USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 415 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 14 TYR OH : rot 130:sc= 0.136 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -160:sc= 0.539 (180deg=0.133) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 142:sc= 1.11 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 7 ASN : amide:sc= -0.0156 X(o=-0.016,f=0.12) USER MOD Single : A 8 THR OG1 : rot -80:sc= 0.0992 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.42 (180deg=1.13) USER MOD Single : A 17 TYR OH : rot 56:sc= -0.162 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.788 F(o=-4!,f=-0.79) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 17:sc= 0.423 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 67 ASN : amide:sc= 0.466 K(o=0.47,f=-3.8!) USER MOD Single : A 68 THR OG1 : rot -53:sc= 0.757 USER MOD Single : A 70 ASN : amide:sc= 0.0596 K(o=0.06,f=-9.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.875 7.180 5.635 1.00 0.00 N ATOM 2 CA ALA A 1 -7.268 6.075 6.407 1.00 0.00 C ATOM 3 C ALA A 1 -8.093 4.805 6.248 1.00 0.00 C ATOM 4 O ALA A 1 -9.322 4.827 6.364 1.00 0.00 O ATOM 5 CB ALA A 1 -7.142 6.447 7.878 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.303 8.040 5.752 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.910 6.922 4.628 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.840 7.356 5.981 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.267 5.893 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.693 5.618 8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.512 7.331 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.131 6.658 8.286 1.00 0.00 H new ATOM 13 N THR A 2 -7.420 3.704 5.968 1.00 0.00 N ATOM 14 CA THR A 2 -8.092 2.433 5.768 1.00 0.00 C ATOM 15 C THR A 2 -7.822 1.483 6.928 1.00 0.00 C ATOM 16 O THR A 2 -6.699 1.015 7.112 1.00 0.00 O ATOM 17 CB THR A 2 -7.639 1.783 4.446 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.993 2.762 3.617 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.822 1.182 3.698 1.00 0.00 C ATOM 0 H THR A 2 -6.405 3.664 5.874 1.00 0.00 H new ATOM 0 HA THR A 2 -9.163 2.628 5.720 1.00 0.00 H new ATOM 0 HB THR A 2 -6.938 0.983 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.237 2.348 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.474 0.730 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.295 0.420 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.545 1.965 3.471 1.00 0.00 H new ATOM 27 N THR A 3 -8.846 1.217 7.725 1.00 0.00 N ATOM 28 CA THR A 3 -8.731 0.269 8.819 1.00 0.00 C ATOM 29 C THR A 3 -8.832 -1.153 8.285 1.00 0.00 C ATOM 30 O THR A 3 -9.834 -1.526 7.672 1.00 0.00 O ATOM 31 CB THR A 3 -9.833 0.497 9.867 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.570 1.685 9.537 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.245 0.621 11.266 1.00 0.00 C ATOM 0 H THR A 3 -9.767 1.646 7.633 1.00 0.00 H new ATOM 0 HA THR A 3 -7.762 0.419 9.294 1.00 0.00 H new ATOM 0 HB THR A 3 -10.501 -0.364 9.858 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.273 1.829 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.048 0.782 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.710 -0.294 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.556 1.465 11.297 1.00 0.00 H new ATOM 41 N ILE A 4 -7.790 -1.935 8.505 1.00 0.00 N ATOM 42 CA ILE A 4 -7.733 -3.289 7.987 1.00 0.00 C ATOM 43 C ILE A 4 -8.464 -4.249 8.916 1.00 0.00 C ATOM 44 O ILE A 4 -8.230 -4.254 10.125 1.00 0.00 O ATOM 45 CB ILE A 4 -6.271 -3.748 7.793 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.533 -2.755 6.882 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.225 -5.160 7.219 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.246 -3.290 6.290 1.00 0.00 C ATOM 0 H ILE A 4 -6.969 -1.653 9.041 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.226 -3.296 7.015 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.771 -3.768 8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.198 -2.462 6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.310 -1.854 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.187 -5.466 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.723 -5.847 7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.732 -5.177 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.790 -2.526 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.559 -3.556 7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.462 -4.174 5.689 1.00 0.00 H new ATOM 60 N GLY A 5 -9.370 -5.032 8.353 1.00 0.00 N ATOM 61 CA GLY A 5 -10.106 -6.001 9.138 1.00 0.00 C ATOM 62 C GLY A 5 -9.468 -7.371 9.074 1.00 0.00 C ATOM 63 O GLY A 5 -8.488 -7.555 8.353 1.00 0.00 O ATOM 0 H GLY A 5 -9.610 -5.014 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.153 -5.669 10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.132 -6.060 8.775 1.00 0.00 H new ATOM 67 N PRO A 6 -9.999 -8.354 9.819 1.00 0.00 N ATOM 68 CA PRO A 6 -9.481 -9.728 9.813 1.00 0.00 C ATOM 69 C PRO A 6 -9.481 -10.334 8.416 1.00 0.00 C ATOM 70 O PRO A 6 -8.619 -11.141 8.073 1.00 0.00 O ATOM 71 CB PRO A 6 -10.450 -10.482 10.730 1.00 0.00 C ATOM 72 CG PRO A 6 -11.054 -9.429 11.592 1.00 0.00 C ATOM 73 CD PRO A 6 -11.142 -8.202 10.735 1.00 0.00 C ATOM 0 HA PRO A 6 -8.444 -9.776 10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.212 -11.007 10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.929 -11.231 11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.040 -9.731 11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.441 -9.247 12.475 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.088 -8.154 10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.066 -7.290 11.327 1.00 0.00 H new ATOM 81 N ASN A 7 -10.457 -9.940 7.612 1.00 0.00 N ATOM 82 CA ASN A 7 -10.540 -10.389 6.231 1.00 0.00 C ATOM 83 C ASN A 7 -11.092 -9.272 5.359 1.00 0.00 C ATOM 84 O ASN A 7 -12.305 -9.155 5.169 1.00 0.00 O ATOM 85 CB ASN A 7 -11.408 -11.652 6.094 1.00 0.00 C ATOM 86 CG ASN A 7 -12.541 -11.720 7.103 1.00 0.00 C ATOM 87 OD1 ASN A 7 -13.608 -11.140 6.901 1.00 0.00 O ATOM 88 ND2 ASN A 7 -12.323 -12.444 8.190 1.00 0.00 N ATOM 0 H ASN A 7 -11.206 -9.307 7.894 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.534 -10.646 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.825 -11.689 5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.776 -12.532 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.053 -12.536 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.425 -12.910 8.321 1.00 0.00 H new ATOM 95 N THR A 8 -10.195 -8.426 4.867 1.00 0.00 N ATOM 96 CA THR A 8 -10.567 -7.337 3.972 1.00 0.00 C ATOM 97 C THR A 8 -11.177 -7.871 2.681 1.00 0.00 C ATOM 98 O THR A 8 -12.104 -7.287 2.122 1.00 0.00 O ATOM 99 CB THR A 8 -9.339 -6.481 3.622 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.323 -6.661 4.617 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.712 -5.013 3.518 1.00 0.00 C ATOM 0 H THR A 8 -9.198 -8.474 5.075 1.00 0.00 H new ATOM 0 HA THR A 8 -11.305 -6.727 4.492 1.00 0.00 H new ATOM 0 HB THR A 8 -8.958 -6.804 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.532 -6.111 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.826 -4.429 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.463 -4.883 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.116 -4.672 4.471 1.00 0.00 H new ATOM 109 N CYS A 9 -10.644 -8.986 2.221 1.00 0.00 N ATOM 110 CA CYS A 9 -11.109 -9.614 1.003 1.00 0.00 C ATOM 111 C CYS A 9 -11.973 -10.825 1.339 1.00 0.00 C ATOM 112 O CYS A 9 -11.847 -11.403 2.420 1.00 0.00 O ATOM 113 CB CYS A 9 -9.907 -10.036 0.164 1.00 0.00 C ATOM 114 SG CYS A 9 -8.670 -10.987 1.107 1.00 0.00 S ATOM 0 H CYS A 9 -9.879 -9.480 2.680 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.712 -8.906 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -10.253 -10.636 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.432 -9.147 -0.252 1.00 0.00 H new ATOM 119 N SER A 10 -12.844 -11.208 0.425 1.00 0.00 N ATOM 120 CA SER A 10 -13.724 -12.345 0.642 1.00 0.00 C ATOM 121 C SER A 10 -13.114 -13.614 0.053 1.00 0.00 C ATOM 122 O SER A 10 -13.748 -14.321 -0.728 1.00 0.00 O ATOM 123 CB SER A 10 -15.095 -12.071 0.024 1.00 0.00 C ATOM 124 OG SER A 10 -15.251 -10.692 -0.280 1.00 0.00 O ATOM 0 H SER A 10 -12.963 -10.748 -0.478 1.00 0.00 H new ATOM 0 HA SER A 10 -13.847 -12.493 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.213 -12.663 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.878 -12.386 0.714 1.00 0.00 H new ATOM 0 HG SER A 10 -16.135 -10.542 -0.676 1.00 0.00 H new ATOM 130 N ILE A 11 -11.866 -13.880 0.420 1.00 0.00 N ATOM 131 CA ILE A 11 -11.172 -15.077 -0.031 1.00 0.00 C ATOM 132 C ILE A 11 -10.702 -15.874 1.175 1.00 0.00 C ATOM 133 O ILE A 11 -10.458 -15.305 2.242 1.00 0.00 O ATOM 134 CB ILE A 11 -9.957 -14.763 -0.939 1.00 0.00 C ATOM 135 CG1 ILE A 11 -9.902 -13.271 -1.304 1.00 0.00 C ATOM 136 CG2 ILE A 11 -9.998 -15.628 -2.194 1.00 0.00 C ATOM 137 CD1 ILE A 11 -10.672 -12.898 -2.558 1.00 0.00 C ATOM 0 H ILE A 11 -11.313 -13.279 1.031 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.881 -15.653 -0.626 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.049 -14.998 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.293 -12.691 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.859 -12.980 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.138 -15.397 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.969 -16.680 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.916 -15.426 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.577 -11.827 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.268 -13.446 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.724 -13.152 -2.428 1.00 0.00 H new ATOM 149 N ASP A 12 -10.589 -17.183 1.012 1.00 0.00 N ATOM 150 CA ASP A 12 -10.249 -18.063 2.124 1.00 0.00 C ATOM 151 C ASP A 12 -8.777 -17.958 2.499 1.00 0.00 C ATOM 152 O ASP A 12 -7.901 -18.300 1.703 1.00 0.00 O ATOM 153 CB ASP A 12 -10.594 -19.513 1.784 1.00 0.00 C ATOM 154 CG ASP A 12 -11.256 -20.234 2.939 1.00 0.00 C ATOM 155 OD1 ASP A 12 -11.263 -19.697 4.068 1.00 0.00 O ATOM 156 OD2 ASP A 12 -11.782 -21.346 2.723 1.00 0.00 O ATOM 0 H ASP A 12 -10.727 -17.661 0.122 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.839 -17.742 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.257 -19.533 0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.685 -20.043 1.501 1.00 0.00 H new ATOM 161 N ASP A 13 -8.531 -17.476 3.717 1.00 0.00 N ATOM 162 CA ASP A 13 -7.187 -17.420 4.305 1.00 0.00 C ATOM 163 C ASP A 13 -6.216 -16.609 3.452 1.00 0.00 C ATOM 164 O ASP A 13 -5.318 -17.163 2.814 1.00 0.00 O ATOM 165 CB ASP A 13 -6.635 -18.832 4.517 1.00 0.00 C ATOM 166 CG ASP A 13 -6.233 -19.098 5.955 1.00 0.00 C ATOM 167 OD1 ASP A 13 -6.159 -18.135 6.750 1.00 0.00 O ATOM 168 OD2 ASP A 13 -5.987 -20.274 6.295 1.00 0.00 O ATOM 0 H ASP A 13 -9.260 -17.111 4.329 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.282 -16.917 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.388 -19.560 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.770 -18.980 3.870 1.00 0.00 H new ATOM 173 N TYR A 14 -6.391 -15.296 3.446 1.00 0.00 N ATOM 174 CA TYR A 14 -5.500 -14.411 2.710 1.00 0.00 C ATOM 175 C TYR A 14 -4.946 -13.335 3.633 1.00 0.00 C ATOM 176 O TYR A 14 -5.658 -12.830 4.501 1.00 0.00 O ATOM 177 CB TYR A 14 -6.233 -13.773 1.528 1.00 0.00 C ATOM 178 CG TYR A 14 -5.997 -14.497 0.227 1.00 0.00 C ATOM 179 CD1 TYR A 14 -6.732 -15.627 -0.103 1.00 0.00 C ATOM 180 CD2 TYR A 14 -5.026 -14.065 -0.662 1.00 0.00 C ATOM 181 CE1 TYR A 14 -6.503 -16.306 -1.282 1.00 0.00 C ATOM 182 CE2 TYR A 14 -4.796 -14.736 -1.845 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.536 -15.857 -2.151 1.00 0.00 C ATOM 184 OH TYR A 14 -5.296 -16.541 -3.321 1.00 0.00 O ATOM 0 H TYR A 14 -7.143 -14.819 3.943 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.669 -15.000 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.302 -13.755 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.911 -12.737 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.496 -15.981 0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.440 -13.189 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.081 -17.186 -1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.038 -14.384 -2.529 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.301 -15.913 -4.074 1.00 0.00 H new ATOM 194 N LYS A 15 -3.676 -12.994 3.447 1.00 0.00 N ATOM 195 CA LYS A 15 -3.022 -12.007 4.295 1.00 0.00 C ATOM 196 C LYS A 15 -3.172 -10.610 3.706 1.00 0.00 C ATOM 197 O LYS A 15 -2.817 -10.375 2.548 1.00 0.00 O ATOM 198 CB LYS A 15 -1.532 -12.334 4.468 1.00 0.00 C ATOM 199 CG LYS A 15 -1.212 -13.823 4.505 1.00 0.00 C ATOM 200 CD LYS A 15 0.246 -14.071 4.865 1.00 0.00 C ATOM 201 CE LYS A 15 1.188 -13.445 3.847 1.00 0.00 C ATOM 202 NZ LYS A 15 2.461 -14.203 3.713 1.00 0.00 N ATOM 0 H LYS A 15 -3.080 -13.386 2.718 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.505 -12.037 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.975 -11.876 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.177 -11.876 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.857 -14.317 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.429 -14.267 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.452 -13.660 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.430 -15.144 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.692 -13.398 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.408 -12.419 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.979 -13.866 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.043 -14.057 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.252 -15.216 3.606 1.00 0.00 H new ATOM 216 N PRO A 16 -3.722 -9.676 4.489 1.00 0.00 N ATOM 217 CA PRO A 16 -3.877 -8.284 4.080 1.00 0.00 C ATOM 218 C PRO A 16 -2.554 -7.525 4.142 1.00 0.00 C ATOM 219 O PRO A 16 -1.768 -7.703 5.071 1.00 0.00 O ATOM 220 CB PRO A 16 -4.876 -7.708 5.098 1.00 0.00 C ATOM 221 CG PRO A 16 -5.331 -8.864 5.932 1.00 0.00 C ATOM 222 CD PRO A 16 -4.251 -9.898 5.837 1.00 0.00 C ATOM 0 HA PRO A 16 -4.217 -8.198 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.406 -6.943 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.719 -7.236 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.489 -8.559 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.280 -9.257 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.487 -9.759 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.643 -10.908 5.959 1.00 0.00 H new ATOM 230 N TYR A 17 -2.313 -6.690 3.149 1.00 0.00 N ATOM 231 CA TYR A 17 -1.086 -5.912 3.081 1.00 0.00 C ATOM 232 C TYR A 17 -1.404 -4.435 2.903 1.00 0.00 C ATOM 233 O TYR A 17 -2.362 -4.084 2.212 1.00 0.00 O ATOM 234 CB TYR A 17 -0.231 -6.380 1.904 1.00 0.00 C ATOM 235 CG TYR A 17 0.609 -7.606 2.181 1.00 0.00 C ATOM 236 CD1 TYR A 17 0.024 -8.863 2.274 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.984 -7.510 2.331 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.789 -9.988 2.511 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.757 -8.630 2.565 1.00 0.00 C ATOM 240 CZ TYR A 17 2.157 -9.869 2.655 1.00 0.00 C ATOM 241 OH TYR A 17 2.921 -10.990 2.893 1.00 0.00 O ATOM 0 H TYR A 17 -2.955 -6.531 2.372 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.539 -6.056 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.885 -6.588 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.428 -5.565 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.045 -8.962 2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.459 -6.542 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.319 -10.958 2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.827 -8.536 2.677 1.00 0.00 H new ATOM 0 HH TYR A 17 2.767 -11.648 2.183 1.00 0.00 H new ATOM 251 N CYS A 18 -0.609 -3.577 3.525 1.00 0.00 N ATOM 252 CA CYS A 18 -0.721 -2.143 3.297 1.00 0.00 C ATOM 253 C CYS A 18 0.228 -1.741 2.174 1.00 0.00 C ATOM 254 O CYS A 18 1.449 -1.809 2.332 1.00 0.00 O ATOM 255 CB CYS A 18 -0.387 -1.349 4.571 1.00 0.00 C ATOM 256 SG CYS A 18 -1.202 -1.959 6.084 1.00 0.00 S ATOM 0 H CYS A 18 0.117 -3.846 4.188 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.750 -1.913 3.019 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.692 -1.369 4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.668 -0.307 4.418 1.00 0.00 H new ATOM 261 N CYS A 19 -0.328 -1.336 1.040 1.00 0.00 N ATOM 262 CA CYS A 19 0.488 -0.941 -0.095 1.00 0.00 C ATOM 263 C CYS A 19 0.230 0.509 -0.479 1.00 0.00 C ATOM 264 O CYS A 19 -0.910 0.909 -0.715 1.00 0.00 O ATOM 265 CB CYS A 19 0.211 -1.853 -1.292 1.00 0.00 C ATOM 266 SG CYS A 19 0.715 -3.587 -1.047 1.00 0.00 S ATOM 0 H CYS A 19 -1.334 -1.273 0.884 1.00 0.00 H new ATOM 0 HA CYS A 19 1.534 -1.038 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.855 -1.825 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.730 -1.456 -2.164 1.00 0.00 H new ATOM 271 N GLN A 20 1.293 1.297 -0.525 1.00 0.00 N ATOM 272 CA GLN A 20 1.190 2.684 -0.946 1.00 0.00 C ATOM 273 C GLN A 20 1.605 2.798 -2.397 1.00 0.00 C ATOM 274 O GLN A 20 2.787 2.710 -2.730 1.00 0.00 O ATOM 275 CB GLN A 20 2.058 3.580 -0.067 1.00 0.00 C ATOM 276 CG GLN A 20 1.933 3.250 1.405 1.00 0.00 C ATOM 277 CD GLN A 20 1.564 4.447 2.263 1.00 0.00 C ATOM 278 OE1 GLN A 20 1.353 5.597 1.639 1.00 0.00 O flip ATOM 279 NE2 GLN A 20 1.471 4.335 3.486 1.00 0.00 N flip ATOM 0 H GLN A 20 2.236 0.999 -0.276 1.00 0.00 H new ATOM 0 HA GLN A 20 0.157 3.014 -0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.100 3.480 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.778 4.621 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.178 2.474 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.878 2.837 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.641 3.433 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.224 5.145 4.055 1.00 0.00 H new ATOM 288 N SER A 21 0.626 2.980 -3.255 1.00 0.00 N ATOM 289 CA SER A 21 0.864 2.989 -4.688 1.00 0.00 C ATOM 290 C SER A 21 0.751 4.396 -5.266 1.00 0.00 C ATOM 291 O SER A 21 1.157 4.642 -6.402 1.00 0.00 O ATOM 292 CB SER A 21 -0.113 2.038 -5.383 1.00 0.00 C ATOM 293 OG SER A 21 -0.370 0.900 -4.572 1.00 0.00 O ATOM 0 H SER A 21 -0.348 3.125 -2.987 1.00 0.00 H new ATOM 0 HA SER A 21 1.883 2.646 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.047 2.559 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.299 1.722 -6.341 1.00 0.00 H new ATOM 0 HG SER A 21 -0.998 0.305 -5.033 1.00 0.00 H new ATOM 569 N SER A 42 6.342 -6.598 -9.060 1.00 0.00 N ATOM 570 CA SER A 42 7.144 -5.958 -8.027 1.00 0.00 C ATOM 571 C SER A 42 6.273 -5.556 -6.845 1.00 0.00 C ATOM 572 O SER A 42 5.703 -4.463 -6.824 1.00 0.00 O ATOM 573 CB SER A 42 7.842 -4.726 -8.601 1.00 0.00 C ATOM 574 OG SER A 42 8.245 -4.944 -9.946 1.00 0.00 O ATOM 0 HA SER A 42 7.894 -6.668 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.170 -3.869 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.713 -4.482 -7.993 1.00 0.00 H new ATOM 0 HG SER A 42 7.770 -5.721 -10.308 1.00 0.00 H new ATOM 580 N LEU A 43 6.176 -6.430 -5.858 1.00 0.00 N ATOM 581 CA LEU A 43 5.322 -6.167 -4.713 1.00 0.00 C ATOM 582 C LEU A 43 6.136 -6.089 -3.431 1.00 0.00 C ATOM 583 O LEU A 43 6.569 -7.105 -2.883 1.00 0.00 O ATOM 584 CB LEU A 43 4.231 -7.235 -4.587 1.00 0.00 C ATOM 585 CG LEU A 43 2.819 -6.747 -4.925 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.377 -5.671 -3.943 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.765 -6.220 -6.353 1.00 0.00 C ATOM 0 H LEU A 43 6.673 -7.320 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 43 4.842 -5.202 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.480 -8.069 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.234 -7.620 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 43 2.134 -7.591 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.372 -5.336 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.378 -6.079 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.065 -4.827 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.755 -5.877 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.462 -5.389 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.040 -7.016 -7.045 1.00 0.00 H new ATOM 599 N GLY A 44 6.338 -4.871 -2.963 1.00 0.00 N ATOM 600 CA GLY A 44 7.033 -4.654 -1.717 1.00 0.00 C ATOM 601 C GLY A 44 6.155 -3.939 -0.721 1.00 0.00 C ATOM 602 O GLY A 44 6.065 -2.711 -0.734 1.00 0.00 O ATOM 0 H GLY A 44 6.029 -4.019 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.352 -5.611 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.935 -4.068 -1.897 1.00 0.00 H new ATOM 606 N CYS A 45 5.491 -4.701 0.129 1.00 0.00 N ATOM 607 CA CYS A 45 4.572 -4.132 1.098 1.00 0.00 C ATOM 608 C CYS A 45 4.752 -4.782 2.458 1.00 0.00 C ATOM 609 O CYS A 45 5.562 -5.690 2.620 1.00 0.00 O ATOM 610 CB CYS A 45 3.126 -4.306 0.630 1.00 0.00 C ATOM 611 SG CYS A 45 2.741 -3.501 -0.958 1.00 0.00 S ATOM 0 H CYS A 45 5.571 -5.717 0.168 1.00 0.00 H new ATOM 0 HA CYS A 45 4.793 -3.068 1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.912 -5.371 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.460 -3.908 1.395 1.00 0.00 H new ATOM 616 N VAL A 46 3.996 -4.310 3.434 1.00 0.00 N ATOM 617 CA VAL A 46 4.030 -4.878 4.768 1.00 0.00 C ATOM 618 C VAL A 46 2.653 -5.395 5.145 1.00 0.00 C ATOM 619 O VAL A 46 1.639 -4.854 4.693 1.00 0.00 O ATOM 620 CB VAL A 46 4.502 -3.859 5.823 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.015 -3.904 5.960 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.029 -2.454 5.475 1.00 0.00 C ATOM 0 H VAL A 46 3.348 -3.530 3.325 1.00 0.00 H new ATOM 0 HA VAL A 46 4.748 -5.698 4.753 1.00 0.00 H new ATOM 0 HB VAL A 46 4.061 -4.129 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.334 -3.179 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.323 -4.903 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.474 -3.662 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.376 -1.755 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.432 -2.164 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.940 -2.436 5.435 1.00 0.00 H new ATOM 632 N VAL A 47 2.620 -6.444 5.956 1.00 0.00 N ATOM 633 CA VAL A 47 1.361 -7.053 6.364 1.00 0.00 C ATOM 634 C VAL A 47 0.549 -6.086 7.211 1.00 0.00 C ATOM 635 O VAL A 47 1.098 -5.338 8.021 1.00 0.00 O ATOM 636 CB VAL A 47 1.568 -8.361 7.161 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.697 -9.474 6.596 1.00 0.00 C ATOM 638 CG2 VAL A 47 3.028 -8.783 7.161 1.00 0.00 C ATOM 0 H VAL A 47 3.451 -6.891 6.344 1.00 0.00 H new ATOM 0 HA VAL A 47 0.824 -7.293 5.447 1.00 0.00 H new ATOM 0 HB VAL A 47 1.272 -8.172 8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.856 -10.387 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.352 -9.183 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.962 -9.650 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.140 -9.706 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.360 -8.946 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.633 -8.000 7.618 1.00 0.00 H new ATOM 648 N GLY A 48 -0.754 -6.096 7.008 1.00 0.00 N ATOM 649 CA GLY A 48 -1.618 -5.207 7.740 1.00 0.00 C ATOM 650 C GLY A 48 -2.045 -5.790 9.066 1.00 0.00 C ATOM 651 O GLY A 48 -2.386 -6.972 9.154 1.00 0.00 O ATOM 0 H GLY A 48 -1.230 -6.708 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.104 -4.261 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.501 -4.986 7.141 1.00 0.00 H new ATOM 655 N VAL A 49 -2.016 -4.969 10.102 1.00 0.00 N ATOM 656 CA VAL A 49 -2.446 -5.393 11.422 1.00 0.00 C ATOM 657 C VAL A 49 -3.964 -5.343 11.505 1.00 0.00 C ATOM 658 O VAL A 49 -4.563 -4.267 11.430 1.00 0.00 O ATOM 659 CB VAL A 49 -1.843 -4.510 12.535 1.00 0.00 C ATOM 660 CG1 VAL A 49 -2.155 -5.082 13.909 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.339 -4.358 12.350 1.00 0.00 C ATOM 0 H VAL A 49 -1.698 -4.001 10.053 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.092 -6.413 11.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.299 -3.522 12.464 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.720 -4.442 14.677 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.235 -5.130 14.046 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.734 -6.084 13.990 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.064 -3.732 13.146 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.133 -5.340 12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.136 -3.893 11.385 1.00 0.00 H new ATOM 671 N ILE A 50 -4.582 -6.506 11.646 1.00 0.00 N ATOM 672 CA ILE A 50 -6.032 -6.597 11.671 1.00 0.00 C ATOM 673 C ILE A 50 -6.598 -5.839 12.869 1.00 0.00 C ATOM 674 O ILE A 50 -6.328 -6.170 14.023 1.00 0.00 O ATOM 675 CB ILE A 50 -6.515 -8.066 11.679 1.00 0.00 C ATOM 676 CG1 ILE A 50 -5.908 -8.850 12.848 1.00 0.00 C ATOM 677 CG2 ILE A 50 -6.156 -8.732 10.363 1.00 0.00 C ATOM 678 CD1 ILE A 50 -6.595 -10.170 13.116 1.00 0.00 C ATOM 0 H ILE A 50 -4.101 -7.400 11.745 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.404 -6.135 10.757 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.598 -8.066 11.804 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.854 -9.034 12.642 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.954 -8.237 13.748 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.498 -9.767 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.637 -8.199 9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.075 -8.709 10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.111 -10.668 13.956 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.644 -9.993 13.354 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.526 -10.802 12.231 1.00 0.00 H new ATOM 690 N GLY A 51 -7.349 -4.787 12.577 1.00 0.00 N ATOM 691 CA GLY A 51 -7.901 -3.940 13.615 1.00 0.00 C ATOM 692 C GLY A 51 -7.229 -2.586 13.657 1.00 0.00 C ATOM 693 O GLY A 51 -7.709 -1.666 14.313 1.00 0.00 O ATOM 0 H GLY A 51 -7.588 -4.502 11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.970 -3.809 13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.789 -4.431 14.582 1.00 0.00 H new ATOM 697 N SER A 52 -6.116 -2.460 12.952 1.00 0.00 N ATOM 698 CA SER A 52 -5.384 -1.207 12.905 1.00 0.00 C ATOM 699 C SER A 52 -5.643 -0.478 11.590 1.00 0.00 C ATOM 700 O SER A 52 -6.240 -1.038 10.667 1.00 0.00 O ATOM 701 CB SER A 52 -3.892 -1.468 13.082 1.00 0.00 C ATOM 702 OG SER A 52 -3.626 -2.043 14.352 1.00 0.00 O ATOM 0 H SER A 52 -5.700 -3.213 12.404 1.00 0.00 H new ATOM 0 HA SER A 52 -5.732 -0.572 13.720 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.540 -2.135 12.295 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.340 -0.534 12.979 1.00 0.00 H new ATOM 0 HG SER A 52 -2.664 -2.204 14.443 1.00 0.00 H new ATOM 708 N GLN A 53 -5.195 0.768 11.505 1.00 0.00 N ATOM 709 CA GLN A 53 -5.424 1.574 10.316 1.00 0.00 C ATOM 710 C GLN A 53 -4.147 1.718 9.506 1.00 0.00 C ATOM 711 O GLN A 53 -3.057 1.862 10.058 1.00 0.00 O ATOM 712 CB GLN A 53 -5.954 2.964 10.678 1.00 0.00 C ATOM 713 CG GLN A 53 -6.581 3.046 12.057 1.00 0.00 C ATOM 714 CD GLN A 53 -6.133 4.278 12.820 1.00 0.00 C ATOM 715 OE1 GLN A 53 -6.847 5.279 12.879 1.00 0.00 O ATOM 716 NE2 GLN A 53 -4.953 4.210 13.411 1.00 0.00 N ATOM 0 H GLN A 53 -4.673 1.240 12.243 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.174 1.058 9.717 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.135 3.680 10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.693 3.264 9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.667 3.056 11.960 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.320 2.154 12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.394 3.360 13.336 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.602 5.007 13.942 1.00 0.00 H new ATOM 725 N CYS A 54 -4.298 1.668 8.199 1.00 0.00 N ATOM 726 CA CYS A 54 -3.188 1.877 7.288 1.00 0.00 C ATOM 727 C CYS A 54 -3.559 2.955 6.278 1.00 0.00 C ATOM 728 O CYS A 54 -4.588 2.857 5.607 1.00 0.00 O ATOM 729 CB CYS A 54 -2.837 0.573 6.562 1.00 0.00 C ATOM 730 SG CYS A 54 -1.390 -0.305 7.251 1.00 0.00 S ATOM 0 H CYS A 54 -5.189 1.482 7.738 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.316 2.198 7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.700 -0.092 6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.646 0.795 5.512 1.00 0.00 H new ATOM 735 N GLY A 55 -2.747 3.998 6.197 1.00 0.00 N ATOM 736 CA GLY A 55 -2.980 5.057 5.229 1.00 0.00 C ATOM 737 C GLY A 55 -2.536 4.662 3.835 1.00 0.00 C ATOM 738 O GLY A 55 -1.776 5.378 3.184 1.00 0.00 O ATOM 0 H GLY A 55 -1.926 4.133 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.041 5.307 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.445 5.955 5.539 1.00 0.00 H new ATOM 742 N ALA A 56 -3.021 3.524 3.376 1.00 0.00 N ATOM 743 CA ALA A 56 -2.628 2.981 2.091 1.00 0.00 C ATOM 744 C ALA A 56 -3.737 2.108 1.532 1.00 0.00 C ATOM 745 O ALA A 56 -4.769 1.912 2.177 1.00 0.00 O ATOM 746 CB ALA A 56 -1.353 2.172 2.238 1.00 0.00 C ATOM 0 H ALA A 56 -3.697 2.952 3.882 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.447 3.805 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.065 1.768 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.556 2.814 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.520 1.353 2.937 1.00 0.00 H new ATOM 752 N SER A 57 -3.518 1.578 0.342 1.00 0.00 N ATOM 753 CA SER A 57 -4.474 0.686 -0.278 1.00 0.00 C ATOM 754 C SER A 57 -4.209 -0.751 0.162 1.00 0.00 C ATOM 755 O SER A 57 -3.094 -1.260 0.025 1.00 0.00 O ATOM 756 CB SER A 57 -4.387 0.815 -1.798 1.00 0.00 C ATOM 757 OG SER A 57 -4.205 2.174 -2.176 1.00 0.00 O ATOM 0 H SER A 57 -2.681 1.753 -0.215 1.00 0.00 H new ATOM 0 HA SER A 57 -5.482 0.958 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.558 0.214 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.296 0.424 -2.254 1.00 0.00 H new ATOM 0 HG SER A 57 -4.150 2.237 -3.152 1.00 0.00 H new ATOM 763 N VAL A 58 -5.231 -1.390 0.710 1.00 0.00 N ATOM 764 CA VAL A 58 -5.088 -2.739 1.237 1.00 0.00 C ATOM 765 C VAL A 58 -5.212 -3.778 0.132 1.00 0.00 C ATOM 766 O VAL A 58 -6.139 -3.735 -0.679 1.00 0.00 O ATOM 767 CB VAL A 58 -6.130 -3.040 2.336 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.748 -4.301 3.102 1.00 0.00 C ATOM 769 CG2 VAL A 58 -6.273 -1.852 3.282 1.00 0.00 C ATOM 0 H VAL A 58 -6.168 -0.997 0.802 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.092 -2.796 1.676 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.095 -3.210 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.493 -4.498 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.705 -5.145 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.772 -4.162 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.012 -2.084 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.313 -1.645 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.597 -0.976 2.720 1.00 0.00 H new ATOM 779 N LYS A 59 -4.261 -4.694 0.095 1.00 0.00 N ATOM 780 CA LYS A 59 -4.292 -5.795 -0.852 1.00 0.00 C ATOM 781 C LYS A 59 -4.308 -7.114 -0.096 1.00 0.00 C ATOM 782 O LYS A 59 -4.009 -7.153 1.096 1.00 0.00 O ATOM 783 CB LYS A 59 -3.082 -5.742 -1.787 1.00 0.00 C ATOM 784 CG LYS A 59 -2.661 -4.331 -2.167 1.00 0.00 C ATOM 785 CD LYS A 59 -2.733 -4.109 -3.672 1.00 0.00 C ATOM 786 CE LYS A 59 -3.997 -3.362 -4.069 1.00 0.00 C ATOM 787 NZ LYS A 59 -3.936 -2.885 -5.475 1.00 0.00 N ATOM 0 H LYS A 59 -3.451 -4.697 0.715 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.194 -5.711 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.242 -6.245 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.312 -6.300 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.304 -3.611 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.644 -4.149 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.859 -3.546 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.702 -5.071 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.860 -4.016 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.142 -2.512 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.815 -2.381 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.127 -2.241 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.823 -3.699 -6.113 1.00 0.00 H new ATOM 801 N CYS A 60 -4.667 -8.182 -0.778 1.00 0.00 N ATOM 802 CA CYS A 60 -4.696 -9.500 -0.167 1.00 0.00 C ATOM 803 C CYS A 60 -3.741 -10.432 -0.893 1.00 0.00 C ATOM 804 O CYS A 60 -3.919 -10.708 -2.076 1.00 0.00 O ATOM 805 CB CYS A 60 -6.112 -10.071 -0.205 1.00 0.00 C ATOM 806 SG CYS A 60 -7.105 -9.709 1.277 1.00 0.00 S ATOM 0 H CYS A 60 -4.944 -8.165 -1.759 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.382 -9.410 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.628 -9.675 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.052 -11.152 -0.333 1.00 0.00 H new ATOM 811 N CYS A 61 -2.729 -10.912 -0.196 1.00 0.00 N ATOM 812 CA CYS A 61 -1.727 -11.750 -0.825 1.00 0.00 C ATOM 813 C CYS A 61 -1.547 -13.068 -0.079 1.00 0.00 C ATOM 814 O CYS A 61 -1.470 -13.107 1.151 1.00 0.00 O ATOM 815 CB CYS A 61 -0.393 -11.005 -0.925 1.00 0.00 C ATOM 816 SG CYS A 61 -0.363 -9.688 -2.189 1.00 0.00 S ATOM 0 H CYS A 61 -2.579 -10.738 0.798 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.076 -11.985 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.161 -10.567 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.396 -11.724 -1.147 1.00 0.00 H new ATOM 821 N LYS A 62 -1.531 -14.145 -0.845 1.00 0.00 N ATOM 822 CA LYS A 62 -1.179 -15.458 -0.345 1.00 0.00 C ATOM 823 C LYS A 62 0.201 -15.818 -0.870 1.00 0.00 C ATOM 824 O LYS A 62 0.418 -15.891 -2.087 1.00 0.00 O ATOM 825 CB LYS A 62 -2.203 -16.505 -0.791 1.00 0.00 C ATOM 826 CG LYS A 62 -2.389 -17.644 0.195 1.00 0.00 C ATOM 827 CD LYS A 62 -3.624 -18.466 -0.135 1.00 0.00 C ATOM 828 CE LYS A 62 -3.511 -19.126 -1.501 1.00 0.00 C ATOM 829 NZ LYS A 62 -4.838 -19.299 -2.151 1.00 0.00 N ATOM 0 H LYS A 62 -1.764 -14.130 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.175 -15.442 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.163 -16.015 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.892 -16.916 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.508 -18.286 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.476 -17.243 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.767 -19.231 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.505 -17.825 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.870 -18.522 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.031 -20.099 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.771 -20.029 -2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.538 -19.590 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.134 -18.399 -2.580 1.00 0.00 H new ATOM 843 N ASP A 63 1.126 -16.010 0.050 1.00 0.00 N ATOM 844 CA ASP A 63 2.522 -16.249 -0.281 1.00 0.00 C ATOM 845 C ASP A 63 3.288 -16.634 0.977 1.00 0.00 C ATOM 846 O ASP A 63 2.726 -16.617 2.073 1.00 0.00 O ATOM 847 CB ASP A 63 3.139 -14.992 -0.916 1.00 0.00 C ATOM 848 CG ASP A 63 3.753 -14.038 0.098 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.075 -13.683 1.090 1.00 0.00 O ATOM 850 OD2 ASP A 63 4.912 -13.636 -0.110 1.00 0.00 O ATOM 0 H ASP A 63 0.933 -16.005 1.052 1.00 0.00 H new ATOM 0 HA ASP A 63 2.584 -17.066 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.906 -15.294 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.370 -14.464 -1.480 1.00 0.00 H new ATOM 855 N ASP A 64 4.555 -16.981 0.826 1.00 0.00 N ATOM 856 CA ASP A 64 5.386 -17.309 1.973 1.00 0.00 C ATOM 857 C ASP A 64 6.627 -16.437 2.004 1.00 0.00 C ATOM 858 O ASP A 64 7.563 -16.634 1.225 1.00 0.00 O ATOM 859 CB ASP A 64 5.782 -18.783 1.965 1.00 0.00 C ATOM 860 CG ASP A 64 6.057 -19.303 3.358 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.704 -18.608 4.338 1.00 0.00 O ATOM 862 OD2 ASP A 64 6.614 -20.414 3.484 1.00 0.00 O ATOM 0 H ASP A 64 5.029 -17.043 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 64 4.799 -17.117 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.985 -19.370 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.669 -18.917 1.346 1.00 0.00 H new ATOM 867 N VAL A 65 6.622 -15.469 2.909 1.00 0.00 N ATOM 868 CA VAL A 65 7.733 -14.541 3.045 1.00 0.00 C ATOM 869 C VAL A 65 8.950 -15.249 3.609 1.00 0.00 C ATOM 870 O VAL A 65 8.937 -15.726 4.747 1.00 0.00 O ATOM 871 CB VAL A 65 7.388 -13.366 3.972 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.417 -12.256 3.831 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.988 -12.844 3.693 1.00 0.00 C ATOM 0 H VAL A 65 5.856 -15.306 3.563 1.00 0.00 H new ATOM 0 HA VAL A 65 7.944 -14.156 2.047 1.00 0.00 H new ATOM 0 HB VAL A 65 7.411 -13.727 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.156 -11.432 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.403 -12.638 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.431 -11.901 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.769 -12.013 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.926 -12.503 2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.263 -13.642 3.856 1.00 0.00 H new ATOM 883 N THR A 66 9.996 -15.320 2.814 1.00 0.00 N ATOM 884 CA THR A 66 11.218 -15.971 3.233 1.00 0.00 C ATOM 885 C THR A 66 12.243 -14.947 3.708 1.00 0.00 C ATOM 886 O THR A 66 12.988 -14.369 2.913 1.00 0.00 O ATOM 887 CB THR A 66 11.799 -16.823 2.097 1.00 0.00 C ATOM 888 OG1 THR A 66 11.024 -16.633 0.901 1.00 0.00 O ATOM 889 CG2 THR A 66 11.787 -18.291 2.491 1.00 0.00 C ATOM 0 H THR A 66 10.024 -14.933 1.871 1.00 0.00 H new ATOM 0 HA THR A 66 10.978 -16.629 4.068 1.00 0.00 H new ATOM 0 HB THR A 66 12.827 -16.514 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.400 -17.178 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.201 -18.889 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.389 -18.432 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.762 -18.606 2.688 1.00 0.00 H new ATOM 897 N ASN A 67 12.262 -14.713 5.012 1.00 0.00 N ATOM 898 CA ASN A 67 13.172 -13.745 5.611 1.00 0.00 C ATOM 899 C ASN A 67 14.567 -14.344 5.770 1.00 0.00 C ATOM 900 O ASN A 67 14.913 -14.906 6.809 1.00 0.00 O ATOM 901 CB ASN A 67 12.633 -13.257 6.968 1.00 0.00 C ATOM 902 CG ASN A 67 12.229 -14.390 7.903 1.00 0.00 C ATOM 903 OD1 ASN A 67 11.365 -15.211 7.577 1.00 0.00 O ATOM 904 ND2 ASN A 67 12.847 -14.443 9.073 1.00 0.00 N ATOM 0 H ASN A 67 11.653 -15.184 5.681 1.00 0.00 H new ATOM 0 HA ASN A 67 13.242 -12.886 4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.395 -12.648 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.771 -12.612 6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.615 -15.179 9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.555 -13.748 9.308 1.00 0.00 H new ATOM 911 N THR A 68 15.364 -14.230 4.720 1.00 0.00 N ATOM 912 CA THR A 68 16.724 -14.742 4.730 1.00 0.00 C ATOM 913 C THR A 68 17.718 -13.634 4.362 1.00 0.00 C ATOM 914 O THR A 68 18.545 -13.782 3.464 1.00 0.00 O ATOM 915 CB THR A 68 16.863 -15.957 3.775 1.00 0.00 C ATOM 916 OG1 THR A 68 18.223 -16.403 3.713 1.00 0.00 O ATOM 917 CG2 THR A 68 16.366 -15.623 2.372 1.00 0.00 C ATOM 0 H THR A 68 15.090 -13.784 3.845 1.00 0.00 H new ATOM 0 HA THR A 68 16.956 -15.083 5.739 1.00 0.00 H new ATOM 0 HB THR A 68 16.244 -16.758 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.805 -15.647 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.478 -16.496 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.315 -15.337 2.417 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.950 -14.797 1.966 1.00 0.00 H new ATOM 925 N GLY A 69 17.623 -12.517 5.069 1.00 0.00 N ATOM 926 CA GLY A 69 18.521 -11.405 4.821 1.00 0.00 C ATOM 927 C GLY A 69 17.785 -10.135 4.444 1.00 0.00 C ATOM 928 O GLY A 69 18.299 -9.317 3.680 1.00 0.00 O ATOM 0 H GLY A 69 16.940 -12.360 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.121 -11.222 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 69 19.211 -11.672 4.021 1.00 0.00 H new ATOM 932 N ASN A 70 16.584 -9.964 4.974 1.00 0.00 N ATOM 933 CA ASN A 70 15.789 -8.784 4.678 1.00 0.00 C ATOM 934 C ASN A 70 15.072 -8.290 5.923 1.00 0.00 C ATOM 935 O ASN A 70 14.709 -9.079 6.793 1.00 0.00 O ATOM 936 CB ASN A 70 14.772 -9.085 3.575 1.00 0.00 C ATOM 937 CG ASN A 70 14.427 -7.848 2.776 1.00 0.00 C ATOM 938 OD1 ASN A 70 13.834 -6.906 3.298 1.00 0.00 O ATOM 939 ND2 ASN A 70 14.798 -7.837 1.508 1.00 0.00 N ATOM 0 H ASN A 70 16.140 -10.626 5.610 1.00 0.00 H new ATOM 0 HA ASN A 70 16.464 -8.001 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.174 -9.848 2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.865 -9.496 4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.594 -7.026 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.288 -8.639 1.113 1.00 0.00 H new ATOM 946 N SER A 71 14.867 -6.984 5.999 1.00 0.00 N ATOM 947 CA SER A 71 14.216 -6.377 7.151 1.00 0.00 C ATOM 948 C SER A 71 12.723 -6.166 6.893 1.00 0.00 C ATOM 949 O SER A 71 11.942 -5.969 7.831 1.00 0.00 O ATOM 950 CB SER A 71 14.887 -5.044 7.490 1.00 0.00 C ATOM 951 OG SER A 71 16.204 -4.984 6.959 1.00 0.00 O ATOM 0 H SER A 71 15.143 -6.322 5.274 1.00 0.00 H new ATOM 0 HA SER A 71 14.320 -7.056 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.293 -4.222 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.922 -4.916 8.572 1.00 0.00 H new ATOM 0 HG SER A 71 16.610 -4.122 7.188 1.00 0.00 H new ATOM 957 N PHE A 72 12.325 -6.213 5.629 1.00 0.00 N ATOM 958 CA PHE A 72 10.928 -6.019 5.268 1.00 0.00 C ATOM 959 C PHE A 72 10.357 -7.296 4.657 1.00 0.00 C ATOM 960 O PHE A 72 11.097 -8.136 4.138 1.00 0.00 O ATOM 961 CB PHE A 72 10.776 -4.807 4.322 1.00 0.00 C ATOM 962 CG PHE A 72 10.455 -5.139 2.888 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.450 -5.539 2.010 1.00 0.00 C ATOM 964 CD2 PHE A 72 9.154 -5.042 2.419 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.156 -5.832 0.692 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.854 -5.335 1.105 1.00 0.00 C ATOM 967 CZ PHE A 72 9.855 -5.733 0.240 1.00 0.00 C ATOM 0 H PHE A 72 12.947 -6.383 4.839 1.00 0.00 H new ATOM 0 HA PHE A 72 10.354 -5.801 6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.990 -4.161 4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.702 -4.232 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.468 -5.623 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.366 -4.733 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.942 -6.138 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.836 -5.253 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.620 -5.966 -0.788 1.00 0.00 H new ATOM 977 N LEU A 73 9.045 -7.447 4.736 1.00 0.00 N ATOM 978 CA LEU A 73 8.384 -8.648 4.250 1.00 0.00 C ATOM 979 C LEU A 73 8.146 -8.567 2.748 1.00 0.00 C ATOM 980 O LEU A 73 7.148 -8.006 2.296 1.00 0.00 O ATOM 981 CB LEU A 73 7.058 -8.851 4.984 1.00 0.00 C ATOM 982 CG LEU A 73 7.188 -9.065 6.493 1.00 0.00 C ATOM 983 CD1 LEU A 73 6.629 -7.872 7.252 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.480 -10.345 6.911 1.00 0.00 C ATOM 0 H LEU A 73 8.415 -6.751 5.133 1.00 0.00 H new ATOM 0 HA LEU A 73 9.034 -9.501 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.424 -7.982 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.547 -9.711 4.552 1.00 0.00 H new ATOM 0 HG LEU A 73 8.246 -9.161 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.730 -8.043 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.180 -6.973 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.576 -7.743 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.582 -10.482 7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.423 -10.277 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.927 -11.194 6.393 1.00 0.00 H new ATOM 996 N ILE A 74 9.074 -9.114 1.981 1.00 0.00 N ATOM 997 CA ILE A 74 8.941 -9.146 0.534 1.00 0.00 C ATOM 998 C ILE A 74 7.911 -10.193 0.126 1.00 0.00 C ATOM 999 O ILE A 74 7.940 -11.328 0.604 1.00 0.00 O ATOM 1000 CB ILE A 74 10.300 -9.427 -0.157 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.122 -9.596 -1.669 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.976 -10.653 0.442 1.00 0.00 C ATOM 1003 CD1 ILE A 74 9.907 -8.290 -2.403 1.00 0.00 C ATOM 0 H ILE A 74 9.929 -9.542 2.337 1.00 0.00 H new ATOM 0 HA ILE A 74 8.601 -8.163 0.206 1.00 0.00 H new ATOM 0 HB ILE A 74 10.944 -8.565 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.003 -10.092 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.272 -10.252 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.927 -10.827 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.153 -10.488 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.333 -11.523 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.789 -8.487 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.010 -7.802 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.768 -7.639 -2.247 1.00 0.00 H new ATOM 1015 N ILE A 75 6.999 -9.803 -0.750 1.00 0.00 N ATOM 1016 CA ILE A 75 5.918 -10.678 -1.161 1.00 0.00 C ATOM 1017 C ILE A 75 6.309 -11.451 -2.410 1.00 0.00 C ATOM 1018 O ILE A 75 6.872 -10.888 -3.350 1.00 0.00 O ATOM 1019 CB ILE A 75 4.622 -9.883 -1.442 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.513 -8.690 -0.489 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.395 -10.782 -1.314 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.532 -7.635 -0.951 1.00 0.00 C ATOM 0 H ILE A 75 6.988 -8.883 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 75 5.731 -11.371 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 75 4.664 -9.510 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.212 -9.048 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.497 -8.235 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.495 -10.201 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.467 -11.600 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.345 -11.188 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.507 -6.820 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.843 -7.249 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.538 -8.075 -1.037 1.00 0.00 H new ATOM 1034 N ASN A 76 6.014 -12.743 -2.410 1.00 0.00 N ATOM 1035 CA ASN A 76 6.282 -13.591 -3.564 1.00 0.00 C ATOM 1036 C ASN A 76 5.422 -13.174 -4.748 1.00 0.00 C ATOM 1037 O ASN A 76 5.717 -13.525 -5.892 1.00 0.00 O ATOM 1038 CB ASN A 76 6.015 -15.061 -3.228 1.00 0.00 C ATOM 1039 CG ASN A 76 7.018 -16.003 -3.872 1.00 0.00 C ATOM 1040 OD1 ASN A 76 7.477 -16.956 -3.246 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.356 -15.755 -5.133 1.00 0.00 N ATOM 0 H ASN A 76 5.587 -13.229 -1.621 1.00 0.00 H new ATOM 0 HA ASN A 76 7.333 -13.473 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.042 -15.193 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.010 -15.327 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.017 -16.365 -5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.954 -14.954 -5.621 1.00 0.00 H new ATOM 1048 N ALA A 77 4.353 -12.427 -4.455 1.00 0.00 N ATOM 1049 CA ALA A 77 3.418 -11.951 -5.472 1.00 0.00 C ATOM 1050 C ALA A 77 2.850 -13.116 -6.276 1.00 0.00 C ATOM 1051 O ALA A 77 2.651 -13.019 -7.485 1.00 0.00 O ATOM 1052 CB ALA A 77 4.091 -10.934 -6.387 1.00 0.00 C ATOM 0 H ALA A 77 4.114 -12.137 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 77 2.588 -11.456 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.378 -10.592 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.433 -10.084 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.944 -11.398 -6.882 1.00 0.00 H new ATOM 1058 N ALA A 78 2.597 -14.221 -5.586 1.00 0.00 N ATOM 1059 CA ALA A 78 2.073 -15.416 -6.227 1.00 0.00 C ATOM 1060 C ALA A 78 0.553 -15.369 -6.302 1.00 0.00 C ATOM 1061 O ALA A 78 -0.031 -15.546 -7.370 1.00 0.00 O ATOM 1062 CB ALA A 78 2.536 -16.657 -5.480 1.00 0.00 C ATOM 0 H ALA A 78 2.747 -14.312 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 78 2.458 -15.458 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.137 -17.546 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.625 -16.698 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.178 -16.617 -4.451 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.083 -15.133 -5.160 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.536 -15.065 -5.100 1.00 0.00 C ATOM 1070 C ASN A 79 -1.978 -13.735 -4.513 1.00 0.00 C ATOM 1071 O ASN A 79 -2.286 -13.654 -3.328 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.090 -16.198 -4.230 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.491 -17.555 -4.551 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.986 -18.277 -5.414 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.421 -17.909 -3.854 1.00 0.00 N ATOM 0 H ASN A 79 0.385 -14.986 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.920 -15.164 -6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.903 -15.966 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.171 -16.248 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.024 -18.811 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.042 -17.280 -3.147 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.003 -12.692 -5.318 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.376 -11.381 -4.816 1.00 0.00 C ATOM 1084 C CYS A 80 -3.657 -10.887 -5.483 1.00 0.00 C ATOM 1085 O CYS A 80 -3.790 -10.909 -6.709 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.233 -10.388 -5.023 1.00 0.00 C ATOM 1087 SG CYS A 80 0.184 -10.646 -3.896 1.00 0.00 S ATOM 0 H CYS A 80 -1.773 -12.723 -6.311 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.569 -11.464 -3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.884 -10.460 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.614 -9.376 -4.886 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.597 -10.451 -4.659 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.893 -9.978 -5.126 1.00 0.00 C ATOM 1094 C VAL A 81 -6.262 -8.673 -4.431 1.00 0.00 C ATOM 1095 O VAL A 81 -5.718 -8.348 -3.372 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.013 -11.016 -4.869 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.151 -11.964 -6.047 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.760 -11.788 -3.583 1.00 0.00 C ATOM 0 H VAL A 81 -4.484 -10.415 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.807 -9.820 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.952 -10.474 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.944 -12.684 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.398 -11.396 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.211 -12.493 -6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.562 -12.510 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.808 -12.314 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.728 -11.095 -2.743 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.176 -7.927 -5.027 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.615 -6.666 -4.461 1.00 0.00 C ATOM 1110 C ALA A 82 -9.128 -6.652 -4.313 1.00 0.00 C ATOM 1111 O ALA A 82 -9.777 -7.611 -4.784 1.00 0.00 O ATOM 1112 CB ALA A 82 -7.148 -5.508 -5.329 1.00 0.00 C ATOM 1113 OXT ALA A 82 -9.666 -5.690 -3.734 1.00 0.00 O ATOM 0 H ALA A 82 -7.629 -8.175 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.173 -6.553 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.484 -4.567 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.060 -5.512 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.565 -5.613 -6.331 1.00 0.00 H new