USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 78 LYS NZ :NH3+ 179:sc= 0.676 (180deg=-0.0151) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.133 K(o=0.81,f=-8.3!) USER MOD Set 2.1: A 73 GLN : amide:sc= -0.0157 K(o=0.17,f=-0.94) USER MOD Set 2.2: A 74 TYR OH : rot -117:sc= 0.183 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-8.6!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc=-0.00851 USER MOD Set 4.1: A 24 THR OG1 : rot -16:sc= 0.694 USER MOD Set 4.2: A 27 SER OG : rot -150:sc= 1.27 USER MOD Single : A 4 THR OG1 : rot 144:sc= 0.352 USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.564 USER MOD Single : A 15 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 16 CYS SG : rot -170:sc= -2.15 USER MOD Single : A 22 THR OG1 : rot -6:sc= 1.04 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= 0.747 (180deg=-0.0299) USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 0.0813 (180deg=-1.42!) USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.974 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 65 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.47) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0439 (180deg=-0.223) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -8.908 2.007 -1.759 1.00 0.00 N ATOM 46 CA THR A 4 -7.542 2.143 -1.232 1.00 0.00 C ATOM 47 C THR A 4 -6.928 3.505 -1.575 1.00 0.00 C ATOM 48 O THR A 4 -6.281 4.100 -0.721 1.00 0.00 O ATOM 49 CB THR A 4 -6.641 0.977 -1.729 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.190 -0.258 -1.238 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.172 1.103 -1.272 1.00 0.00 C ATOM 0 HA THR A 4 -7.603 2.087 -0.145 1.00 0.00 H new ATOM 0 HB THR A 4 -6.630 1.008 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.064 -0.962 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.599 0.258 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.749 2.031 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.129 1.109 -0.183 1.00 0.00 H new ATOM 59 N PHE A 5 -7.164 4.018 -2.807 1.00 0.00 N ATOM 60 CA PHE A 5 -6.704 5.377 -3.190 1.00 0.00 C ATOM 61 C PHE A 5 -7.316 6.435 -2.250 1.00 0.00 C ATOM 62 O PHE A 5 -6.598 7.287 -1.760 1.00 0.00 O ATOM 63 CB PHE A 5 -7.008 5.734 -4.685 1.00 0.00 C ATOM 64 CG PHE A 5 -6.913 7.246 -4.988 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.682 7.910 -4.958 1.00 0.00 C ATOM 66 CD2 PHE A 5 -8.066 8.011 -5.213 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.609 9.277 -5.138 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.986 9.376 -5.410 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.761 10.010 -5.364 1.00 0.00 C ATOM 0 H PHE A 5 -7.663 3.520 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.619 5.378 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.310 5.198 -5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.008 5.383 -4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.776 7.346 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.031 7.526 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.651 9.775 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.883 9.947 -5.600 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.701 11.079 -5.504 1.00 0.00 H new ATOM 79 N ASP A 6 -8.636 6.345 -2.015 1.00 0.00 N ATOM 80 CA ASP A 6 -9.384 7.290 -1.143 1.00 0.00 C ATOM 81 C ASP A 6 -8.788 7.327 0.276 1.00 0.00 C ATOM 82 O ASP A 6 -8.591 8.406 0.841 1.00 0.00 O ATOM 83 CB ASP A 6 -10.881 6.894 -1.067 1.00 0.00 C ATOM 84 CG ASP A 6 -11.693 7.724 -0.046 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.985 8.901 -0.333 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.019 7.206 1.052 1.00 0.00 O ATOM 0 H ASP A 6 -9.223 5.616 -2.421 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.297 8.283 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.329 7.010 -2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.956 5.839 -0.805 1.00 0.00 H new ATOM 91 N ARG A 7 -8.511 6.129 0.818 1.00 0.00 N ATOM 92 CA ARG A 7 -7.942 5.966 2.166 1.00 0.00 C ATOM 93 C ARG A 7 -6.546 6.597 2.251 1.00 0.00 C ATOM 94 O ARG A 7 -6.295 7.430 3.116 1.00 0.00 O ATOM 95 CB ARG A 7 -7.873 4.468 2.547 1.00 0.00 C ATOM 96 CG ARG A 7 -9.215 3.705 2.535 1.00 0.00 C ATOM 97 CD ARG A 7 -10.219 4.166 3.610 1.00 0.00 C ATOM 98 NE ARG A 7 -10.781 5.511 3.358 1.00 0.00 N ATOM 99 CZ ARG A 7 -11.042 6.422 4.301 1.00 0.00 C ATOM 100 NH1 ARG A 7 -10.837 6.153 5.587 1.00 0.00 N ATOM 101 NH2 ARG A 7 -11.517 7.604 3.954 1.00 0.00 N ATOM 0 H ARG A 7 -8.675 5.247 0.334 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.595 6.479 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.188 3.970 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.440 4.386 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.675 3.818 1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.016 2.642 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.035 3.445 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.725 4.164 4.581 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.985 5.763 2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.476 5.241 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.041 6.859 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.683 7.818 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.718 8.303 4.669 1.00 0.00 H new ATOM 115 N VAL A 8 -5.669 6.197 1.307 1.00 0.00 N ATOM 116 CA VAL A 8 -4.283 6.709 1.183 1.00 0.00 C ATOM 117 C VAL A 8 -4.274 8.237 0.975 1.00 0.00 C ATOM 118 O VAL A 8 -3.445 8.937 1.540 1.00 0.00 O ATOM 119 CB VAL A 8 -3.527 5.990 -0.003 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.138 6.614 -0.302 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.396 4.476 0.283 1.00 0.00 C ATOM 0 H VAL A 8 -5.904 5.501 0.599 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.760 6.488 2.114 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.131 6.137 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.668 6.077 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.261 7.662 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.508 6.541 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.873 3.994 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.834 4.327 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.389 4.038 0.389 1.00 0.00 H new ATOM 131 N ALA A 9 -5.243 8.724 0.197 1.00 0.00 N ATOM 132 CA ALA A 9 -5.395 10.142 -0.158 1.00 0.00 C ATOM 133 C ALA A 9 -5.707 10.980 1.084 1.00 0.00 C ATOM 134 O ALA A 9 -5.092 12.024 1.305 1.00 0.00 O ATOM 135 CB ALA A 9 -6.515 10.293 -1.202 1.00 0.00 C ATOM 0 H ALA A 9 -5.963 8.131 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.458 10.503 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.628 11.345 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.260 9.721 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.452 9.920 -0.787 1.00 0.00 H new ATOM 141 N THR A 10 -6.667 10.489 1.897 1.00 0.00 N ATOM 142 CA THR A 10 -7.043 11.129 3.168 1.00 0.00 C ATOM 143 C THR A 10 -5.857 11.080 4.150 1.00 0.00 C ATOM 144 O THR A 10 -5.588 12.050 4.835 1.00 0.00 O ATOM 145 CB THR A 10 -8.299 10.452 3.820 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.324 10.278 2.832 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.870 11.285 4.992 1.00 0.00 C ATOM 0 H THR A 10 -7.198 9.643 1.689 1.00 0.00 H new ATOM 0 HA THR A 10 -7.302 12.165 2.949 1.00 0.00 H new ATOM 0 HB THR A 10 -7.977 9.488 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.099 9.516 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.738 10.776 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.108 11.398 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.167 12.269 4.628 1.00 0.00 H new ATOM 155 N ILE A 11 -5.132 9.940 4.157 1.00 0.00 N ATOM 156 CA ILE A 11 -3.928 9.737 4.994 1.00 0.00 C ATOM 157 C ILE A 11 -2.858 10.799 4.688 1.00 0.00 C ATOM 158 O ILE A 11 -2.342 11.422 5.604 1.00 0.00 O ATOM 159 CB ILE A 11 -3.352 8.277 4.798 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.267 7.227 5.514 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.881 8.149 5.264 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.915 5.769 5.252 1.00 0.00 C ATOM 0 H ILE A 11 -5.366 9.132 3.580 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.218 9.849 6.039 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.354 8.071 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.225 7.406 6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.298 7.396 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.537 7.127 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.257 8.834 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.812 8.396 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.608 5.125 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.987 5.564 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.898 5.574 5.591 1.00 0.00 H new ATOM 174 N ILE A 12 -2.577 11.029 3.397 1.00 0.00 N ATOM 175 CA ILE A 12 -1.551 11.990 2.952 1.00 0.00 C ATOM 176 C ILE A 12 -1.995 13.428 3.297 1.00 0.00 C ATOM 177 O ILE A 12 -1.193 14.259 3.754 1.00 0.00 O ATOM 178 CB ILE A 12 -1.294 11.818 1.403 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.705 10.402 1.105 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.377 12.921 0.835 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.473 10.092 -0.363 1.00 0.00 C ATOM 0 H ILE A 12 -3.054 10.555 2.630 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.613 11.795 3.472 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.257 11.916 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.242 10.302 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.381 9.652 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.231 12.758 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.839 13.896 0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.587 12.889 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.063 9.087 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.419 10.153 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.230 10.813 -0.781 1.00 0.00 H new ATOM 193 N ALA A 13 -3.293 13.685 3.084 1.00 0.00 N ATOM 194 CA ALA A 13 -3.956 14.952 3.434 1.00 0.00 C ATOM 195 C ALA A 13 -3.846 15.302 4.936 1.00 0.00 C ATOM 196 O ALA A 13 -3.614 16.456 5.292 1.00 0.00 O ATOM 197 CB ALA A 13 -5.429 14.896 3.010 1.00 0.00 C ATOM 0 H ALA A 13 -3.924 13.007 2.656 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.438 15.744 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.918 15.835 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.492 14.740 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.925 14.074 3.525 1.00 0.00 H new ATOM 203 N GLU A 14 -4.037 14.301 5.799 1.00 0.00 N ATOM 204 CA GLU A 14 -3.993 14.478 7.265 1.00 0.00 C ATOM 205 C GLU A 14 -2.540 14.533 7.791 1.00 0.00 C ATOM 206 O GLU A 14 -2.230 15.329 8.680 1.00 0.00 O ATOM 207 CB GLU A 14 -4.763 13.326 7.958 1.00 0.00 C ATOM 208 CG GLU A 14 -6.269 13.234 7.619 1.00 0.00 C ATOM 209 CD GLU A 14 -7.079 14.465 8.056 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.385 14.583 9.264 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.416 15.313 7.203 1.00 0.00 O ATOM 0 H GLU A 14 -4.227 13.342 5.508 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.468 15.430 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.289 12.382 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.657 13.439 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.382 13.099 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.686 12.348 8.097 1.00 0.00 H new ATOM 218 N THR A 15 -1.661 13.691 7.216 1.00 0.00 N ATOM 219 CA THR A 15 -0.282 13.481 7.718 1.00 0.00 C ATOM 220 C THR A 15 0.637 14.659 7.344 1.00 0.00 C ATOM 221 O THR A 15 1.255 15.277 8.218 1.00 0.00 O ATOM 222 CB THR A 15 0.321 12.143 7.168 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.495 11.041 7.597 1.00 0.00 O ATOM 224 CG2 THR A 15 1.766 11.901 7.631 1.00 0.00 C ATOM 0 H THR A 15 -1.883 13.135 6.390 1.00 0.00 H new ATOM 0 HA THR A 15 -0.342 13.419 8.805 1.00 0.00 H new ATOM 0 HB THR A 15 0.335 12.224 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.274 10.961 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.128 10.959 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.400 12.717 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.796 11.855 8.720 1.00 0.00 H new ATOM 232 N CYS A 16 0.692 14.986 6.037 1.00 0.00 N ATOM 233 CA CYS A 16 1.620 16.007 5.492 1.00 0.00 C ATOM 234 C CYS A 16 0.879 17.308 5.137 1.00 0.00 C ATOM 235 O CYS A 16 1.464 18.194 4.502 1.00 0.00 O ATOM 236 CB CYS A 16 2.360 15.437 4.255 1.00 0.00 C ATOM 237 SG CYS A 16 3.389 14.011 4.648 1.00 0.00 S ATOM 0 H CYS A 16 0.098 14.554 5.329 1.00 0.00 H new ATOM 0 HA CYS A 16 2.352 16.252 6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.628 15.153 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.982 16.218 3.818 1.00 0.00 H new ATOM 0 HG CYS A 16 4.134 13.718 3.624 1.00 0.00 H new ATOM 243 N ASP A 17 -0.401 17.402 5.568 1.00 0.00 N ATOM 244 CA ASP A 17 -1.278 18.570 5.336 1.00 0.00 C ATOM 245 C ASP A 17 -1.316 18.944 3.833 1.00 0.00 C ATOM 246 O ASP A 17 -0.860 20.009 3.414 1.00 0.00 O ATOM 247 CB ASP A 17 -0.894 19.778 6.256 1.00 0.00 C ATOM 248 CG ASP A 17 -1.843 20.985 6.096 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.042 20.857 6.421 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.399 22.061 5.629 1.00 0.00 O ATOM 0 H ASP A 17 -0.858 16.657 6.094 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.294 18.292 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.902 19.452 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.125 20.091 6.028 1.00 0.00 H new ATOM 255 N ILE A 18 -1.766 17.979 3.021 1.00 0.00 N ATOM 256 CA ILE A 18 -1.927 18.149 1.567 1.00 0.00 C ATOM 257 C ILE A 18 -3.406 18.436 1.258 1.00 0.00 C ATOM 258 O ILE A 18 -4.261 17.670 1.709 1.00 0.00 O ATOM 259 CB ILE A 18 -1.449 16.862 0.790 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.012 16.476 1.204 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.564 17.045 -0.742 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.077 17.511 0.904 1.00 0.00 C ATOM 0 H ILE A 18 -2.031 17.052 3.354 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.310 18.985 1.237 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.111 16.042 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.024 16.270 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.280 15.549 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.226 16.138 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.603 17.241 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.945 17.885 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.048 17.140 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.105 17.704 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.845 18.436 1.433 1.00 0.00 H new ATOM 274 N PRO A 19 -3.744 19.547 0.517 1.00 0.00 N ATOM 275 CA PRO A 19 -5.142 19.853 0.135 1.00 0.00 C ATOM 276 C PRO A 19 -5.753 18.696 -0.677 1.00 0.00 C ATOM 277 O PRO A 19 -5.151 18.261 -1.664 1.00 0.00 O ATOM 278 CB PRO A 19 -5.022 21.156 -0.711 1.00 0.00 C ATOM 279 CG PRO A 19 -3.708 21.751 -0.306 1.00 0.00 C ATOM 280 CD PRO A 19 -2.804 20.577 -0.007 1.00 0.00 C ATOM 0 HA PRO A 19 -5.801 19.982 0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.046 20.939 -1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.846 21.839 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.296 22.370 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.821 22.391 0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.285 20.231 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.039 20.834 0.726 1.00 0.00 H new ATOM 288 N ARG A 20 -6.906 18.172 -0.222 1.00 0.00 N ATOM 289 CA ARG A 20 -7.595 17.043 -0.885 1.00 0.00 C ATOM 290 C ARG A 20 -7.931 17.359 -2.365 1.00 0.00 C ATOM 291 O ARG A 20 -7.973 16.450 -3.200 1.00 0.00 O ATOM 292 CB ARG A 20 -8.876 16.638 -0.092 1.00 0.00 C ATOM 293 CG ARG A 20 -9.629 15.401 -0.645 1.00 0.00 C ATOM 294 CD ARG A 20 -8.785 14.111 -0.630 1.00 0.00 C ATOM 295 NE ARG A 20 -9.476 13.009 -1.329 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.703 11.781 -0.843 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.360 11.457 0.394 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.289 10.882 -1.607 1.00 0.00 N ATOM 0 H ARG A 20 -7.386 18.515 0.610 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.909 16.196 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.596 16.441 0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.561 17.486 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.532 15.242 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.947 15.606 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.822 14.298 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.581 13.820 0.400 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.813 13.201 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.914 12.148 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.542 10.516 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.565 11.124 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.466 9.944 -1.247 1.00 0.00 H new ATOM 312 N GLU A 21 -8.140 18.656 -2.681 1.00 0.00 N ATOM 313 CA GLU A 21 -8.401 19.127 -4.061 1.00 0.00 C ATOM 314 C GLU A 21 -7.211 18.819 -4.998 1.00 0.00 C ATOM 315 O GLU A 21 -7.400 18.452 -6.165 1.00 0.00 O ATOM 316 CB GLU A 21 -8.697 20.651 -4.058 1.00 0.00 C ATOM 317 CG GLU A 21 -7.542 21.522 -3.511 1.00 0.00 C ATOM 318 CD GLU A 21 -7.789 23.032 -3.628 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.727 23.563 -4.765 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.039 23.691 -2.598 1.00 0.00 O ATOM 0 H GLU A 21 -8.133 19.405 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.272 18.591 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.924 20.967 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.590 20.835 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.377 21.271 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.627 21.271 -4.047 1.00 0.00 H new ATOM 327 N THR A 22 -5.985 18.933 -4.455 1.00 0.00 N ATOM 328 CA THR A 22 -4.735 18.708 -5.206 1.00 0.00 C ATOM 329 C THR A 22 -4.276 17.238 -5.071 1.00 0.00 C ATOM 330 O THR A 22 -3.100 16.923 -5.253 1.00 0.00 O ATOM 331 CB THR A 22 -3.605 19.684 -4.712 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.392 19.528 -3.303 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.931 21.165 -5.018 1.00 0.00 C ATOM 0 H THR A 22 -5.832 19.185 -3.478 1.00 0.00 H new ATOM 0 HA THR A 22 -4.930 18.914 -6.259 1.00 0.00 H new ATOM 0 HB THR A 22 -2.700 19.420 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.061 18.912 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.120 21.798 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.044 21.298 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.859 21.444 -4.519 1.00 0.00 H new ATOM 341 N ILE A 23 -5.230 16.339 -4.779 1.00 0.00 N ATOM 342 CA ILE A 23 -4.967 14.899 -4.659 1.00 0.00 C ATOM 343 C ILE A 23 -5.762 14.140 -5.742 1.00 0.00 C ATOM 344 O ILE A 23 -6.966 13.901 -5.609 1.00 0.00 O ATOM 345 CB ILE A 23 -5.303 14.368 -3.212 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.370 15.044 -2.151 1.00 0.00 C ATOM 347 CG2 ILE A 23 -5.193 12.833 -3.142 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.617 14.619 -0.710 1.00 0.00 C ATOM 0 H ILE A 23 -6.205 16.592 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.903 14.721 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.335 14.636 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.334 14.822 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.490 16.125 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.430 12.497 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.893 12.386 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.178 12.529 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.922 15.141 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.640 14.867 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.466 13.544 -0.617 1.00 0.00 H new ATOM 360 N THR A 24 -5.073 13.837 -6.848 1.00 0.00 N ATOM 361 CA THR A 24 -5.568 12.947 -7.910 1.00 0.00 C ATOM 362 C THR A 24 -4.712 11.662 -7.900 1.00 0.00 C ATOM 363 O THR A 24 -3.593 11.691 -7.375 1.00 0.00 O ATOM 364 CB THR A 24 -5.486 13.648 -9.317 1.00 0.00 C ATOM 365 OG1 THR A 24 -4.143 14.072 -9.590 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.426 14.859 -9.417 1.00 0.00 C ATOM 0 H THR A 24 -4.141 14.208 -7.035 1.00 0.00 H new ATOM 0 HA THR A 24 -6.615 12.705 -7.726 1.00 0.00 H new ATOM 0 HB THR A 24 -5.801 12.910 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.623 14.068 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.335 15.310 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.455 14.535 -9.260 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.156 15.593 -8.657 1.00 0.00 H new ATOM 374 N PRO A 25 -5.203 10.513 -8.478 1.00 0.00 N ATOM 375 CA PRO A 25 -4.406 9.257 -8.574 1.00 0.00 C ATOM 376 C PRO A 25 -3.050 9.450 -9.293 1.00 0.00 C ATOM 377 O PRO A 25 -2.108 8.701 -9.058 1.00 0.00 O ATOM 378 CB PRO A 25 -5.334 8.302 -9.371 1.00 0.00 C ATOM 379 CG PRO A 25 -6.714 8.821 -9.112 1.00 0.00 C ATOM 380 CD PRO A 25 -6.569 10.323 -9.050 1.00 0.00 C ATOM 0 HA PRO A 25 -4.130 8.878 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.098 8.315 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.227 7.271 -9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.401 8.524 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.114 8.425 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.658 10.777 -10.037 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.335 10.775 -8.420 1.00 0.00 H new ATOM 388 N GLU A 26 -2.959 10.510 -10.113 1.00 0.00 N ATOM 389 CA GLU A 26 -1.807 10.778 -10.997 1.00 0.00 C ATOM 390 C GLU A 26 -0.848 11.842 -10.388 1.00 0.00 C ATOM 391 O GLU A 26 0.083 12.302 -11.066 1.00 0.00 O ATOM 392 CB GLU A 26 -2.360 11.240 -12.373 1.00 0.00 C ATOM 393 CG GLU A 26 -3.167 12.551 -12.326 1.00 0.00 C ATOM 394 CD GLU A 26 -3.865 12.910 -13.647 1.00 0.00 C ATOM 395 OE1 GLU A 26 -3.165 13.177 -14.649 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.114 12.910 -13.699 1.00 0.00 O ATOM 0 H GLU A 26 -3.692 11.216 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.216 9.870 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.525 11.366 -13.063 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.994 10.452 -12.780 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.919 12.474 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.499 13.366 -12.048 1.00 0.00 H new ATOM 403 N SER A 27 -1.082 12.222 -9.111 1.00 0.00 N ATOM 404 CA SER A 27 -0.247 13.218 -8.398 1.00 0.00 C ATOM 405 C SER A 27 1.043 12.556 -7.884 1.00 0.00 C ATOM 406 O SER A 27 1.016 11.407 -7.426 1.00 0.00 O ATOM 407 CB SER A 27 -1.019 13.845 -7.216 1.00 0.00 C ATOM 408 OG SER A 27 -2.209 14.470 -7.653 1.00 0.00 O ATOM 0 H SER A 27 -1.848 11.851 -8.549 1.00 0.00 H new ATOM 0 HA SER A 27 0.008 14.010 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.259 13.073 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.386 14.575 -6.712 1.00 0.00 H new ATOM 0 HG SER A 27 -2.422 15.220 -7.059 1.00 0.00 H new ATOM 414 N HIS A 28 2.162 13.289 -7.979 1.00 0.00 N ATOM 415 CA HIS A 28 3.468 12.836 -7.502 1.00 0.00 C ATOM 416 C HIS A 28 3.732 13.429 -6.109 1.00 0.00 C ATOM 417 O HIS A 28 3.712 14.645 -5.965 1.00 0.00 O ATOM 418 CB HIS A 28 4.560 13.291 -8.492 1.00 0.00 C ATOM 419 CG HIS A 28 5.863 12.576 -8.297 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.767 12.939 -7.326 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.346 11.521 -8.971 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.774 12.097 -7.456 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.564 11.220 -8.438 1.00 0.00 N ATOM 0 H HIS A 28 2.181 14.221 -8.394 1.00 0.00 H new ATOM 0 HA HIS A 28 3.483 11.748 -7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.210 13.126 -9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.720 14.363 -8.380 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.859 11.005 -9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.662 12.116 -6.841 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.191 10.471 -8.732 1.00 0.00 H new ATOM 431 N ALA A 29 3.954 12.577 -5.095 1.00 0.00 N ATOM 432 CA ALA A 29 4.241 12.998 -3.711 1.00 0.00 C ATOM 433 C ALA A 29 5.375 14.043 -3.616 1.00 0.00 C ATOM 434 O ALA A 29 5.214 15.061 -2.949 1.00 0.00 O ATOM 435 CB ALA A 29 4.570 11.767 -2.850 1.00 0.00 C ATOM 0 H ALA A 29 3.939 11.564 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 29 3.343 13.486 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.781 12.083 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.720 11.085 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.443 11.259 -3.260 1.00 0.00 H new ATOM 441 N ILE A 30 6.473 13.835 -4.361 1.00 0.00 N ATOM 442 CA ILE A 30 7.702 14.630 -4.178 1.00 0.00 C ATOM 443 C ILE A 30 7.615 15.925 -5.005 1.00 0.00 C ATOM 444 O ILE A 30 7.813 17.019 -4.476 1.00 0.00 O ATOM 445 CB ILE A 30 8.998 13.837 -4.594 1.00 0.00 C ATOM 446 CG1 ILE A 30 9.065 12.454 -3.880 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.276 14.657 -4.307 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.289 11.611 -4.243 1.00 0.00 C ATOM 0 H ILE A 30 6.537 13.127 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 30 7.779 14.861 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 30 8.942 13.664 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.057 12.615 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.165 11.889 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.152 14.081 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.245 15.589 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.334 14.880 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.254 10.666 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.290 11.414 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.196 12.151 -3.972 1.00 0.00 H new ATOM 460 N ASP A 31 7.260 15.778 -6.293 1.00 0.00 N ATOM 461 CA ASP A 31 7.356 16.865 -7.293 1.00 0.00 C ATOM 462 C ASP A 31 6.106 17.741 -7.313 1.00 0.00 C ATOM 463 O ASP A 31 6.196 18.944 -7.577 1.00 0.00 O ATOM 464 CB ASP A 31 7.643 16.277 -8.703 1.00 0.00 C ATOM 465 CG ASP A 31 9.106 15.841 -8.858 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.954 16.693 -9.213 1.00 0.00 O ATOM 467 OD2 ASP A 31 9.433 14.668 -8.582 1.00 0.00 O ATOM 0 H ASP A 31 6.898 14.904 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 31 8.188 17.506 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.990 15.422 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.405 17.022 -9.462 1.00 0.00 H new ATOM 472 N ASP A 32 4.946 17.147 -7.026 1.00 0.00 N ATOM 473 CA ASP A 32 3.657 17.850 -7.104 1.00 0.00 C ATOM 474 C ASP A 32 3.203 18.276 -5.697 1.00 0.00 C ATOM 475 O ASP A 32 3.010 19.465 -5.436 1.00 0.00 O ATOM 476 CB ASP A 32 2.603 16.947 -7.785 1.00 0.00 C ATOM 477 CG ASP A 32 1.248 17.645 -7.959 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.130 18.501 -8.861 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.309 17.360 -7.191 1.00 0.00 O ATOM 0 H ASP A 32 4.870 16.172 -6.735 1.00 0.00 H new ATOM 0 HA ASP A 32 3.772 18.750 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.974 16.635 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.468 16.043 -7.192 1.00 0.00 H new ATOM 484 N LEU A 33 3.052 17.288 -4.790 1.00 0.00 N ATOM 485 CA LEU A 33 2.557 17.512 -3.411 1.00 0.00 C ATOM 486 C LEU A 33 3.652 18.112 -2.496 1.00 0.00 C ATOM 487 O LEU A 33 3.338 18.616 -1.415 1.00 0.00 O ATOM 488 CB LEU A 33 2.025 16.177 -2.812 1.00 0.00 C ATOM 489 CG LEU A 33 0.992 15.376 -3.677 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.550 14.078 -2.963 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.216 16.248 -4.071 1.00 0.00 C ATOM 0 H LEU A 33 3.269 16.312 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 33 1.743 18.235 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.879 15.529 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.564 16.397 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 33 1.493 15.087 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.166 13.545 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.420 13.445 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.084 14.328 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.910 15.659 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.721 16.599 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.127 17.104 -4.652 1.00 0.00 H new ATOM 503 N GLY A 34 4.926 18.037 -2.941 1.00 0.00 N ATOM 504 CA GLY A 34 6.063 18.605 -2.198 1.00 0.00 C ATOM 505 C GLY A 34 6.351 17.873 -0.893 1.00 0.00 C ATOM 506 O GLY A 34 6.372 18.485 0.178 1.00 0.00 O ATOM 0 H GLY A 34 5.189 17.585 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.952 18.575 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.860 19.654 -1.982 1.00 0.00 H new ATOM 510 N ILE A 35 6.573 16.557 -0.993 1.00 0.00 N ATOM 511 CA ILE A 35 6.786 15.660 0.164 1.00 0.00 C ATOM 512 C ILE A 35 8.178 15.012 0.053 1.00 0.00 C ATOM 513 O ILE A 35 8.490 14.394 -0.970 1.00 0.00 O ATOM 514 CB ILE A 35 5.676 14.533 0.207 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.252 15.164 0.308 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.910 13.520 1.353 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.099 14.180 0.173 1.00 0.00 C ATOM 0 H ILE A 35 6.611 16.072 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 35 6.721 16.245 1.082 1.00 0.00 H new ATOM 0 HB ILE A 35 5.748 13.978 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.164 15.673 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.153 15.925 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.122 12.767 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.877 13.035 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.896 14.043 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.153 14.715 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.153 13.688 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.164 13.432 0.963 1.00 0.00 H new ATOM 529 N ASP A 36 9.006 15.167 1.101 1.00 0.00 N ATOM 530 CA ASP A 36 10.320 14.489 1.204 1.00 0.00 C ATOM 531 C ASP A 36 10.116 13.033 1.673 1.00 0.00 C ATOM 532 O ASP A 36 9.029 12.688 2.151 1.00 0.00 O ATOM 533 CB ASP A 36 11.235 15.274 2.189 1.00 0.00 C ATOM 534 CG ASP A 36 12.665 14.702 2.306 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.434 14.804 1.329 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.010 14.131 3.362 1.00 0.00 O ATOM 0 H ASP A 36 8.789 15.762 1.900 1.00 0.00 H new ATOM 0 HA ASP A 36 10.805 14.469 0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.295 16.313 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.773 15.275 3.176 1.00 0.00 H new ATOM 541 N SER A 37 11.171 12.192 1.538 1.00 0.00 N ATOM 542 CA SER A 37 11.139 10.781 1.991 1.00 0.00 C ATOM 543 C SER A 37 10.709 10.687 3.469 1.00 0.00 C ATOM 544 O SER A 37 9.920 9.820 3.823 1.00 0.00 O ATOM 545 CB SER A 37 12.527 10.079 1.797 1.00 0.00 C ATOM 546 OG SER A 37 13.029 9.552 3.043 1.00 0.00 O ATOM 0 H SER A 37 12.058 12.469 1.117 1.00 0.00 H new ATOM 0 HA SER A 37 10.405 10.263 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.430 9.271 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.243 10.792 1.387 1.00 0.00 H new ATOM 0 HG SER A 37 13.895 9.119 2.890 1.00 0.00 H new ATOM 551 N LEU A 38 11.276 11.590 4.306 1.00 0.00 N ATOM 552 CA LEU A 38 11.049 11.617 5.769 1.00 0.00 C ATOM 553 C LEU A 38 9.558 11.789 6.092 1.00 0.00 C ATOM 554 O LEU A 38 9.022 11.079 6.936 1.00 0.00 O ATOM 555 CB LEU A 38 11.898 12.733 6.441 1.00 0.00 C ATOM 556 CG LEU A 38 13.447 12.581 6.305 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.184 13.786 6.922 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.934 11.237 6.901 1.00 0.00 C ATOM 0 H LEU A 38 11.907 12.323 3.982 1.00 0.00 H new ATOM 0 HA LEU A 38 11.370 10.659 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.607 13.692 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.646 12.767 7.501 1.00 0.00 H new ATOM 0 HG LEU A 38 13.689 12.567 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.260 13.650 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.879 14.699 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.935 13.862 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.016 11.161 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.673 11.192 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.457 10.411 6.374 1.00 0.00 H new ATOM 570 N ASP A 39 8.900 12.706 5.367 1.00 0.00 N ATOM 571 CA ASP A 39 7.449 12.965 5.506 1.00 0.00 C ATOM 572 C ASP A 39 6.633 11.799 4.925 1.00 0.00 C ATOM 573 O ASP A 39 5.546 11.488 5.413 1.00 0.00 O ATOM 574 CB ASP A 39 7.074 14.293 4.798 1.00 0.00 C ATOM 575 CG ASP A 39 7.875 15.489 5.329 1.00 0.00 C ATOM 576 OD1 ASP A 39 7.593 15.945 6.461 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.813 15.954 4.641 1.00 0.00 O ATOM 0 H ASP A 39 9.354 13.292 4.666 1.00 0.00 H new ATOM 0 HA ASP A 39 7.212 13.053 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.247 14.191 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.009 14.484 4.932 1.00 0.00 H new ATOM 582 N PHE A 40 7.195 11.152 3.891 1.00 0.00 N ATOM 583 CA PHE A 40 6.578 10.002 3.214 1.00 0.00 C ATOM 584 C PHE A 40 6.706 8.724 4.091 1.00 0.00 C ATOM 585 O PHE A 40 5.961 7.765 3.892 1.00 0.00 O ATOM 586 CB PHE A 40 7.226 9.796 1.814 1.00 0.00 C ATOM 587 CG PHE A 40 6.384 8.966 0.848 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.296 9.543 0.188 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.673 7.629 0.590 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.533 8.811 -0.695 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.903 6.898 -0.297 1.00 0.00 C ATOM 592 CZ PHE A 40 4.838 7.489 -0.939 1.00 0.00 C ATOM 0 H PHE A 40 8.099 11.416 3.499 1.00 0.00 H new ATOM 0 HA PHE A 40 5.516 10.201 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.415 10.772 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.194 9.312 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.050 10.578 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.507 7.157 1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.695 9.273 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.138 5.861 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.241 6.917 -1.634 1.00 0.00 H new ATOM 602 N LEU A 41 7.671 8.731 5.047 1.00 0.00 N ATOM 603 CA LEU A 41 7.809 7.661 6.066 1.00 0.00 C ATOM 604 C LEU A 41 6.602 7.708 7.012 1.00 0.00 C ATOM 605 O LEU A 41 6.025 6.677 7.341 1.00 0.00 O ATOM 606 CB LEU A 41 9.119 7.820 6.896 1.00 0.00 C ATOM 607 CG LEU A 41 10.464 7.718 6.117 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.680 7.908 7.053 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.550 6.402 5.320 1.00 0.00 C ATOM 0 H LEU A 41 8.368 9.471 5.132 1.00 0.00 H new ATOM 0 HA LEU A 41 7.853 6.703 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.089 8.789 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.121 7.059 7.676 1.00 0.00 H new ATOM 0 HG LEU A 41 10.490 8.535 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.600 7.830 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.628 8.891 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.670 7.137 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.500 6.361 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.481 5.557 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.730 6.356 4.603 1.00 0.00 H new ATOM 621 N ASP A 42 6.234 8.942 7.420 1.00 0.00 N ATOM 622 CA ASP A 42 5.066 9.203 8.297 1.00 0.00 C ATOM 623 C ASP A 42 3.769 8.798 7.584 1.00 0.00 C ATOM 624 O ASP A 42 2.853 8.247 8.203 1.00 0.00 O ATOM 625 CB ASP A 42 5.006 10.697 8.699 1.00 0.00 C ATOM 626 CG ASP A 42 6.261 11.169 9.443 1.00 0.00 C ATOM 627 OD1 ASP A 42 6.478 10.733 10.596 1.00 0.00 O ATOM 628 OD2 ASP A 42 7.044 11.958 8.885 1.00 0.00 O ATOM 0 H ASP A 42 6.737 9.788 7.152 1.00 0.00 H new ATOM 0 HA ASP A 42 5.176 8.606 9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.872 11.303 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.133 10.863 9.330 1.00 0.00 H new ATOM 633 N ILE A 43 3.716 9.084 6.262 1.00 0.00 N ATOM 634 CA ILE A 43 2.621 8.645 5.377 1.00 0.00 C ATOM 635 C ILE A 43 2.543 7.114 5.343 1.00 0.00 C ATOM 636 O ILE A 43 1.465 6.544 5.524 1.00 0.00 O ATOM 637 CB ILE A 43 2.804 9.199 3.913 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.646 10.751 3.889 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.849 8.516 2.893 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.867 11.382 2.528 1.00 0.00 C ATOM 0 H ILE A 43 4.434 9.627 5.782 1.00 0.00 H new ATOM 0 HA ILE A 43 1.692 9.047 5.781 1.00 0.00 H new ATOM 0 HB ILE A 43 3.818 8.950 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.645 11.008 4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.351 11.187 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.017 8.935 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.045 7.444 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.815 8.690 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.738 12.462 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.877 11.160 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.145 10.978 1.818 1.00 0.00 H new ATOM 652 N ALA A 44 3.705 6.456 5.161 1.00 0.00 N ATOM 653 CA ALA A 44 3.787 4.993 4.996 1.00 0.00 C ATOM 654 C ALA A 44 3.441 4.274 6.311 1.00 0.00 C ATOM 655 O ALA A 44 2.951 3.154 6.282 1.00 0.00 O ATOM 656 CB ALA A 44 5.196 4.590 4.518 1.00 0.00 C ATOM 0 H ALA A 44 4.611 6.924 5.124 1.00 0.00 H new ATOM 0 HA ALA A 44 3.060 4.691 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.244 3.508 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.407 5.069 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.935 4.908 5.254 1.00 0.00 H new ATOM 662 N PHE A 45 3.725 4.948 7.443 1.00 0.00 N ATOM 663 CA PHE A 45 3.407 4.464 8.804 1.00 0.00 C ATOM 664 C PHE A 45 1.909 4.592 9.097 1.00 0.00 C ATOM 665 O PHE A 45 1.326 3.716 9.739 1.00 0.00 O ATOM 666 CB PHE A 45 4.252 5.227 9.879 1.00 0.00 C ATOM 667 CG PHE A 45 5.517 4.487 10.307 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.702 4.575 9.578 1.00 0.00 C ATOM 669 CD2 PHE A 45 5.506 3.677 11.442 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.832 3.891 9.973 1.00 0.00 C ATOM 671 CE2 PHE A 45 6.634 2.994 11.836 1.00 0.00 C ATOM 672 CZ PHE A 45 7.799 3.096 11.103 1.00 0.00 C ATOM 0 H PHE A 45 4.188 5.857 7.439 1.00 0.00 H new ATOM 0 HA PHE A 45 3.670 3.407 8.854 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.530 6.204 9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.631 5.404 10.757 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.735 5.189 8.690 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.599 3.584 12.021 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.743 3.976 9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.607 2.376 12.722 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.682 2.556 11.412 1.00 0.00 H new ATOM 682 N ALA A 46 1.294 5.684 8.624 1.00 0.00 N ATOM 683 CA ALA A 46 -0.154 5.912 8.782 1.00 0.00 C ATOM 684 C ALA A 46 -0.953 4.915 7.905 1.00 0.00 C ATOM 685 O ALA A 46 -2.031 4.462 8.293 1.00 0.00 O ATOM 686 CB ALA A 46 -0.501 7.369 8.444 1.00 0.00 C ATOM 0 H ALA A 46 1.778 6.430 8.125 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.434 5.736 9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.573 7.525 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.040 8.037 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.217 7.581 7.413 1.00 0.00 H new ATOM 692 N ILE A 47 -0.386 4.580 6.728 1.00 0.00 N ATOM 693 CA ILE A 47 -0.912 3.527 5.827 1.00 0.00 C ATOM 694 C ILE A 47 -0.729 2.133 6.464 1.00 0.00 C ATOM 695 O ILE A 47 -1.641 1.292 6.435 1.00 0.00 O ATOM 696 CB ILE A 47 -0.177 3.591 4.428 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.544 4.904 3.665 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.460 2.345 3.558 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.264 5.156 2.399 1.00 0.00 C ATOM 0 H ILE A 47 0.455 5.034 6.371 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.977 3.700 5.673 1.00 0.00 H new ATOM 0 HB ILE A 47 0.894 3.598 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.602 4.872 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.408 5.749 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.067 2.437 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.116 1.452 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.531 2.266 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.062 6.089 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.322 5.225 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.110 4.334 1.700 1.00 0.00 H new ATOM 711 N ASP A 48 0.465 1.932 7.045 1.00 0.00 N ATOM 712 CA ASP A 48 0.884 0.681 7.709 1.00 0.00 C ATOM 713 C ASP A 48 -0.141 0.272 8.775 1.00 0.00 C ATOM 714 O ASP A 48 -0.591 -0.868 8.818 1.00 0.00 O ATOM 715 CB ASP A 48 2.280 0.912 8.358 1.00 0.00 C ATOM 716 CG ASP A 48 2.942 -0.329 8.969 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.694 -0.635 10.158 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.745 -0.990 8.273 1.00 0.00 O ATOM 0 H ASP A 48 1.187 2.653 7.068 1.00 0.00 H new ATOM 0 HA ASP A 48 0.945 -0.125 6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.949 1.323 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.178 1.668 9.137 1.00 0.00 H new ATOM 723 N LYS A 49 -0.531 1.262 9.581 1.00 0.00 N ATOM 724 CA LYS A 49 -1.468 1.089 10.695 1.00 0.00 C ATOM 725 C LYS A 49 -2.918 0.958 10.190 1.00 0.00 C ATOM 726 O LYS A 49 -3.607 0.000 10.555 1.00 0.00 O ATOM 727 CB LYS A 49 -1.318 2.273 11.681 1.00 0.00 C ATOM 728 CG LYS A 49 0.089 2.372 12.306 1.00 0.00 C ATOM 729 CD LYS A 49 0.293 3.654 13.141 1.00 0.00 C ATOM 730 CE LYS A 49 1.720 3.779 13.696 1.00 0.00 C ATOM 731 NZ LYS A 49 1.891 5.031 14.468 1.00 0.00 N ATOM 0 H LYS A 49 -0.200 2.221 9.477 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.230 0.163 11.218 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.542 3.203 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.055 2.169 12.477 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.260 1.502 12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.835 2.340 11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.070 4.524 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.416 3.660 13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.940 2.923 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.435 3.756 12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.865 5.086 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.704 5.847 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.225 5.040 15.266 1.00 0.00 H new ATOM 745 N ALA A 50 -3.354 1.915 9.332 1.00 0.00 N ATOM 746 CA ALA A 50 -4.757 1.998 8.841 1.00 0.00 C ATOM 747 C ALA A 50 -5.210 0.721 8.113 1.00 0.00 C ATOM 748 O ALA A 50 -6.268 0.165 8.420 1.00 0.00 O ATOM 749 CB ALA A 50 -4.946 3.224 7.926 1.00 0.00 C ATOM 0 H ALA A 50 -2.748 2.648 8.962 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.386 2.107 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.979 3.264 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.715 4.132 8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.278 3.144 7.068 1.00 0.00 H new ATOM 755 N PHE A 51 -4.407 0.284 7.136 1.00 0.00 N ATOM 756 CA PHE A 51 -4.671 -0.951 6.371 1.00 0.00 C ATOM 757 C PHE A 51 -4.198 -2.200 7.133 1.00 0.00 C ATOM 758 O PHE A 51 -4.606 -3.311 6.793 1.00 0.00 O ATOM 759 CB PHE A 51 -3.966 -0.884 5.001 1.00 0.00 C ATOM 760 CG PHE A 51 -4.471 0.215 4.078 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.004 1.521 4.196 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.405 -0.063 3.082 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.450 2.508 3.347 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.845 0.922 2.235 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.367 2.207 2.364 1.00 0.00 C ATOM 0 H PHE A 51 -3.557 0.771 6.850 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.749 -1.028 6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.898 -0.740 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.085 -1.844 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.283 1.763 4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.788 -1.067 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.081 3.518 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.567 0.690 1.466 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.712 2.980 1.693 1.00 0.00 H new ATOM 775 N GLY A 52 -3.342 -2.016 8.159 1.00 0.00 N ATOM 776 CA GLY A 52 -2.775 -3.139 8.912 1.00 0.00 C ATOM 777 C GLY A 52 -1.710 -3.928 8.151 1.00 0.00 C ATOM 778 O GLY A 52 -1.379 -5.049 8.538 1.00 0.00 O ATOM 0 H GLY A 52 -3.032 -1.099 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.339 -2.759 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.581 -3.817 9.194 1.00 0.00 H new ATOM 782 N ILE A 53 -1.146 -3.317 7.096 1.00 0.00 N ATOM 783 CA ILE A 53 -0.162 -3.968 6.202 1.00 0.00 C ATOM 784 C ILE A 53 1.253 -3.457 6.518 1.00 0.00 C ATOM 785 O ILE A 53 1.444 -2.747 7.505 1.00 0.00 O ATOM 786 CB ILE A 53 -0.559 -3.753 4.676 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.809 -2.234 4.311 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.799 -4.620 4.333 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.424 -1.380 4.064 1.00 0.00 C ATOM 0 H ILE A 53 -1.358 -2.354 6.835 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.169 -5.043 6.379 1.00 0.00 H new ATOM 0 HB ILE A 53 0.288 -4.072 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.433 -2.197 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.382 -1.779 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.069 -4.471 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.566 -5.671 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.635 -4.327 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.119 -0.362 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.046 -1.371 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.993 -1.794 3.232 1.00 0.00 H new ATOM 801 N LYS A 54 2.235 -3.840 5.686 1.00 0.00 N ATOM 802 CA LYS A 54 3.629 -3.388 5.817 1.00 0.00 C ATOM 803 C LYS A 54 4.186 -3.118 4.402 1.00 0.00 C ATOM 804 O LYS A 54 4.308 -4.045 3.596 1.00 0.00 O ATOM 805 CB LYS A 54 4.479 -4.463 6.579 1.00 0.00 C ATOM 806 CG LYS A 54 5.742 -3.930 7.319 1.00 0.00 C ATOM 807 CD LYS A 54 6.825 -3.336 6.387 1.00 0.00 C ATOM 808 CE LYS A 54 8.003 -2.712 7.149 1.00 0.00 C ATOM 809 NZ LYS A 54 8.945 -2.041 6.224 1.00 0.00 N ATOM 0 H LYS A 54 2.084 -4.474 4.901 1.00 0.00 H new ATOM 0 HA LYS A 54 3.679 -2.469 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.836 -4.957 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.794 -5.223 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.435 -3.165 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.182 -4.745 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.200 -4.121 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.370 -2.578 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.628 -1.992 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.528 -3.486 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.262 -1.143 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.768 -2.656 6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.468 -1.852 5.319 1.00 0.00 H new ATOM 823 N LEU A 55 4.508 -1.848 4.106 1.00 0.00 N ATOM 824 CA LEU A 55 5.162 -1.459 2.843 1.00 0.00 C ATOM 825 C LEU A 55 6.687 -1.668 2.939 1.00 0.00 C ATOM 826 O LEU A 55 7.298 -1.241 3.928 1.00 0.00 O ATOM 827 CB LEU A 55 4.861 0.032 2.516 1.00 0.00 C ATOM 828 CG LEU A 55 3.354 0.400 2.367 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.159 1.897 2.020 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.671 -0.523 1.335 1.00 0.00 C ATOM 0 H LEU A 55 4.324 -1.064 4.732 1.00 0.00 H new ATOM 0 HA LEU A 55 4.766 -2.088 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.291 0.651 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.373 0.292 1.590 1.00 0.00 H new ATOM 0 HG LEU A 55 2.872 0.240 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.095 2.113 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.585 2.513 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.660 2.120 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.619 -0.252 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.160 -0.411 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.751 -1.559 1.664 1.00 0.00 H new ATOM 842 N PRO A 56 7.331 -2.346 1.940 1.00 0.00 N ATOM 843 CA PRO A 56 8.811 -2.350 1.799 1.00 0.00 C ATOM 844 C PRO A 56 9.309 -0.997 1.241 1.00 0.00 C ATOM 845 O PRO A 56 9.931 -0.931 0.177 1.00 0.00 O ATOM 846 CB PRO A 56 9.066 -3.528 0.826 1.00 0.00 C ATOM 847 CG PRO A 56 7.823 -3.591 -0.011 1.00 0.00 C ATOM 848 CD PRO A 56 6.681 -3.204 0.911 1.00 0.00 C ATOM 0 HA PRO A 56 9.347 -2.474 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.950 -3.354 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.231 -4.461 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.888 -2.910 -0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.676 -4.592 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.900 -2.664 0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.213 -4.081 1.359 1.00 0.00 H new ATOM 856 N LEU A 57 9.038 0.078 2.009 1.00 0.00 N ATOM 857 CA LEU A 57 9.323 1.475 1.618 1.00 0.00 C ATOM 858 C LEU A 57 10.848 1.666 1.480 1.00 0.00 C ATOM 859 O LEU A 57 11.314 2.391 0.600 1.00 0.00 O ATOM 860 CB LEU A 57 8.706 2.441 2.703 1.00 0.00 C ATOM 861 CG LEU A 57 8.351 3.915 2.285 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.591 4.790 2.019 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.393 3.914 1.081 1.00 0.00 C ATOM 0 H LEU A 57 8.609 -0.000 2.931 1.00 0.00 H new ATOM 0 HA LEU A 57 8.871 1.709 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.795 1.976 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.407 2.493 3.536 1.00 0.00 H new ATOM 0 HG LEU A 57 7.847 4.372 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.274 5.794 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.199 4.843 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.178 4.353 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.156 4.941 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.868 3.411 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.475 3.389 1.347 1.00 0.00 H new ATOM 875 N GLU A 58 11.588 0.940 2.331 1.00 0.00 N ATOM 876 CA GLU A 58 13.062 0.929 2.361 1.00 0.00 C ATOM 877 C GLU A 58 13.604 0.463 0.999 1.00 0.00 C ATOM 878 O GLU A 58 14.453 1.120 0.391 1.00 0.00 O ATOM 879 CB GLU A 58 13.588 -0.030 3.477 1.00 0.00 C ATOM 880 CG GLU A 58 12.993 0.172 4.894 1.00 0.00 C ATOM 881 CD GLU A 58 11.599 -0.464 5.091 1.00 0.00 C ATOM 882 OE1 GLU A 58 11.531 -1.698 5.262 1.00 0.00 O ATOM 883 OE2 GLU A 58 10.569 0.258 5.057 1.00 0.00 O ATOM 0 H GLU A 58 11.171 0.330 3.034 1.00 0.00 H new ATOM 0 HA GLU A 58 13.408 1.940 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.391 -1.056 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.670 0.082 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.680 -0.250 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.925 1.240 5.099 1.00 0.00 H new ATOM 890 N LYS A 59 13.029 -0.661 0.533 1.00 0.00 N ATOM 891 CA LYS A 59 13.358 -1.297 -0.754 1.00 0.00 C ATOM 892 C LYS A 59 13.123 -0.308 -1.904 1.00 0.00 C ATOM 893 O LYS A 59 14.017 -0.063 -2.713 1.00 0.00 O ATOM 894 CB LYS A 59 12.472 -2.561 -0.938 1.00 0.00 C ATOM 895 CG LYS A 59 12.574 -3.258 -2.317 1.00 0.00 C ATOM 896 CD LYS A 59 11.589 -4.442 -2.450 1.00 0.00 C ATOM 897 CE LYS A 59 11.663 -5.119 -3.831 1.00 0.00 C ATOM 898 NZ LYS A 59 11.262 -4.199 -4.912 1.00 0.00 N ATOM 0 H LYS A 59 12.308 -1.162 1.052 1.00 0.00 H new ATOM 0 HA LYS A 59 14.408 -1.589 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.737 -3.283 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.432 -2.281 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.374 -2.531 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.592 -3.617 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.805 -5.179 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.573 -4.086 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.679 -5.470 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.016 -5.996 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.391 -4.548 -5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.093 -3.252 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.020 -4.147 -5.623 1.00 0.00 H new ATOM 912 N TRP A 60 11.928 0.295 -1.889 1.00 0.00 N ATOM 913 CA TRP A 60 11.448 1.211 -2.943 1.00 0.00 C ATOM 914 C TRP A 60 12.352 2.439 -3.076 1.00 0.00 C ATOM 915 O TRP A 60 12.673 2.863 -4.186 1.00 0.00 O ATOM 916 CB TRP A 60 9.998 1.646 -2.635 1.00 0.00 C ATOM 917 CG TRP A 60 8.996 0.512 -2.588 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.191 -0.791 -2.968 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.636 0.592 -2.147 1.00 0.00 C ATOM 920 NE1 TRP A 60 8.051 -1.510 -2.777 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.084 -0.690 -2.278 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.839 1.622 -1.649 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.771 -0.975 -1.940 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.530 1.341 -1.310 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.011 0.048 -1.454 1.00 0.00 C ATOM 0 H TRP A 60 11.254 0.161 -1.135 1.00 0.00 H new ATOM 0 HA TRP A 60 11.474 0.678 -3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.984 2.165 -1.677 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.680 2.364 -3.391 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.115 -1.189 -3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.939 -2.504 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.237 2.619 -1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.365 -1.969 -2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.898 2.129 -0.929 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.986 -0.143 -1.174 1.00 0.00 H new ATOM 936 N THR A 61 12.785 2.967 -1.917 1.00 0.00 N ATOM 937 CA THR A 61 13.682 4.129 -1.832 1.00 0.00 C ATOM 938 C THR A 61 15.049 3.817 -2.472 1.00 0.00 C ATOM 939 O THR A 61 15.582 4.629 -3.231 1.00 0.00 O ATOM 940 CB THR A 61 13.877 4.560 -0.342 1.00 0.00 C ATOM 941 OG1 THR A 61 12.602 4.878 0.245 1.00 0.00 O ATOM 942 CG2 THR A 61 14.823 5.769 -0.195 1.00 0.00 C ATOM 0 H THR A 61 12.518 2.594 -1.006 1.00 0.00 H new ATOM 0 HA THR A 61 13.222 4.950 -2.382 1.00 0.00 H new ATOM 0 HB THR A 61 14.335 3.718 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.096 4.052 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.923 6.026 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.802 5.516 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.413 6.620 -0.739 1.00 0.00 H new ATOM 950 N GLN A 62 15.574 2.608 -2.205 1.00 0.00 N ATOM 951 CA GLN A 62 16.902 2.188 -2.688 1.00 0.00 C ATOM 952 C GLN A 62 16.884 1.992 -4.205 1.00 0.00 C ATOM 953 O GLN A 62 17.834 2.367 -4.880 1.00 0.00 O ATOM 954 CB GLN A 62 17.333 0.883 -1.975 1.00 0.00 C ATOM 955 CG GLN A 62 17.522 1.042 -0.458 1.00 0.00 C ATOM 956 CD GLN A 62 17.806 -0.266 0.284 1.00 0.00 C ATOM 957 OE1 GLN A 62 18.417 -1.194 -0.255 1.00 0.00 O ATOM 958 NE2 GLN A 62 17.354 -0.343 1.527 1.00 0.00 N ATOM 0 H GLN A 62 15.093 1.898 -1.652 1.00 0.00 H new ATOM 0 HA GLN A 62 17.625 2.970 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.584 0.114 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.267 0.531 -2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.344 1.734 -0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.625 1.496 -0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.854 0.445 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.507 -1.191 2.074 1.00 0.00 H new ATOM 967 N GLU A 63 15.775 1.425 -4.716 1.00 0.00 N ATOM 968 CA GLU A 63 15.568 1.194 -6.163 1.00 0.00 C ATOM 969 C GLU A 63 15.573 2.525 -6.933 1.00 0.00 C ATOM 970 O GLU A 63 16.277 2.670 -7.935 1.00 0.00 O ATOM 971 CB GLU A 63 14.221 0.459 -6.405 1.00 0.00 C ATOM 972 CG GLU A 63 14.124 -0.947 -5.791 1.00 0.00 C ATOM 973 CD GLU A 63 12.735 -1.585 -5.967 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.845 -1.344 -5.124 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.518 -2.343 -6.941 1.00 0.00 O ATOM 0 H GLU A 63 14.994 1.113 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 63 16.387 0.573 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.414 1.071 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.056 0.381 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.874 -1.591 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.360 -0.891 -4.728 1.00 0.00 H new ATOM 982 N VAL A 64 14.788 3.492 -6.427 1.00 0.00 N ATOM 983 CA VAL A 64 14.671 4.842 -7.015 1.00 0.00 C ATOM 984 C VAL A 64 16.062 5.521 -7.101 1.00 0.00 C ATOM 985 O VAL A 64 16.487 5.956 -8.184 1.00 0.00 O ATOM 986 CB VAL A 64 13.664 5.729 -6.186 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.688 7.204 -6.649 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.228 5.151 -6.264 1.00 0.00 C ATOM 0 H VAL A 64 14.213 3.360 -5.595 1.00 0.00 H new ATOM 0 HA VAL A 64 14.277 4.741 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 64 13.988 5.707 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.981 7.783 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.691 7.610 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.408 7.260 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.551 5.779 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.901 5.128 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.220 4.139 -5.858 1.00 0.00 H new ATOM 998 N ASN A 65 16.750 5.568 -5.943 1.00 0.00 N ATOM 999 CA ASN A 65 18.105 6.151 -5.801 1.00 0.00 C ATOM 1000 C ASN A 65 19.154 5.442 -6.685 1.00 0.00 C ATOM 1001 O ASN A 65 20.056 6.092 -7.214 1.00 0.00 O ATOM 1002 CB ASN A 65 18.558 6.111 -4.310 1.00 0.00 C ATOM 1003 CG ASN A 65 17.715 6.978 -3.371 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.167 8.002 -3.776 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.629 6.584 -2.106 1.00 0.00 N ATOM 0 H ASN A 65 16.379 5.199 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 65 18.040 7.185 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.525 5.079 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.597 6.435 -4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.095 7.136 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.097 5.729 -1.805 1.00 0.00 H new ATOM 1012 N ASP A 66 19.019 4.115 -6.853 1.00 0.00 N ATOM 1013 CA ASP A 66 20.004 3.284 -7.596 1.00 0.00 C ATOM 1014 C ASP A 66 19.662 3.216 -9.107 1.00 0.00 C ATOM 1015 O ASP A 66 20.330 2.512 -9.873 1.00 0.00 O ATOM 1016 CB ASP A 66 20.045 1.859 -6.957 1.00 0.00 C ATOM 1017 CG ASP A 66 21.255 1.001 -7.363 1.00 0.00 C ATOM 1018 OD1 ASP A 66 22.397 1.490 -7.261 1.00 0.00 O ATOM 1019 OD2 ASP A 66 21.077 -0.176 -7.740 1.00 0.00 O ATOM 0 H ASP A 66 18.231 3.583 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 66 20.990 3.742 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.040 1.963 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.133 1.328 -7.231 1.00 0.00 H new ATOM 1024 N GLY A 67 18.622 3.974 -9.527 1.00 0.00 N ATOM 1025 CA GLY A 67 18.161 3.997 -10.931 1.00 0.00 C ATOM 1026 C GLY A 67 17.377 2.754 -11.359 1.00 0.00 C ATOM 1027 O GLY A 67 16.954 2.652 -12.515 1.00 0.00 O ATOM 0 H GLY A 67 18.085 4.580 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.534 4.876 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.027 4.108 -11.583 1.00 0.00 H new ATOM 1031 N LYS A 68 17.183 1.808 -10.423 1.00 0.00 N ATOM 1032 CA LYS A 68 16.451 0.540 -10.665 1.00 0.00 C ATOM 1033 C LYS A 68 14.942 0.797 -10.798 1.00 0.00 C ATOM 1034 O LYS A 68 14.208 -0.020 -11.351 1.00 0.00 O ATOM 1035 CB LYS A 68 16.719 -0.439 -9.494 1.00 0.00 C ATOM 1036 CG LYS A 68 18.209 -0.750 -9.246 1.00 0.00 C ATOM 1037 CD LYS A 68 18.878 -1.549 -10.385 1.00 0.00 C ATOM 1038 CE LYS A 68 18.333 -2.983 -10.507 1.00 0.00 C ATOM 1039 NZ LYS A 68 18.498 -3.755 -9.242 1.00 0.00 N ATOM 0 H LYS A 68 17.530 1.897 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 68 16.805 0.103 -11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.292 -0.020 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.194 -1.374 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.748 0.187 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.303 -1.312 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.725 -1.025 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.954 -1.587 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.277 -2.947 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.850 -3.499 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.326 -4.764 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.465 -3.628 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.817 -3.412 -8.535 1.00 0.00 H new ATOM 1053 N ALA A 69 14.506 1.932 -10.239 1.00 0.00 N ATOM 1054 CA ALA A 69 13.130 2.429 -10.328 1.00 0.00 C ATOM 1055 C ALA A 69 13.149 3.943 -10.531 1.00 0.00 C ATOM 1056 O ALA A 69 14.180 4.600 -10.319 1.00 0.00 O ATOM 1057 CB ALA A 69 12.347 2.070 -9.055 1.00 0.00 C ATOM 0 H ALA A 69 15.117 2.545 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 69 12.634 1.959 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.327 2.446 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.326 0.987 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.832 2.522 -8.190 1.00 0.00 H new ATOM 1063 N THR A 70 12.011 4.489 -10.974 1.00 0.00 N ATOM 1064 CA THR A 70 11.791 5.941 -11.037 1.00 0.00 C ATOM 1065 C THR A 70 11.098 6.408 -9.747 1.00 0.00 C ATOM 1066 O THR A 70 10.527 5.583 -9.013 1.00 0.00 O ATOM 1067 CB THR A 70 10.920 6.332 -12.280 1.00 0.00 C ATOM 1068 OG1 THR A 70 9.598 5.781 -12.168 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.554 5.854 -13.599 1.00 0.00 C ATOM 0 H THR A 70 11.216 3.939 -11.299 1.00 0.00 H new ATOM 0 HA THR A 70 12.759 6.432 -11.138 1.00 0.00 H new ATOM 0 HB THR A 70 10.865 7.421 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.069 6.037 -12.952 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.918 6.146 -14.435 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.538 6.309 -13.716 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.655 4.769 -13.582 1.00 0.00 H new ATOM 1077 N THR A 71 11.150 7.724 -9.469 1.00 0.00 N ATOM 1078 CA THR A 71 10.393 8.324 -8.359 1.00 0.00 C ATOM 1079 C THR A 71 8.881 8.054 -8.563 1.00 0.00 C ATOM 1080 O THR A 71 8.229 7.475 -7.699 1.00 0.00 O ATOM 1081 CB THR A 71 10.663 9.859 -8.244 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.334 10.491 -9.490 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.127 10.187 -7.884 1.00 0.00 C ATOM 0 H THR A 71 11.710 8.391 -10.000 1.00 0.00 H new ATOM 0 HA THR A 71 10.724 7.865 -7.427 1.00 0.00 H new ATOM 0 HB THR A 71 10.038 10.235 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.500 11.454 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.252 11.268 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.376 9.734 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.789 9.791 -8.655 1.00 0.00 H new ATOM 1091 N GLU A 72 8.378 8.436 -9.755 1.00 0.00 N ATOM 1092 CA GLU A 72 6.976 8.229 -10.198 1.00 0.00 C ATOM 1093 C GLU A 72 6.446 6.803 -9.923 1.00 0.00 C ATOM 1094 O GLU A 72 5.309 6.632 -9.465 1.00 0.00 O ATOM 1095 CB GLU A 72 6.868 8.549 -11.713 1.00 0.00 C ATOM 1096 CG GLU A 72 7.343 9.964 -12.108 1.00 0.00 C ATOM 1097 CD GLU A 72 7.198 10.248 -13.611 1.00 0.00 C ATOM 1098 OE1 GLU A 72 6.089 10.625 -14.047 1.00 0.00 O ATOM 1099 OE2 GLU A 72 8.181 10.073 -14.370 1.00 0.00 O ATOM 0 H GLU A 72 8.947 8.909 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 72 6.353 8.905 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.453 7.816 -12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.830 8.429 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.771 10.703 -11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.387 10.084 -11.820 1.00 0.00 H new ATOM 1106 N GLN A 73 7.308 5.810 -10.175 1.00 0.00 N ATOM 1107 CA GLN A 73 6.982 4.378 -10.024 1.00 0.00 C ATOM 1108 C GLN A 73 6.364 4.048 -8.643 1.00 0.00 C ATOM 1109 O GLN A 73 5.436 3.251 -8.563 1.00 0.00 O ATOM 1110 CB GLN A 73 8.253 3.536 -10.274 1.00 0.00 C ATOM 1111 CG GLN A 73 8.064 2.006 -10.218 1.00 0.00 C ATOM 1112 CD GLN A 73 9.280 1.238 -10.735 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.996 1.717 -11.616 1.00 0.00 O ATOM 1114 NE2 GLN A 73 9.529 0.055 -10.198 1.00 0.00 N ATOM 0 H GLN A 73 8.263 5.975 -10.493 1.00 0.00 H new ATOM 0 HA GLN A 73 6.222 4.128 -10.764 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.654 3.798 -11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.004 3.818 -9.536 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.862 1.707 -9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.189 1.731 -10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.917 -0.314 -9.470 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.333 -0.488 -10.512 1.00 0.00 H new ATOM 1123 N TYR A 74 6.849 4.698 -7.566 1.00 0.00 N ATOM 1124 CA TYR A 74 6.367 4.428 -6.188 1.00 0.00 C ATOM 1125 C TYR A 74 5.726 5.663 -5.524 1.00 0.00 C ATOM 1126 O TYR A 74 5.053 5.526 -4.496 1.00 0.00 O ATOM 1127 CB TYR A 74 7.528 3.882 -5.319 1.00 0.00 C ATOM 1128 CG TYR A 74 8.048 2.515 -5.787 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.215 1.391 -5.749 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.353 2.342 -6.255 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.664 0.154 -6.160 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.805 1.102 -6.666 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.960 0.012 -6.613 1.00 0.00 C ATOM 1134 OH TYR A 74 9.406 -1.224 -7.020 1.00 0.00 O ATOM 0 H TYR A 74 7.574 5.414 -7.619 1.00 0.00 H new ATOM 0 HA TYR A 74 5.582 3.676 -6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.349 4.599 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.191 3.800 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.201 1.495 -5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.019 3.191 -6.296 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.004 -0.700 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.816 0.986 -7.027 1.00 0.00 H new ATOM 0 HH TYR A 74 10.133 -1.519 -6.433 1.00 0.00 H new ATOM 1144 N PHE A 75 5.928 6.863 -6.101 1.00 0.00 N ATOM 1145 CA PHE A 75 5.461 8.136 -5.502 1.00 0.00 C ATOM 1146 C PHE A 75 4.273 8.740 -6.281 1.00 0.00 C ATOM 1147 O PHE A 75 3.854 9.853 -5.980 1.00 0.00 O ATOM 1148 CB PHE A 75 6.640 9.147 -5.406 1.00 0.00 C ATOM 1149 CG PHE A 75 7.712 8.773 -4.366 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.790 7.940 -4.684 1.00 0.00 C ATOM 1151 CD2 PHE A 75 7.639 9.268 -3.062 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.755 7.627 -3.741 1.00 0.00 C ATOM 1153 CE2 PHE A 75 8.605 8.955 -2.123 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.660 8.134 -2.460 1.00 0.00 C ATOM 0 H PHE A 75 6.416 6.981 -6.989 1.00 0.00 H new ATOM 0 HA PHE A 75 5.101 7.920 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.113 9.230 -6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.240 10.131 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.871 7.534 -5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.814 9.906 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.582 6.986 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.533 9.355 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.411 7.888 -1.724 1.00 0.00 H new ATOM 1164 N VAL A 76 3.707 8.004 -7.254 1.00 0.00 N ATOM 1165 CA VAL A 76 2.415 8.378 -7.875 1.00 0.00 C ATOM 1166 C VAL A 76 1.314 7.639 -7.101 1.00 0.00 C ATOM 1167 O VAL A 76 1.406 6.437 -6.901 1.00 0.00 O ATOM 1168 CB VAL A 76 2.355 8.064 -9.419 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.914 8.166 -9.979 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.306 9.010 -10.197 1.00 0.00 C ATOM 0 H VAL A 76 4.119 7.149 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 76 2.280 9.458 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 76 2.683 7.034 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.921 7.942 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.272 7.453 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.534 9.176 -9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.255 8.782 -11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.005 10.045 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.328 8.869 -9.845 1.00 0.00 H new ATOM 1180 N LEU A 77 0.305 8.396 -6.649 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.681 7.945 -5.639 1.00 0.00 C ATOM 1182 C LEU A 77 -1.434 6.646 -6.019 1.00 0.00 C ATOM 1183 O LEU A 77 -1.764 5.860 -5.133 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.681 9.088 -5.320 1.00 0.00 C ATOM 1185 CG LEU A 77 -1.041 10.465 -4.932 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.095 11.445 -4.394 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.139 10.298 -3.946 1.00 0.00 C ATOM 0 H LEU A 77 0.143 9.349 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.106 7.695 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.321 9.238 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.325 8.764 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.632 10.896 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.616 12.389 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.852 11.620 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.566 11.022 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.553 11.277 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.215 9.818 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.912 9.681 -4.405 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.698 6.425 -7.327 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.375 5.185 -7.807 1.00 0.00 C ATOM 1201 C LYS A 78 -1.403 3.987 -7.817 1.00 0.00 C ATOM 1202 O LYS A 78 -1.808 2.854 -7.538 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.000 5.376 -9.220 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.999 5.728 -10.347 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.683 5.895 -11.719 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.702 6.327 -12.823 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.630 5.319 -13.056 1.00 0.00 N ATOM 0 H LYS A 78 -1.457 7.081 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.183 4.975 -7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.522 4.460 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.750 6.165 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.479 6.651 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.244 4.945 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.152 4.953 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.479 6.635 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.251 6.490 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.248 7.280 -12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.005 5.647 -13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.076 5.194 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.060 4.411 -13.327 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.123 4.261 -8.150 1.00 0.00 N ATOM 1222 CA ASN A 79 0.961 3.249 -8.167 1.00 0.00 C ATOM 1223 C ASN A 79 1.231 2.760 -6.736 1.00 0.00 C ATOM 1224 O ASN A 79 1.318 1.561 -6.489 1.00 0.00 O ATOM 1225 CB ASN A 79 2.268 3.845 -8.778 1.00 0.00 C ATOM 1226 CG ASN A 79 2.151 4.263 -10.249 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.076 4.618 -10.731 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.272 4.258 -10.962 1.00 0.00 N ATOM 0 H ASN A 79 0.191 5.194 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 79 0.644 2.411 -8.787 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.566 4.713 -8.190 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.066 3.108 -8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.257 4.554 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.148 3.958 -10.533 1.00 0.00 H new ATOM 1235 N LEU A 80 1.328 3.738 -5.812 1.00 0.00 N ATOM 1236 CA LEU A 80 1.488 3.508 -4.372 1.00 0.00 C ATOM 1237 C LEU A 80 0.301 2.687 -3.834 1.00 0.00 C ATOM 1238 O LEU A 80 0.497 1.627 -3.240 1.00 0.00 O ATOM 1239 CB LEU A 80 1.585 4.871 -3.624 1.00 0.00 C ATOM 1240 CG LEU A 80 1.746 4.793 -2.070 1.00 0.00 C ATOM 1241 CD1 LEU A 80 3.092 4.144 -1.661 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.540 6.178 -1.406 1.00 0.00 C ATOM 0 H LEU A 80 1.296 4.728 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 80 2.407 2.947 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.432 5.425 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.689 5.450 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 80 0.958 4.140 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.164 4.109 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.144 3.131 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.917 4.734 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.659 6.085 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.278 6.881 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.538 6.544 -1.630 1.00 0.00 H new ATOM 1254 N ALA A 81 -0.933 3.166 -4.124 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.185 2.558 -3.616 1.00 0.00 C ATOM 1256 C ALA A 81 -2.391 1.140 -4.179 1.00 0.00 C ATOM 1257 O ALA A 81 -3.026 0.298 -3.539 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.393 3.453 -3.940 1.00 0.00 C ATOM 0 H ALA A 81 -1.087 3.983 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.097 2.474 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.302 2.989 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.259 4.428 -3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.474 3.577 -5.020 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.829 0.891 -5.376 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.857 -0.430 -6.013 1.00 0.00 C ATOM 1266 C ALA A 82 -1.042 -1.423 -5.170 1.00 0.00 C ATOM 1267 O ALA A 82 -1.544 -2.479 -4.812 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.318 -0.354 -7.448 1.00 0.00 C ATOM 0 H ALA A 82 -1.344 1.601 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.889 -0.778 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.348 -1.345 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.933 0.331 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.289 0.006 -7.432 1.00 0.00 H new ATOM 1274 N ARG A 83 0.198 -1.013 -4.803 1.00 0.00 N ATOM 1275 CA ARG A 83 1.129 -1.840 -3.984 1.00 0.00 C ATOM 1276 C ARG A 83 0.477 -2.229 -2.644 1.00 0.00 C ATOM 1277 O ARG A 83 0.534 -3.382 -2.218 1.00 0.00 O ATOM 1278 CB ARG A 83 2.454 -1.073 -3.689 1.00 0.00 C ATOM 1279 CG ARG A 83 3.195 -0.463 -4.904 1.00 0.00 C ATOM 1280 CD ARG A 83 3.744 -1.501 -5.906 1.00 0.00 C ATOM 1281 NE ARG A 83 2.683 -2.215 -6.642 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.075 -1.778 -7.769 1.00 0.00 C ATOM 1283 NH1 ARG A 83 2.319 -0.573 -8.259 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.186 -2.541 -8.368 1.00 0.00 N ATOM 0 H ARG A 83 0.582 -0.105 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 83 1.353 -2.738 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.231 -0.268 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.136 -1.756 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.514 0.206 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.023 0.146 -4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.397 -0.998 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.356 -2.226 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 83 2.382 -3.115 -6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.977 0.046 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.849 -0.264 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.958 -3.457 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.725 -2.216 -9.218 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.170 -1.230 -2.030 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.823 -1.345 -0.719 1.00 0.00 C ATOM 1300 C ILE A 84 -1.986 -2.348 -0.784 1.00 0.00 C ATOM 1301 O ILE A 84 -2.059 -3.275 0.020 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.340 0.068 -0.254 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.156 1.087 -0.199 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.087 -0.014 1.101 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.553 2.535 -0.062 1.00 0.00 C ATOM 0 H ILE A 84 -0.256 -0.300 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.097 -1.711 0.006 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.062 0.425 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.488 0.824 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.439 0.975 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.429 0.980 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.945 -0.679 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.413 -0.401 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.342 3.157 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.169 2.825 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.119 2.671 0.859 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.853 -2.162 -1.793 1.00 0.00 N ATOM 1318 CA ASP A 85 -4.057 -2.995 -2.009 1.00 0.00 C ATOM 1319 C ASP A 85 -3.677 -4.458 -2.321 1.00 0.00 C ATOM 1320 O ASP A 85 -4.385 -5.387 -1.935 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.911 -2.399 -3.157 1.00 0.00 C ATOM 1322 CG ASP A 85 -6.229 -3.160 -3.372 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -7.191 -2.909 -2.620 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -6.300 -4.019 -4.274 1.00 0.00 O ATOM 0 H ASP A 85 -2.741 -1.425 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.644 -2.994 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.131 -1.355 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.332 -2.414 -4.081 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.555 -4.625 -3.028 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.984 -5.940 -3.346 1.00 0.00 C ATOM 1331 C GLU A 86 -1.512 -6.667 -2.075 1.00 0.00 C ATOM 1332 O GLU A 86 -1.594 -7.888 -2.006 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.825 -5.792 -4.354 1.00 0.00 C ATOM 1334 CG GLU A 86 -1.266 -5.377 -5.774 1.00 0.00 C ATOM 1335 CD GLU A 86 -0.105 -5.087 -6.743 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.014 -4.749 -6.294 1.00 0.00 O ATOM 1337 OE2 GLU A 86 -0.316 -5.161 -7.969 1.00 0.00 O ATOM 0 H GLU A 86 -2.012 -3.845 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.767 -6.547 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.121 -5.052 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.289 -6.739 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.885 -6.170 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.893 -4.488 -5.701 1.00 0.00 H new ATOM 1344 N LEU A 87 -1.027 -5.898 -1.082 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.601 -6.441 0.230 1.00 0.00 C ATOM 1346 C LEU A 87 -1.820 -6.723 1.140 1.00 0.00 C ATOM 1347 O LEU A 87 -1.787 -7.639 1.971 1.00 0.00 O ATOM 1348 CB LEU A 87 0.406 -5.475 0.910 1.00 0.00 C ATOM 1349 CG LEU A 87 1.739 -5.247 0.125 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.619 -4.186 0.808 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.512 -6.579 -0.087 1.00 0.00 C ATOM 0 H LEU A 87 -0.918 -4.887 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.097 -7.393 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.081 -4.511 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.647 -5.864 1.899 1.00 0.00 H new ATOM 0 HG LEU A 87 1.475 -4.866 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.537 -4.052 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.079 -3.240 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.865 -4.513 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.433 -6.382 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.753 -7.018 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.892 -7.273 -0.655 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.909 -5.952 0.943 1.00 0.00 N ATOM 1364 CA VAL A 88 -4.190 -6.171 1.645 1.00 0.00 C ATOM 1365 C VAL A 88 -4.822 -7.483 1.122 1.00 0.00 C ATOM 1366 O VAL A 88 -5.313 -8.317 1.895 1.00 0.00 O ATOM 1367 CB VAL A 88 -5.177 -4.945 1.448 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.559 -5.214 2.098 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.557 -3.629 2.003 1.00 0.00 C ATOM 0 H VAL A 88 -2.925 -5.164 0.296 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.003 -6.255 2.716 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.331 -4.824 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.208 -4.352 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.010 -6.095 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.431 -5.384 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.256 -2.806 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.353 -3.744 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.627 -3.415 1.476 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.729 -7.664 -0.206 1.00 0.00 N ATOM 1380 CA ALA A 89 -5.189 -8.869 -0.916 1.00 0.00 C ATOM 1381 C ALA A 89 -4.244 -10.055 -0.637 1.00 0.00 C ATOM 1382 O ALA A 89 -4.674 -11.207 -0.644 1.00 0.00 O ATOM 1383 CB ALA A 89 -5.297 -8.587 -2.427 1.00 0.00 C ATOM 0 H ALA A 89 -4.324 -6.964 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.179 -9.138 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.638 -9.485 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.009 -7.779 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.320 -8.296 -2.814 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.953 -9.750 -0.377 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.940 -10.755 0.026 1.00 0.00 C ATOM 1391 C ALA A 90 -2.201 -11.264 1.455 1.00 0.00 C ATOM 1392 O ALA A 90 -1.735 -12.346 1.827 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.514 -10.186 -0.089 1.00 0.00 C ATOM 0 H ALA A 90 -2.583 -8.802 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.026 -11.599 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.206 -10.946 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.321 -9.893 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.416 -9.315 0.559 1.00 0.00 H new