.00 O ATOM 1264 CB ILE A 83 -1.003 -13.022 1.055 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.445 -12.521 1.121 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.185 -13.981 -0.114 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.079 -12.668 2.489 1.00 0.00 C ATOM 0 H ILE A 83 -1.236 -11.238 2.790 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.722 -11.266 0.031 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.223 -13.556 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.043 -13.069 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.470 -11.471 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.491 -14.815 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.208 -14.358 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.987 -13.457 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.102 -12.293 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.505 -12.097 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.087 -13.720 2.775 1.00 0.00 H new ATOM 1279 N LEU A 84 -4.100 -11.917 -0.237 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.470 -12.348 -0.479 1.00 0.00 C ATOM 1281 C LEU A 84 -5.499 -13.743 -1.097 1.00 0.00 C ATOM 1282 O LEU A 84 -4.456 -14.308 -1.424 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.190 -11.354 -1.393 1.00 0.00 C ATOM 1284 CG LEU A 84 -6.087 -9.890 -0.965 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.889 -9.001 -1.904 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.565 -9.721 0.470 1.00 0.00 C ATOM 0 H LEU A 84 -3.740 -11.253 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.987 -12.384 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.786 -11.451 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.244 -11.628 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.041 -9.588 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.804 -7.963 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.502 -9.101 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.936 -9.302 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.485 -8.673 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.604 -10.041 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.948 -10.328 1.133 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.698 -14.290 -1.255 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.862 -15.616 -1.832 1.00 0.00 C ATOM 1300 C LYS A 85 -7.142 -15.524 -3.327 1.00 0.00 C ATOM 1301 O LYS A 85 -8.279 -15.303 -3.746 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.999 -16.365 -1.134 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.770 -17.863 -1.036 1.00 0.00 C ATOM 1304 CD LYS A 85 -7.033 -18.233 0.241 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.531 -18.052 0.090 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.785 -18.620 1.246 1.00 0.00 N ATOM 0 H LYS A 85 -7.571 -13.834 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.933 -16.166 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.128 -15.959 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.928 -16.182 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.728 -18.381 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.197 -18.201 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.394 -17.615 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.251 -19.269 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.198 -18.534 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.301 -16.991 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.765 -18.477 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.084 -18.143 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.984 -19.638 1.321 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.096 -15.694 -4.123 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.240 -15.627 -5.565 1.00 0.00 C ATOM 1322 C GLY A 86 -6.815 -16.901 -6.151 1.00 0.00 C ATOM 1323 O GLY A 86 -7.289 -17.752 -5.370 1.00 0.00 O ATOM 1324 OXT GLY A 86 -6.793 -17.047 -7.392 1.00 0.00 O ATOM 0 H GLY A 86 -5.147 -15.878 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.886 -14.788 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.267 -15.431 -6.015 1.00 0.00 H new TER 1328 GLY A 86