USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 39 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.0859 K(o=1.2,f=-6.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 33:sc= 0.209 USER MOD Single : A 19 ASN : amide:sc=-0.00989 K(o=-0.0099,f=-1.7!) USER MOD Single : A 21 MET CE :methyl 161:sc= -0.219 (180deg=-0.743) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 2.44 (180deg=2.34) USER MOD Single : A 28 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.9!) USER MOD Single : A 30 HIS : no HE2:sc= -0.599 K(o=-0.6,f=-4.5!) USER MOD Single : A 35 HIS : no HE2:sc= 0.376 K(o=0.38,f=-2.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0.211 (180deg=0.211) USER MOD Single : A 54 THR OG1 : rot -49:sc= 1.2 USER MOD Single : A 57 MET CE :methyl 149:sc= -2.23 (180deg=-3.95!) USER MOD Single : A 58 SER OG : rot -63:sc= 1.19 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -105:sc= 1.3 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 7.477 -9.369 6.446 1.00 0.00 N ATOM 82 CA VAL A 6 6.671 -8.304 5.951 1.00 0.00 C ATOM 83 C VAL A 6 6.305 -8.729 4.542 1.00 0.00 C ATOM 84 O VAL A 6 7.103 -9.402 3.887 1.00 0.00 O ATOM 85 CB VAL A 6 7.470 -6.953 5.905 1.00 0.00 C ATOM 86 CG1 VAL A 6 6.601 -5.805 5.416 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.066 -6.611 7.267 1.00 0.00 C ATOM 0 HA VAL A 6 5.803 -8.130 6.587 1.00 0.00 H new ATOM 0 HB VAL A 6 8.285 -7.093 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.188 -4.887 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.239 -6.025 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.752 -5.679 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.612 -5.670 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.266 -6.514 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.747 -7.404 7.576 1.00 0.00 H new ATOM 97 N ILE A 7 5.125 -8.414 4.106 1.00 0.00 N ATOM 98 CA ILE A 7 4.679 -8.788 2.789 1.00 0.00 C ATOM 99 C ILE A 7 4.712 -7.556 1.914 1.00 0.00 C ATOM 100 O ILE A 7 4.299 -6.469 2.354 1.00 0.00 O ATOM 101 CB ILE A 7 3.214 -9.342 2.818 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.066 -10.488 3.832 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.779 -9.816 1.434 1.00 0.00 C ATOM 104 CD1 ILE A 7 3.925 -11.701 3.541 1.00 0.00 C ATOM 0 H ILE A 7 4.439 -7.890 4.649 1.00 0.00 H new ATOM 0 HA ILE A 7 5.334 -9.570 2.405 1.00 0.00 H new ATOM 0 HB ILE A 7 2.567 -8.522 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.315 -10.112 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.021 -10.797 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.758 -10.195 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.823 -8.982 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.445 -10.610 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.756 -12.458 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.662 -12.107 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.976 -11.411 3.542 1.00 0.00 H new ATOM 116 N GLU A 8 5.204 -7.705 0.719 1.00 0.00 N ATOM 117 CA GLU A 8 5.235 -6.633 -0.219 1.00 0.00 C ATOM 118 C GLU A 8 4.094 -6.834 -1.198 1.00 0.00 C ATOM 119 O GLU A 8 4.043 -7.834 -1.914 1.00 0.00 O ATOM 120 CB GLU A 8 6.572 -6.606 -0.985 1.00 0.00 C ATOM 121 CG GLU A 8 7.817 -6.718 -0.104 1.00 0.00 C ATOM 122 CD GLU A 8 8.339 -8.150 0.043 1.00 0.00 C ATOM 123 OE1 GLU A 8 7.565 -9.084 0.378 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.541 -8.368 -0.209 1.00 0.00 O ATOM 0 H GLU A 8 5.596 -8.580 0.371 1.00 0.00 H new ATOM 0 HA GLU A 8 5.133 -5.685 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.579 -7.424 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.630 -5.679 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.606 -6.094 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.589 -6.320 0.885 1.00 0.00 H new ATOM 131 N LEU A 9 3.180 -5.907 -1.189 1.00 0.00 N ATOM 132 CA LEU A 9 1.999 -5.942 -2.029 1.00 0.00 C ATOM 133 C LEU A 9 1.984 -4.694 -2.875 1.00 0.00 C ATOM 134 O LEU A 9 2.690 -3.723 -2.562 1.00 0.00 O ATOM 135 CB LEU A 9 0.717 -6.006 -1.172 1.00 0.00 C ATOM 136 CG LEU A 9 0.535 -7.245 -0.275 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.790 -7.176 0.456 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.614 -8.523 -1.098 1.00 0.00 C ATOM 0 H LEU A 9 3.228 -5.085 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 9 2.027 -6.831 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.690 -5.121 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.141 -5.944 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 9 1.342 -7.257 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.904 -8.058 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.817 -6.281 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.604 -7.139 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.483 -9.385 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.171 -8.518 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.587 -8.582 -1.586 1.00 0.00 H new ATOM 150 N GLU A 10 1.236 -4.696 -3.934 1.00 0.00 N ATOM 151 CA GLU A 10 1.161 -3.528 -4.763 1.00 0.00 C ATOM 152 C GLU A 10 -0.264 -3.105 -4.956 1.00 0.00 C ATOM 153 O GLU A 10 -1.094 -3.847 -5.474 1.00 0.00 O ATOM 154 CB GLU A 10 1.875 -3.674 -6.104 1.00 0.00 C ATOM 155 CG GLU A 10 3.374 -3.897 -5.994 1.00 0.00 C ATOM 156 CD GLU A 10 4.078 -3.454 -7.235 1.00 0.00 C ATOM 157 OE1 GLU A 10 4.077 -4.187 -8.244 1.00 0.00 O ATOM 158 OE2 GLU A 10 4.564 -2.305 -7.261 1.00 0.00 O ATOM 0 H GLU A 10 0.671 -5.486 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 10 1.698 -2.745 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.434 -4.510 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.696 -2.777 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.764 -3.349 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.575 -4.953 -5.816 1.00 0.00 H new ATOM 165 N GLY A 11 -0.539 -1.899 -4.579 1.00 0.00 N ATOM 166 CA GLY A 11 -1.869 -1.427 -4.640 1.00 0.00 C ATOM 167 C GLY A 11 -2.004 -0.237 -5.525 1.00 0.00 C ATOM 168 O GLY A 11 -1.007 0.351 -5.967 1.00 0.00 O ATOM 0 H GLY A 11 0.144 -1.229 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.519 -2.223 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.208 -1.171 -3.636 1.00 0.00 H new ATOM 172 N THR A 12 -3.213 0.125 -5.771 1.00 0.00 N ATOM 173 CA THR A 12 -3.533 1.247 -6.582 1.00 0.00 C ATOM 174 C THR A 12 -4.174 2.292 -5.695 1.00 0.00 C ATOM 175 O THR A 12 -5.119 1.998 -4.961 1.00 0.00 O ATOM 176 CB THR A 12 -4.514 0.828 -7.676 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.986 -0.336 -8.332 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.694 1.945 -8.695 1.00 0.00 C ATOM 0 H THR A 12 -4.029 -0.364 -5.404 1.00 0.00 H new ATOM 0 HA THR A 12 -2.635 1.646 -7.053 1.00 0.00 H new ATOM 0 HB THR A 12 -5.485 0.613 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.603 -0.622 -9.038 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.396 1.625 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.082 2.833 -8.196 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.733 2.177 -9.154 1.00 0.00 H new ATOM 186 N VAL A 13 -3.663 3.479 -5.730 1.00 0.00 N ATOM 187 CA VAL A 13 -4.182 4.522 -4.889 1.00 0.00 C ATOM 188 C VAL A 13 -5.314 5.242 -5.562 1.00 0.00 C ATOM 189 O VAL A 13 -5.187 5.675 -6.689 1.00 0.00 O ATOM 190 CB VAL A 13 -3.080 5.494 -4.362 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.156 5.936 -5.461 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.689 6.696 -3.648 1.00 0.00 C ATOM 0 H VAL A 13 -2.886 3.757 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.583 4.040 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.487 4.938 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.403 6.611 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.665 5.065 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.728 6.453 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.893 7.351 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.329 7.244 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.281 6.354 -2.799 1.00 0.00 H new ATOM 202 N LEU A 14 -6.420 5.333 -4.884 1.00 0.00 N ATOM 203 CA LEU A 14 -7.588 5.962 -5.443 1.00 0.00 C ATOM 204 C LEU A 14 -7.806 7.346 -4.884 1.00 0.00 C ATOM 205 O LEU A 14 -8.257 8.226 -5.591 1.00 0.00 O ATOM 206 CB LEU A 14 -8.846 5.092 -5.301 1.00 0.00 C ATOM 207 CG LEU A 14 -8.833 3.747 -6.054 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.166 3.036 -5.903 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.502 3.943 -7.529 1.00 0.00 C ATOM 0 H LEU A 14 -6.542 4.978 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.397 6.070 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.005 4.890 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.703 5.670 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.054 3.126 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.136 2.089 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.360 2.847 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.960 3.661 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.500 2.977 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.250 4.590 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.518 4.403 -7.623 1.00 0.00 H new ATOM 221 N ASP A 15 -7.471 7.551 -3.632 1.00 0.00 N ATOM 222 CA ASP A 15 -7.743 8.835 -3.004 1.00 0.00 C ATOM 223 C ASP A 15 -6.498 9.330 -2.287 1.00 0.00 C ATOM 224 O ASP A 15 -5.694 8.532 -1.774 1.00 0.00 O ATOM 225 CB ASP A 15 -8.897 8.729 -1.999 1.00 0.00 C ATOM 226 CG ASP A 15 -10.226 8.220 -2.579 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.405 6.959 -2.697 1.00 0.00 O ATOM 228 OD2 ASP A 15 -11.098 9.039 -2.864 1.00 0.00 O ATOM 0 H ASP A 15 -7.017 6.863 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.029 9.539 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.593 8.064 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.064 9.711 -1.558 1.00 0.00 H new ATOM 233 N THR A 16 -6.339 10.619 -2.232 1.00 0.00 N ATOM 234 CA THR A 16 -5.180 11.230 -1.622 1.00 0.00 C ATOM 235 C THR A 16 -5.511 11.720 -0.214 1.00 0.00 C ATOM 236 O THR A 16 -6.495 12.438 -0.021 1.00 0.00 O ATOM 237 CB THR A 16 -4.716 12.412 -2.486 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.854 13.241 -2.790 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.094 11.920 -3.783 1.00 0.00 C ATOM 0 H THR A 16 -7.011 11.287 -2.610 1.00 0.00 H new ATOM 0 HA THR A 16 -4.384 10.488 -1.552 1.00 0.00 H new ATOM 0 HB THR A 16 -3.966 12.980 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.484 13.220 -2.039 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.773 12.774 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.233 11.290 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.829 11.343 -4.343 1.00 0.00 H new ATOM 247 N LEU A 17 -4.702 11.342 0.753 1.00 0.00 N ATOM 248 CA LEU A 17 -4.946 11.709 2.128 1.00 0.00 C ATOM 249 C LEU A 17 -3.901 12.732 2.611 1.00 0.00 C ATOM 250 O LEU A 17 -2.782 12.784 2.094 1.00 0.00 O ATOM 251 CB LEU A 17 -4.933 10.474 3.049 1.00 0.00 C ATOM 252 CG LEU A 17 -5.953 9.355 2.778 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.854 8.296 3.862 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.371 9.905 2.689 1.00 0.00 C ATOM 0 H LEU A 17 -3.865 10.777 0.609 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.936 12.162 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.937 10.035 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.082 10.820 4.072 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.719 8.902 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.578 7.506 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.849 7.874 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.063 8.747 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.067 9.088 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.633 10.391 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.430 10.630 1.877 1.00 0.00 H new ATOM 266 N PRO A 18 -4.269 13.602 3.558 1.00 0.00 N ATOM 267 CA PRO A 18 -3.339 14.562 4.156 1.00 0.00 C ATOM 268 C PRO A 18 -2.252 13.877 5.009 1.00 0.00 C ATOM 269 O PRO A 18 -2.432 12.744 5.484 1.00 0.00 O ATOM 270 CB PRO A 18 -4.233 15.441 5.050 1.00 0.00 C ATOM 271 CG PRO A 18 -5.625 15.165 4.602 1.00 0.00 C ATOM 272 CD PRO A 18 -5.623 13.752 4.118 1.00 0.00 C ATOM 0 HA PRO A 18 -2.800 15.120 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.102 15.193 6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.985 16.497 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.333 15.297 5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.924 15.850 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.806 13.046 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.393 13.581 3.366 1.00 0.00 H new ATOM 280 N ASN A 19 -1.103 14.553 5.128 1.00 0.00 N ATOM 281 CA ASN A 19 0.026 14.123 5.992 1.00 0.00 C ATOM 282 C ASN A 19 0.773 12.926 5.433 1.00 0.00 C ATOM 283 O ASN A 19 1.266 12.070 6.193 1.00 0.00 O ATOM 284 CB ASN A 19 -0.417 13.869 7.462 1.00 0.00 C ATOM 285 CG ASN A 19 -0.852 15.133 8.196 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.355 16.077 7.600 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.663 15.159 9.494 1.00 0.00 N ATOM 0 H ASN A 19 -0.920 15.422 4.627 1.00 0.00 H new ATOM 0 HA ASN A 19 0.724 14.960 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.241 13.155 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.407 13.408 8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.937 15.980 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.242 14.358 9.964 1.00 0.00 H new ATOM 294 N ALA A 20 0.883 12.885 4.097 1.00 0.00 N ATOM 295 CA ALA A 20 1.643 11.856 3.365 1.00 0.00 C ATOM 296 C ALA A 20 1.004 10.477 3.526 1.00 0.00 C ATOM 297 O ALA A 20 1.673 9.430 3.422 1.00 0.00 O ATOM 298 CB ALA A 20 3.116 11.848 3.804 1.00 0.00 C ATOM 0 H ALA A 20 0.442 13.572 3.486 1.00 0.00 H new ATOM 0 HA ALA A 20 1.614 12.106 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.657 11.080 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.561 12.822 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.176 11.635 4.871 1.00 0.00 H new ATOM 304 N MET A 21 -0.281 10.480 3.784 1.00 0.00 N ATOM 305 CA MET A 21 -1.044 9.271 3.869 1.00 0.00 C ATOM 306 C MET A 21 -1.751 9.122 2.552 1.00 0.00 C ATOM 307 O MET A 21 -2.017 10.105 1.884 1.00 0.00 O ATOM 308 CB MET A 21 -2.105 9.350 4.977 1.00 0.00 C ATOM 309 CG MET A 21 -2.063 8.229 6.003 1.00 0.00 C ATOM 310 SD MET A 21 -0.607 8.283 7.088 1.00 0.00 S ATOM 311 CE MET A 21 -0.874 9.864 7.919 1.00 0.00 C ATOM 0 H MET A 21 -0.825 11.329 3.941 1.00 0.00 H new ATOM 0 HA MET A 21 -0.383 8.434 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.991 10.301 5.498 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.091 9.357 4.512 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.963 8.276 6.616 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.081 7.272 5.482 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.282 9.899 8.834 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.571 10.677 7.260 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.930 9.972 8.166 1.00 0.00 H new ATOM 321 N PHE A 22 -2.026 7.941 2.162 1.00 0.00 N ATOM 322 CA PHE A 22 -2.755 7.710 0.953 1.00 0.00 C ATOM 323 C PHE A 22 -3.752 6.627 1.176 1.00 0.00 C ATOM 324 O PHE A 22 -3.513 5.704 1.966 1.00 0.00 O ATOM 325 CB PHE A 22 -1.832 7.390 -0.246 1.00 0.00 C ATOM 326 CG PHE A 22 -1.031 8.571 -0.731 1.00 0.00 C ATOM 327 CD1 PHE A 22 -1.567 9.447 -1.662 1.00 0.00 C ATOM 328 CD2 PHE A 22 0.242 8.815 -0.249 1.00 0.00 C ATOM 329 CE1 PHE A 22 -0.845 10.540 -2.099 1.00 0.00 C ATOM 330 CE2 PHE A 22 0.966 9.908 -0.682 1.00 0.00 C ATOM 331 CZ PHE A 22 0.422 10.770 -1.609 1.00 0.00 C ATOM 0 H PHE A 22 -1.757 7.095 2.664 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.276 8.631 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.147 6.591 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.439 7.012 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.560 9.273 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.676 8.142 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.274 11.215 -2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.958 10.087 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.988 11.624 -1.951 1.00 0.00 H new ATOM 341 N LYS A 23 -4.874 6.761 0.545 1.00 0.00 N ATOM 342 CA LYS A 23 -5.912 5.790 0.625 1.00 0.00 C ATOM 343 C LYS A 23 -5.771 4.933 -0.605 1.00 0.00 C ATOM 344 O LYS A 23 -6.020 5.373 -1.748 1.00 0.00 O ATOM 345 CB LYS A 23 -7.273 6.513 0.767 1.00 0.00 C ATOM 346 CG LYS A 23 -8.546 5.657 0.806 1.00 0.00 C ATOM 347 CD LYS A 23 -8.931 5.198 -0.577 1.00 0.00 C ATOM 348 CE LYS A 23 -10.302 4.592 -0.636 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.683 4.388 -2.037 1.00 0.00 N ATOM 0 H LYS A 23 -5.096 7.560 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.849 5.141 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.242 7.106 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.367 7.213 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.387 4.791 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.362 6.233 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.885 6.046 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.202 4.467 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.315 3.642 -0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.022 5.245 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.552 3.818 -2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.851 5.310 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.917 3.892 -2.536 1.00 0.00 H new ATOM 363 N VAL A 24 -5.288 3.767 -0.383 1.00 0.00 N ATOM 364 CA VAL A 24 -4.916 2.884 -1.458 1.00 0.00 C ATOM 365 C VAL A 24 -5.710 1.594 -1.359 1.00 0.00 C ATOM 366 O VAL A 24 -6.099 1.194 -0.277 1.00 0.00 O ATOM 367 CB VAL A 24 -3.368 2.575 -1.385 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.845 1.808 -2.576 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.545 3.834 -1.140 1.00 0.00 C ATOM 0 H VAL A 24 -5.133 3.383 0.549 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.136 3.364 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.249 1.918 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.776 1.633 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.363 0.852 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.018 2.385 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.487 3.575 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.712 4.542 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.846 4.287 -0.196 1.00 0.00 H new ATOM 379 N GLU A 25 -5.989 0.992 -2.476 1.00 0.00 N ATOM 380 CA GLU A 25 -6.595 -0.303 -2.495 1.00 0.00 C ATOM 381 C GLU A 25 -5.601 -1.315 -2.984 1.00 0.00 C ATOM 382 O GLU A 25 -4.889 -1.079 -3.964 1.00 0.00 O ATOM 383 CB GLU A 25 -7.870 -0.368 -3.341 1.00 0.00 C ATOM 384 CG GLU A 25 -9.152 -0.027 -2.595 1.00 0.00 C ATOM 385 CD GLU A 25 -9.227 1.413 -2.101 1.00 0.00 C ATOM 386 OE1 GLU A 25 -9.335 2.339 -2.940 1.00 0.00 O ATOM 387 OE2 GLU A 25 -9.209 1.649 -0.891 1.00 0.00 O ATOM 0 H GLU A 25 -5.803 1.385 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.895 -0.526 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.765 0.315 -4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.964 -1.372 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.002 -0.218 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.251 -0.697 -1.741 1.00 0.00 H new ATOM 394 N LEU A 26 -5.518 -2.406 -2.279 1.00 0.00 N ATOM 395 CA LEU A 26 -4.643 -3.515 -2.640 1.00 0.00 C ATOM 396 C LEU A 26 -5.120 -4.191 -3.916 1.00 0.00 C ATOM 397 O LEU A 26 -6.250 -3.976 -4.365 1.00 0.00 O ATOM 398 CB LEU A 26 -4.626 -4.562 -1.519 1.00 0.00 C ATOM 399 CG LEU A 26 -3.932 -4.183 -0.223 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.119 -5.283 0.810 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.452 -3.951 -0.473 1.00 0.00 C ATOM 0 H LEU A 26 -6.056 -2.565 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.643 -3.109 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.658 -4.823 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.150 -5.463 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.375 -3.262 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.618 -5.002 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.183 -5.425 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.691 -6.212 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.963 -3.680 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.002 -4.863 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.327 -3.144 -1.195 1.00 0.00 H new ATOM 413 N GLU A 27 -4.294 -5.078 -4.433 1.00 0.00 N ATOM 414 CA GLU A 27 -4.607 -5.873 -5.598 1.00 0.00 C ATOM 415 C GLU A 27 -5.638 -6.914 -5.167 1.00 0.00 C ATOM 416 O GLU A 27 -6.379 -7.475 -5.967 1.00 0.00 O ATOM 417 CB GLU A 27 -3.326 -6.557 -6.154 1.00 0.00 C ATOM 418 CG GLU A 27 -2.618 -7.529 -5.186 1.00 0.00 C ATOM 419 CD GLU A 27 -1.970 -6.871 -3.988 1.00 0.00 C ATOM 420 OE1 GLU A 27 -2.694 -6.623 -2.994 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.770 -6.580 -4.037 1.00 0.00 O ATOM 0 H GLU A 27 -3.370 -5.268 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.006 -5.249 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.591 -7.102 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.618 -5.781 -6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.344 -8.261 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.855 -8.078 -5.738 1.00 0.00 H new ATOM 428 N ASN A 28 -5.657 -7.133 -3.858 1.00 0.00 N ATOM 429 CA ASN A 28 -6.604 -7.992 -3.179 1.00 0.00 C ATOM 430 C ASN A 28 -7.999 -7.325 -3.099 1.00 0.00 C ATOM 431 O ASN A 28 -8.980 -7.960 -2.740 1.00 0.00 O ATOM 432 CB ASN A 28 -6.032 -8.305 -1.767 1.00 0.00 C ATOM 433 CG ASN A 28 -6.978 -9.043 -0.825 1.00 0.00 C ATOM 434 OD1 ASN A 28 -7.689 -8.425 -0.033 1.00 0.00 O ATOM 435 ND2 ASN A 28 -6.983 -10.352 -0.887 1.00 0.00 N ATOM 0 H ASN A 28 -4.987 -6.699 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.741 -8.921 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.127 -8.900 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.738 -7.367 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.589 -10.890 -0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.381 -10.833 -1.555 1.00 0.00 H new ATOM 442 N GLY A 29 -8.082 -6.051 -3.493 1.00 0.00 N ATOM 443 CA GLY A 29 -9.360 -5.355 -3.490 1.00 0.00 C ATOM 444 C GLY A 29 -9.720 -4.785 -2.134 1.00 0.00 C ATOM 445 O GLY A 29 -10.843 -4.364 -1.913 1.00 0.00 O ATOM 0 H GLY A 29 -7.290 -5.493 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.329 -4.547 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.143 -6.043 -3.808 1.00 0.00 H new ATOM 449 N HIS A 30 -8.773 -4.796 -1.227 1.00 0.00 N ATOM 450 CA HIS A 30 -8.998 -4.334 0.113 1.00 0.00 C ATOM 451 C HIS A 30 -8.569 -2.896 0.200 1.00 0.00 C ATOM 452 O HIS A 30 -7.671 -2.475 -0.529 1.00 0.00 O ATOM 453 CB HIS A 30 -8.156 -5.153 1.086 1.00 0.00 C ATOM 454 CG HIS A 30 -8.588 -5.035 2.524 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.737 -4.672 3.547 1.00 0.00 N ATOM 456 CD2 HIS A 30 -9.802 -5.179 3.089 1.00 0.00 C ATOM 457 CE1 HIS A 30 -8.419 -4.585 4.665 1.00 0.00 C ATOM 458 NE2 HIS A 30 -9.677 -4.879 4.418 1.00 0.00 N ATOM 0 H HIS A 30 -7.824 -5.127 -1.402 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.053 -4.438 0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.196 -6.201 0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.116 -4.838 1.003 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.737 -4.499 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.709 -5.477 2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.014 -4.316 5.629 1.00 0.00 H new ATOM 467 N GLU A 31 -9.107 -2.210 1.138 1.00 0.00 N ATOM 468 CA GLU A 31 -8.821 -0.847 1.372 1.00 0.00 C ATOM 469 C GLU A 31 -7.729 -0.785 2.417 1.00 0.00 C ATOM 470 O GLU A 31 -7.718 -1.570 3.388 1.00 0.00 O ATOM 471 CB GLU A 31 -10.099 -0.133 1.900 1.00 0.00 C ATOM 472 CG GLU A 31 -10.587 -0.551 3.324 1.00 0.00 C ATOM 473 CD GLU A 31 -10.994 -2.015 3.496 1.00 0.00 C ATOM 474 OE1 GLU A 31 -11.355 -2.670 2.509 1.00 0.00 O ATOM 475 OE2 GLU A 31 -10.871 -2.555 4.625 1.00 0.00 O ATOM 0 H GLU A 31 -9.787 -2.600 1.790 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.501 -0.353 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.914 0.941 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.909 -0.315 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.792 -0.330 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.438 0.075 3.592 1.00 0.00 H new ATOM 482 N ILE A 32 -6.770 0.045 2.189 1.00 0.00 N ATOM 483 CA ILE A 32 -5.671 0.185 3.092 1.00 0.00 C ATOM 484 C ILE A 32 -5.307 1.642 3.243 1.00 0.00 C ATOM 485 O ILE A 32 -5.419 2.444 2.302 1.00 0.00 O ATOM 486 CB ILE A 32 -4.400 -0.605 2.621 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.989 -0.168 1.229 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.657 -2.098 2.639 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.639 -0.659 0.778 1.00 0.00 C ATOM 0 H ILE A 32 -6.722 0.650 1.369 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.995 -0.232 4.046 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.589 -0.383 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.740 -0.515 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.994 0.921 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.762 -2.625 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.910 -2.411 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.484 -2.333 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.437 -0.294 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.872 -0.290 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.630 -1.749 0.777 1.00 0.00 H new ATOM 501 N LEU A 33 -4.883 1.999 4.403 1.00 0.00 N ATOM 502 CA LEU A 33 -4.408 3.321 4.608 1.00 0.00 C ATOM 503 C LEU A 33 -2.927 3.222 4.612 1.00 0.00 C ATOM 504 O LEU A 33 -2.327 2.522 5.444 1.00 0.00 O ATOM 505 CB LEU A 33 -4.933 3.877 5.930 1.00 0.00 C ATOM 506 CG LEU A 33 -6.457 3.975 6.036 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.874 4.414 7.429 1.00 0.00 C ATOM 508 CD2 LEU A 33 -7.009 4.941 4.993 1.00 0.00 C ATOM 0 H LEU A 33 -4.855 1.395 5.224 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.751 4.002 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.568 3.247 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.510 4.870 6.082 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.871 2.985 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.961 4.477 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.517 3.689 8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.444 5.391 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.094 4.996 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.581 5.931 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.748 4.588 3.996 1.00 0.00 H new ATOM 520 N ALA A 34 -2.328 3.942 3.759 1.00 0.00 N ATOM 521 CA ALA A 34 -0.932 3.825 3.546 1.00 0.00 C ATOM 522 C ALA A 34 -0.227 5.118 3.818 1.00 0.00 C ATOM 523 O ALA A 34 -0.855 6.159 3.892 1.00 0.00 O ATOM 524 CB ALA A 34 -0.693 3.358 2.141 1.00 0.00 C ATOM 0 H ALA A 34 -2.789 4.641 3.176 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.523 3.094 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.379 3.264 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.171 2.389 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.113 4.080 1.441 1.00 0.00 H new ATOM 530 N HIS A 35 1.049 5.039 4.054 1.00 0.00 N ATOM 531 CA HIS A 35 1.863 6.211 4.278 1.00 0.00 C ATOM 532 C HIS A 35 3.143 6.073 3.472 1.00 0.00 C ATOM 533 O HIS A 35 3.776 5.023 3.489 1.00 0.00 O ATOM 534 CB HIS A 35 2.166 6.366 5.787 1.00 0.00 C ATOM 535 CG HIS A 35 2.980 7.584 6.165 1.00 0.00 C ATOM 536 ND1 HIS A 35 2.433 8.832 6.367 1.00 0.00 N ATOM 537 CD2 HIS A 35 4.303 7.722 6.403 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.380 9.680 6.708 1.00 0.00 C ATOM 539 NE2 HIS A 35 4.527 9.033 6.738 1.00 0.00 N ATOM 0 H HIS A 35 1.563 4.159 4.098 1.00 0.00 H new ATOM 0 HA HIS A 35 1.333 7.107 3.954 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.220 6.400 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.696 5.476 6.127 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.445 9.064 6.267 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.048 6.942 6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.240 10.728 6.926 1.00 0.00 H new ATOM 548 N VAL A 36 3.516 7.110 2.784 1.00 0.00 N ATOM 549 CA VAL A 36 4.722 7.094 1.972 1.00 0.00 C ATOM 550 C VAL A 36 5.952 7.381 2.809 1.00 0.00 C ATOM 551 O VAL A 36 5.877 8.074 3.838 1.00 0.00 O ATOM 552 CB VAL A 36 4.664 8.052 0.759 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.629 7.577 -0.244 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.369 9.482 1.193 1.00 0.00 C ATOM 0 H VAL A 36 3.005 7.992 2.761 1.00 0.00 H new ATOM 0 HA VAL A 36 4.790 6.083 1.569 1.00 0.00 H new ATOM 0 HB VAL A 36 5.644 8.044 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.602 8.263 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.892 6.579 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.648 7.548 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.335 10.129 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.408 9.516 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.153 9.826 1.868 1.00 0.00 H new ATOM 564 N SER A 37 7.057 6.784 2.422 1.00 0.00 N ATOM 565 CA SER A 37 8.307 6.930 3.122 1.00 0.00 C ATOM 566 C SER A 37 8.791 8.380 3.058 1.00 0.00 C ATOM 567 O SER A 37 8.349 9.169 2.202 1.00 0.00 O ATOM 568 CB SER A 37 9.374 6.017 2.501 1.00 0.00 C ATOM 569 OG SER A 37 9.744 6.478 1.207 1.00 0.00 O ATOM 0 H SER A 37 7.110 6.178 1.603 1.00 0.00 H new ATOM 0 HA SER A 37 8.147 6.649 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.252 5.986 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.992 4.998 2.433 1.00 0.00 H new ATOM 0 HG SER A 37 10.426 5.883 0.830 1.00 0.00 H new ATOM 575 N GLY A 38 9.682 8.730 3.968 1.00 0.00 N ATOM 576 CA GLY A 38 10.246 10.053 3.985 1.00 0.00 C ATOM 577 C GLY A 38 11.019 10.373 2.718 1.00 0.00 C ATOM 578 O GLY A 38 11.165 11.529 2.380 1.00 0.00 O ATOM 0 H GLY A 38 10.026 8.111 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.447 10.783 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.908 10.151 4.845 1.00 0.00 H new ATOM 582 N LYS A 39 11.438 9.337 1.975 1.00 0.00 N ATOM 583 CA LYS A 39 12.243 9.538 0.779 1.00 0.00 C ATOM 584 C LYS A 39 11.329 10.139 -0.294 1.00 0.00 C ATOM 585 O LYS A 39 11.713 11.038 -1.039 1.00 0.00 O ATOM 586 CB LYS A 39 12.835 8.171 0.325 1.00 0.00 C ATOM 587 CG LYS A 39 14.069 8.232 -0.600 1.00 0.00 C ATOM 588 CD LYS A 39 13.786 8.865 -1.950 1.00 0.00 C ATOM 589 CE LYS A 39 15.039 8.961 -2.794 1.00 0.00 C ATOM 590 NZ LYS A 39 14.776 9.668 -4.066 1.00 0.00 N ATOM 0 H LYS A 39 11.230 8.361 2.186 1.00 0.00 H new ATOM 0 HA LYS A 39 13.078 10.214 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.103 7.602 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.051 7.612 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.858 8.795 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.447 7.221 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.035 8.277 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.367 9.861 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.816 9.486 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.417 7.960 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.677 9.973 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.286 9.029 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.180 10.501 -3.884 1.00 0.00 H new ATOM 604 N ILE A 40 10.120 9.643 -0.324 1.00 0.00 N ATOM 605 CA ILE A 40 9.101 10.107 -1.226 1.00 0.00 C ATOM 606 C ILE A 40 8.555 11.460 -0.774 1.00 0.00 C ATOM 607 O ILE A 40 8.412 12.360 -1.573 1.00 0.00 O ATOM 608 CB ILE A 40 7.979 9.021 -1.379 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.470 7.922 -2.331 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.633 9.590 -1.838 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.533 6.739 -2.459 1.00 0.00 C ATOM 0 H ILE A 40 9.811 8.890 0.291 1.00 0.00 H new ATOM 0 HA ILE A 40 9.536 10.261 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 40 7.791 8.603 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.624 8.356 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.440 7.565 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.906 8.782 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.280 10.322 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.753 10.072 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.958 6.011 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.397 6.275 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.568 7.078 -2.837 1.00 0.00 H new ATOM 623 N ARG A 41 8.336 11.607 0.525 1.00 0.00 N ATOM 624 CA ARG A 41 7.782 12.841 1.088 1.00 0.00 C ATOM 625 C ARG A 41 8.748 14.029 0.830 1.00 0.00 C ATOM 626 O ARG A 41 8.315 15.156 0.573 1.00 0.00 O ATOM 627 CB ARG A 41 7.560 12.652 2.620 1.00 0.00 C ATOM 628 CG ARG A 41 6.521 13.595 3.281 1.00 0.00 C ATOM 629 CD ARG A 41 6.900 15.080 3.258 1.00 0.00 C ATOM 630 NE ARG A 41 8.065 15.411 4.117 1.00 0.00 N ATOM 631 CZ ARG A 41 8.968 16.384 3.842 1.00 0.00 C ATOM 632 NH1 ARG A 41 9.044 16.902 2.610 1.00 0.00 N ATOM 633 NH2 ARG A 41 9.842 16.777 4.782 1.00 0.00 N ATOM 0 H ARG A 41 8.534 10.884 1.217 1.00 0.00 H new ATOM 0 HA ARG A 41 6.829 13.061 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.250 11.622 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.517 12.788 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.564 13.470 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.377 13.286 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.121 15.374 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.042 15.670 3.581 1.00 0.00 H new ATOM 0 HE ARG A 41 8.195 14.870 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.422 16.565 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.724 17.634 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.827 16.343 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.521 17.509 4.573 1.00 0.00 H new ATOM 647 N MET A 42 10.044 13.774 0.951 1.00 0.00 N ATOM 648 CA MET A 42 11.067 14.813 0.787 1.00 0.00 C ATOM 649 C MET A 42 11.316 15.206 -0.662 1.00 0.00 C ATOM 650 O MET A 42 11.885 16.266 -0.926 1.00 0.00 O ATOM 651 CB MET A 42 12.393 14.439 1.465 1.00 0.00 C ATOM 652 CG MET A 42 12.317 14.333 2.981 1.00 0.00 C ATOM 653 SD MET A 42 13.903 13.920 3.732 1.00 0.00 S ATOM 654 CE MET A 42 13.458 13.818 5.464 1.00 0.00 C ATOM 0 H MET A 42 10.420 12.850 1.164 1.00 0.00 H new ATOM 0 HA MET A 42 10.651 15.686 1.289 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.736 13.486 1.063 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.144 15.184 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.962 15.279 3.390 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.583 13.574 3.251 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.341 13.569 6.052 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.060 14.778 5.795 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.701 13.045 5.600 1.00 0.00 H new ATOM 664 N ASN A 43 10.926 14.378 -1.596 1.00 0.00 N ATOM 665 CA ASN A 43 11.227 14.667 -2.984 1.00 0.00 C ATOM 666 C ASN A 43 10.003 15.086 -3.761 1.00 0.00 C ATOM 667 O ASN A 43 8.882 14.988 -3.279 1.00 0.00 O ATOM 668 CB ASN A 43 11.948 13.502 -3.696 1.00 0.00 C ATOM 669 CG ASN A 43 13.362 13.208 -3.174 1.00 0.00 C ATOM 670 OD1 ASN A 43 13.868 12.081 -3.316 1.00 0.00 O ATOM 671 ND2 ASN A 43 14.004 14.180 -2.556 1.00 0.00 N ATOM 0 H ASN A 43 10.409 13.514 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 43 11.916 15.511 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.343 12.601 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.008 13.726 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.938 14.016 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.566 15.096 -2.453 1.00 0.00 H new ATOM 761 N LEU A 48 -0.818 10.299 -8.243 1.00 0.00 N ATOM 762 CA LEU A 48 -2.126 10.676 -8.671 1.00 0.00 C ATOM 763 C LEU A 48 -3.023 9.469 -8.508 1.00 0.00 C ATOM 764 O LEU A 48 -2.549 8.357 -8.706 1.00 0.00 O ATOM 765 CB LEU A 48 -2.089 11.090 -10.150 1.00 0.00 C ATOM 766 CG LEU A 48 -3.404 11.608 -10.731 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.740 12.994 -10.189 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.373 11.601 -12.252 1.00 0.00 C ATOM 0 HA LEU A 48 -2.495 11.516 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.331 11.863 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.767 10.232 -10.740 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.197 10.930 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.681 13.335 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.834 12.947 -9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.945 13.691 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.322 11.975 -12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.562 12.240 -12.602 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.213 10.583 -12.608 1.00 0.00 H new ATOM 780 N PRO A 49 -4.276 9.633 -8.014 1.00 0.00 N ATOM 781 CA PRO A 49 -5.260 8.549 -8.005 1.00 0.00 C ATOM 782 C PRO A 49 -5.240 7.758 -9.327 1.00 0.00 C ATOM 783 O PRO A 49 -5.377 8.325 -10.414 1.00 0.00 O ATOM 784 CB PRO A 49 -6.563 9.311 -7.858 1.00 0.00 C ATOM 785 CG PRO A 49 -6.207 10.425 -6.942 1.00 0.00 C ATOM 786 CD PRO A 49 -4.816 10.849 -7.360 1.00 0.00 C ATOM 0 HA PRO A 49 -5.083 7.808 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.924 9.680 -8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.351 8.684 -7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.914 11.250 -7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.224 10.101 -5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.842 11.697 -8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.212 11.148 -6.504 1.00 0.00 H new ATOM 794 N GLY A 50 -5.073 6.467 -9.204 1.00 0.00 N ATOM 795 CA GLY A 50 -4.919 5.605 -10.339 1.00 0.00 C ATOM 796 C GLY A 50 -3.484 5.121 -10.475 1.00 0.00 C ATOM 797 O GLY A 50 -3.184 4.290 -11.331 1.00 0.00 O ATOM 0 H GLY A 50 -5.040 5.984 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.586 4.749 -10.241 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.213 6.136 -11.244 1.00 0.00 H new ATOM 801 N ASP A 51 -2.593 5.643 -9.632 1.00 0.00 N ATOM 802 CA ASP A 51 -1.188 5.231 -9.664 1.00 0.00 C ATOM 803 C ASP A 51 -1.011 3.958 -8.852 1.00 0.00 C ATOM 804 O ASP A 51 -1.815 3.657 -7.941 1.00 0.00 O ATOM 805 CB ASP A 51 -0.248 6.304 -9.107 1.00 0.00 C ATOM 806 CG ASP A 51 1.088 6.353 -9.836 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.791 5.327 -9.945 1.00 0.00 O ATOM 808 OD2 ASP A 51 1.441 7.418 -10.379 1.00 0.00 O ATOM 0 H ASP A 51 -2.815 6.344 -8.925 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.928 5.067 -10.710 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.732 7.278 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.072 6.113 -8.048 1.00 0.00 H new ATOM 813 N LYS A 52 0.036 3.253 -9.143 1.00 0.00 N ATOM 814 CA LYS A 52 0.329 1.976 -8.535 1.00 0.00 C ATOM 815 C LYS A 52 1.579 2.104 -7.679 1.00 0.00 C ATOM 816 O LYS A 52 2.601 2.631 -8.135 1.00 0.00 O ATOM 817 CB LYS A 52 0.504 0.918 -9.631 1.00 0.00 C ATOM 818 CG LYS A 52 0.826 -0.482 -9.153 1.00 0.00 C ATOM 819 CD LYS A 52 0.888 -1.437 -10.338 1.00 0.00 C ATOM 820 CE LYS A 52 1.683 -2.681 -10.008 1.00 0.00 C ATOM 821 NZ LYS A 52 3.123 -2.377 -9.866 1.00 0.00 N ATOM 0 H LYS A 52 0.733 3.549 -9.826 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.494 1.664 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.412 0.878 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.300 1.245 -10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.779 -0.484 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.068 -0.817 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.123 -1.718 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.340 -0.931 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.309 -3.119 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.542 -3.424 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.641 -3.250 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.484 -1.981 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.258 -1.686 -9.101 1.00 0.00 H new ATOM 835 N VAL A 53 1.504 1.652 -6.455 1.00 0.00 N ATOM 836 CA VAL A 53 2.625 1.760 -5.544 1.00 0.00 C ATOM 837 C VAL A 53 2.911 0.448 -4.845 1.00 0.00 C ATOM 838 O VAL A 53 2.024 -0.408 -4.711 1.00 0.00 O ATOM 839 CB VAL A 53 2.438 2.872 -4.476 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.478 4.261 -5.105 1.00 0.00 C ATOM 841 CG2 VAL A 53 1.125 2.679 -3.719 1.00 0.00 C ATOM 0 H VAL A 53 0.678 1.203 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 53 3.474 2.031 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 53 3.267 2.793 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.344 5.015 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.440 4.411 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.678 4.351 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.014 3.469 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.291 2.721 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.132 1.710 -3.220 1.00 0.00 H new ATOM 851 N THR A 54 4.124 0.320 -4.381 1.00 0.00 N ATOM 852 CA THR A 54 4.580 -0.845 -3.703 1.00 0.00 C ATOM 853 C THR A 54 4.473 -0.596 -2.183 1.00 0.00 C ATOM 854 O THR A 54 5.170 0.298 -1.606 1.00 0.00 O ATOM 855 CB THR A 54 6.039 -1.107 -4.104 1.00 0.00 C ATOM 856 OG1 THR A 54 6.168 -0.944 -5.545 1.00 0.00 O ATOM 857 CG2 THR A 54 6.470 -2.516 -3.710 1.00 0.00 C ATOM 0 H THR A 54 4.835 1.046 -4.470 1.00 0.00 H new ATOM 0 HA THR A 54 3.978 -1.714 -3.968 1.00 0.00 H new ATOM 0 HB THR A 54 6.681 -0.396 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.460 -1.450 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.507 -2.675 -4.005 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.378 -2.636 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.834 -3.245 -4.212 1.00 0.00 H new ATOM 865 N VAL A 55 3.612 -1.364 -1.549 1.00 0.00 N ATOM 866 CA VAL A 55 3.296 -1.189 -0.160 1.00 0.00 C ATOM 867 C VAL A 55 3.764 -2.392 0.662 1.00 0.00 C ATOM 868 O VAL A 55 3.577 -3.547 0.271 1.00 0.00 O ATOM 869 CB VAL A 55 1.753 -0.937 0.045 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.887 -2.135 -0.363 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.447 -0.529 1.463 1.00 0.00 C ATOM 0 H VAL A 55 3.111 -2.133 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 55 3.829 -0.307 0.194 1.00 0.00 H new ATOM 0 HB VAL A 55 1.495 -0.115 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.164 -1.897 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.047 -2.357 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.161 -3.003 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.375 -0.363 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.762 -1.319 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.982 0.390 1.701 1.00 0.00 H new ATOM 881 N GLU A 56 4.399 -2.120 1.756 1.00 0.00 N ATOM 882 CA GLU A 56 4.837 -3.150 2.653 1.00 0.00 C ATOM 883 C GLU A 56 3.871 -3.199 3.834 1.00 0.00 C ATOM 884 O GLU A 56 3.442 -2.148 4.345 1.00 0.00 O ATOM 885 CB GLU A 56 6.272 -2.863 3.088 1.00 0.00 C ATOM 886 CG GLU A 56 6.416 -1.583 3.869 1.00 0.00 C ATOM 887 CD GLU A 56 7.737 -0.937 3.685 1.00 0.00 C ATOM 888 OE1 GLU A 56 8.687 -1.255 4.410 1.00 0.00 O ATOM 889 OE2 GLU A 56 7.829 -0.029 2.843 1.00 0.00 O ATOM 0 H GLU A 56 4.632 -1.174 2.058 1.00 0.00 H new ATOM 0 HA GLU A 56 4.835 -4.127 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.632 -3.693 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.909 -2.814 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.633 -0.889 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.264 -1.791 4.928 1.00 0.00 H new ATOM 896 N MET A 57 3.475 -4.386 4.205 1.00 0.00 N ATOM 897 CA MET A 57 2.521 -4.606 5.285 1.00 0.00 C ATOM 898 C MET A 57 2.739 -5.943 5.936 1.00 0.00 C ATOM 899 O MET A 57 3.316 -6.840 5.322 1.00 0.00 O ATOM 900 CB MET A 57 1.073 -4.421 4.817 1.00 0.00 C ATOM 901 CG MET A 57 0.750 -4.967 3.449 1.00 0.00 C ATOM 902 SD MET A 57 -0.976 -4.698 3.003 1.00 0.00 S ATOM 903 CE MET A 57 -1.112 -2.941 3.288 1.00 0.00 C ATOM 0 H MET A 57 3.804 -5.246 3.767 1.00 0.00 H new ATOM 0 HA MET A 57 2.700 -3.843 6.042 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.413 -4.897 5.542 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.841 -3.356 4.826 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.394 -4.493 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.968 -6.035 3.424 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.841 -2.516 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.436 -2.763 4.313 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.142 -2.470 3.127 1.00 0.00 H new ATOM 913 N SER A 58 2.331 -6.079 7.176 1.00 0.00 N ATOM 914 CA SER A 58 2.563 -7.294 7.903 1.00 0.00 C ATOM 915 C SER A 58 1.607 -8.369 7.400 1.00 0.00 C ATOM 916 O SER A 58 0.500 -8.050 6.964 1.00 0.00 O ATOM 917 CB SER A 58 2.375 -7.085 9.421 1.00 0.00 C ATOM 918 OG SER A 58 1.035 -6.863 9.766 1.00 0.00 O ATOM 0 H SER A 58 1.835 -5.357 7.700 1.00 0.00 H new ATOM 0 HA SER A 58 3.594 -7.607 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.745 -7.961 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.977 -6.236 9.746 1.00 0.00 H new ATOM 0 HG SER A 58 0.722 -6.035 9.345 1.00 0.00 H new ATOM 924 N PRO A 59 2.006 -9.660 7.446 1.00 0.00 N ATOM 925 CA PRO A 59 1.137 -10.776 7.026 1.00 0.00 C ATOM 926 C PRO A 59 -0.131 -10.872 7.888 1.00 0.00 C ATOM 927 O PRO A 59 -1.069 -11.581 7.557 1.00 0.00 O ATOM 928 CB PRO A 59 2.007 -12.027 7.246 1.00 0.00 C ATOM 929 CG PRO A 59 3.409 -11.534 7.364 1.00 0.00 C ATOM 930 CD PRO A 59 3.329 -10.138 7.902 1.00 0.00 C ATOM 0 HA PRO A 59 0.795 -10.653 5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.703 -12.560 8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.907 -12.724 6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.989 -12.173 8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.907 -11.548 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.407 -10.123 8.989 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.135 -9.514 7.516 1.00 0.00 H new ATOM 938 N TYR A 60 -0.124 -10.156 8.996 1.00 0.00 N ATOM 939 CA TYR A 60 -1.198 -10.195 9.942 1.00 0.00 C ATOM 940 C TYR A 60 -2.148 -8.991 9.776 1.00 0.00 C ATOM 941 O TYR A 60 -3.272 -9.027 10.273 1.00 0.00 O ATOM 942 CB TYR A 60 -0.600 -10.241 11.367 1.00 0.00 C ATOM 943 CG TYR A 60 -1.610 -10.372 12.493 1.00 0.00 C ATOM 944 CD1 TYR A 60 -2.195 -11.597 12.786 1.00 0.00 C ATOM 945 CD2 TYR A 60 -1.968 -9.272 13.265 1.00 0.00 C ATOM 946 CE1 TYR A 60 -3.111 -11.723 13.812 1.00 0.00 C ATOM 947 CE2 TYR A 60 -2.882 -9.390 14.292 1.00 0.00 C ATOM 948 CZ TYR A 60 -3.451 -10.616 14.561 1.00 0.00 C ATOM 949 OH TYR A 60 -4.363 -10.736 15.584 1.00 0.00 O ATOM 0 H TYR A 60 0.637 -9.530 9.257 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.797 -11.089 9.766 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.094 -11.080 11.425 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.018 -9.334 11.528 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.929 -12.466 12.202 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.523 -8.310 13.057 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.558 -12.682 14.026 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.150 -8.526 14.882 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.490 -9.864 16.013 1.00 0.00 H new ATOM 959 N ASP A 61 -1.725 -7.936 9.075 1.00 0.00 N ATOM 960 CA ASP A 61 -2.611 -6.767 8.985 1.00 0.00 C ATOM 961 C ASP A 61 -3.325 -6.622 7.617 1.00 0.00 C ATOM 962 O ASP A 61 -4.539 -6.823 7.530 1.00 0.00 O ATOM 963 CB ASP A 61 -1.941 -5.415 9.456 1.00 0.00 C ATOM 964 CG ASP A 61 -1.088 -4.690 8.438 1.00 0.00 C ATOM 965 OD1 ASP A 61 -1.659 -3.880 7.689 1.00 0.00 O ATOM 966 OD2 ASP A 61 0.134 -4.928 8.369 1.00 0.00 O ATOM 0 H ASP A 61 -0.832 -7.862 8.588 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.396 -6.980 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.731 -4.739 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.323 -5.627 10.329 1.00 0.00 H new ATOM 971 N LEU A 62 -2.572 -6.272 6.569 1.00 0.00 N ATOM 972 CA LEU A 62 -3.110 -5.974 5.227 1.00 0.00 C ATOM 973 C LEU A 62 -4.131 -4.828 5.257 1.00 0.00 C ATOM 974 O LEU A 62 -5.037 -4.740 4.398 1.00 0.00 O ATOM 975 CB LEU A 62 -3.670 -7.213 4.490 1.00 0.00 C ATOM 976 CG LEU A 62 -2.642 -8.121 3.783 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.729 -8.827 4.768 1.00 0.00 C ATOM 978 CD2 LEU A 62 -3.347 -9.126 2.888 1.00 0.00 C ATOM 0 H LEU A 62 -1.557 -6.185 6.624 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.252 -5.642 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.220 -7.818 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.390 -6.870 3.747 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.013 -7.480 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.023 -9.454 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.182 -8.087 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.326 -9.448 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.607 -9.758 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.012 -9.746 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.929 -8.596 2.134 1.00 0.00 H new ATOM 990 N THR A 63 -3.967 -3.940 6.214 1.00 0.00 N ATOM 991 CA THR A 63 -4.828 -2.797 6.361 1.00 0.00 C ATOM 992 C THR A 63 -4.004 -1.495 6.457 1.00 0.00 C ATOM 993 O THR A 63 -4.495 -0.398 6.121 1.00 0.00 O ATOM 994 CB THR A 63 -5.799 -2.949 7.579 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.692 -1.829 7.661 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.042 -3.093 8.895 1.00 0.00 C ATOM 0 H THR A 63 -3.227 -3.995 6.914 1.00 0.00 H new ATOM 0 HA THR A 63 -5.448 -2.738 5.467 1.00 0.00 H new ATOM 0 HB THR A 63 -6.374 -3.860 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.291 -1.944 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.753 -3.196 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.406 -3.977 8.854 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.425 -2.209 9.059 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.763 -1.617 6.879 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.890 -0.496 7.063 1.00 0.00 C ATOM 1006 C ARG A 64 -0.603 -0.783 6.323 1.00 0.00 C ATOM 1007 O ARG A 64 -0.053 -1.846 6.449 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.602 -0.326 8.568 1.00 0.00 C ATOM 1009 CG ARG A 64 -0.794 0.915 8.943 1.00 0.00 C ATOM 1010 CD ARG A 64 -1.509 2.187 8.517 1.00 0.00 C ATOM 1011 NE ARG A 64 -0.811 3.413 8.960 1.00 0.00 N ATOM 1012 CZ ARG A 64 -0.829 4.584 8.296 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -1.339 4.645 7.065 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -0.303 5.686 8.852 1.00 0.00 N ATOM 0 H ARG A 64 -2.334 -2.514 7.105 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.345 0.419 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.552 -0.295 9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.067 -1.208 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.628 0.932 10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.187 0.870 8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.602 2.200 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.520 2.183 8.923 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.279 3.368 9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.715 3.804 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.353 5.532 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.113 5.639 9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.319 6.571 8.345 1.00 0.00 H new ATOM 1028 N GLY A 65 -0.128 0.146 5.560 1.00 0.00 N ATOM 1029 CA GLY A 65 1.079 -0.118 4.845 1.00 0.00 C ATOM 1030 C GLY A 65 1.916 1.109 4.665 1.00 0.00 C ATOM 1031 O GLY A 65 1.437 2.245 4.867 1.00 0.00 O ATOM 0 H GLY A 65 -0.541 1.068 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.656 -0.873 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.835 -0.535 3.868 1.00 0.00 H new ATOM 1035 N ARG A 66 3.142 0.906 4.291 1.00 0.00 N ATOM 1036 CA ARG A 66 4.054 1.983 4.045 1.00 0.00 C ATOM 1037 C ARG A 66 4.596 1.811 2.634 1.00 0.00 C ATOM 1038 O ARG A 66 4.843 0.696 2.201 1.00 0.00 O ATOM 1039 CB ARG A 66 5.166 1.989 5.136 1.00 0.00 C ATOM 1040 CG ARG A 66 6.063 3.243 5.202 1.00 0.00 C ATOM 1041 CD ARG A 66 7.200 3.241 4.189 1.00 0.00 C ATOM 1042 NE ARG A 66 8.096 2.103 4.387 1.00 0.00 N ATOM 1043 CZ ARG A 66 9.167 2.044 5.199 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.548 3.116 5.910 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.838 0.906 5.315 1.00 0.00 N ATOM 0 H ARG A 66 3.543 -0.021 4.146 1.00 0.00 H new ATOM 0 HA ARG A 66 3.565 2.955 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.690 1.859 6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.805 1.121 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.447 4.128 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.483 3.325 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.789 3.210 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.765 4.169 4.274 1.00 0.00 H new ATOM 0 HE ARG A 66 7.886 1.261 3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.024 3.988 5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.362 3.059 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.541 0.083 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.651 0.854 5.929 1.00 0.00 H new ATOM 1059 N ILE A 67 4.676 2.894 1.903 1.00 0.00 N ATOM 1060 CA ILE A 67 5.167 2.858 0.540 1.00 0.00 C ATOM 1061 C ILE A 67 6.616 3.234 0.473 1.00 0.00 C ATOM 1062 O ILE A 67 7.018 4.355 0.872 1.00 0.00 O ATOM 1063 CB ILE A 67 4.320 3.735 -0.454 1.00 0.00 C ATOM 1064 CG1 ILE A 67 3.020 3.048 -0.824 1.00 0.00 C ATOM 1065 CG2 ILE A 67 5.079 4.094 -1.726 1.00 0.00 C ATOM 1066 CD1 ILE A 67 2.012 2.965 0.267 1.00 0.00 C ATOM 0 H ILE A 67 4.406 3.822 2.229 1.00 0.00 H new ATOM 0 HA ILE A 67 5.056 1.824 0.213 1.00 0.00 H new ATOM 0 HB ILE A 67 4.106 4.661 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.576 3.577 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.246 2.038 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.442 4.699 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.975 4.658 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.363 3.181 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.120 2.457 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.429 2.407 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.748 3.970 0.595 1.00 0.00 H new ATOM 1078 N THR A 68 7.394 2.312 0.028 1.00 0.00 N ATOM 1079 CA THR A 68 8.782 2.532 -0.185 1.00 0.00 C ATOM 1080 C THR A 68 9.079 2.866 -1.632 1.00 0.00 C ATOM 1081 O THR A 68 10.060 3.552 -1.930 1.00 0.00 O ATOM 1082 CB THR A 68 9.548 1.290 0.225 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.634 0.167 0.222 1.00 0.00 O ATOM 1084 CG2 THR A 68 10.120 1.480 1.590 1.00 0.00 C ATOM 0 H THR A 68 7.080 1.369 -0.202 1.00 0.00 H new ATOM 0 HA THR A 68 9.093 3.384 0.420 1.00 0.00 H new ATOM 0 HB THR A 68 10.365 1.104 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.405 -0.071 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.670 0.585 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.795 2.336 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.313 1.658 2.301 1.00 0.00 H new ATOM 1092 N TYR A 69 8.202 2.451 -2.520 1.00 0.00 N ATOM 1093 CA TYR A 69 8.441 2.614 -3.925 1.00 0.00 C ATOM 1094 C TYR A 69 7.129 2.730 -4.665 1.00 0.00 C ATOM 1095 O TYR A 69 6.098 2.270 -4.188 1.00 0.00 O ATOM 1096 CB TYR A 69 9.207 1.385 -4.424 1.00 0.00 C ATOM 1097 CG TYR A 69 9.685 1.443 -5.866 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.423 2.524 -6.341 1.00 0.00 C ATOM 1099 CD2 TYR A 69 9.387 0.418 -6.752 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.848 2.574 -7.655 1.00 0.00 C ATOM 1101 CE2 TYR A 69 9.810 0.463 -8.063 1.00 0.00 C ATOM 1102 CZ TYR A 69 10.538 1.540 -8.511 1.00 0.00 C ATOM 1103 OH TYR A 69 10.950 1.586 -9.824 1.00 0.00 O ATOM 0 H TYR A 69 7.318 1.999 -2.287 1.00 0.00 H new ATOM 0 HA TYR A 69 9.019 3.521 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.073 1.234 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.567 0.510 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.667 3.336 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.813 -0.430 -6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.420 3.419 -8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.570 -0.346 -8.737 1.00 0.00 H new ATOM 0 HH TYR A 69 10.649 0.778 -10.290 1.00 0.00 H new ATOM 1113 N ARG A 70 7.163 3.359 -5.801 1.00 0.00 N ATOM 1114 CA ARG A 70 6.018 3.430 -6.654 1.00 0.00 C ATOM 1115 C ARG A 70 6.363 2.681 -7.873 1.00 0.00 C ATOM 1116 O ARG A 70 7.210 3.141 -8.650 1.00 0.00 O ATOM 1117 CB ARG A 70 5.782 4.877 -7.066 1.00 0.00 C ATOM 1118 CG ARG A 70 4.554 5.150 -7.970 1.00 0.00 C ATOM 1119 CD ARG A 70 4.937 5.629 -9.398 1.00 0.00 C ATOM 1120 NE ARG A 70 5.222 4.536 -10.394 1.00 0.00 N ATOM 1121 CZ ARG A 70 6.311 4.489 -11.240 1.00 0.00 C ATOM 1122 NH1 ARG A 70 7.374 5.258 -10.983 1.00 0.00 N ATOM 1123 NH2 ARG A 70 6.353 3.637 -12.316 1.00 0.00 N ATOM 0 H ARG A 70 7.988 3.838 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 70 5.135 3.037 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.679 5.476 -6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.672 5.233 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.959 4.240 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.924 5.904 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.126 6.247 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.817 6.268 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 70 4.555 3.767 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.375 5.872 -10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.184 5.231 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.566 3.017 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.171 3.624 -12.925 1.00 0.00 H new