USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 675 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 62 GLN : amide:sc=-0.00846 X(o=-0.88,f=-1.2) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.874 X(o=-0.88,f=-0.7) USER MOD Single : A 4 THR OG1 : rot 39:sc= 0.241 USER MOD Single : A 10 THR OG1 : rot 78:sc= 0.279 USER MOD Single : A 15 THR OG1 : rot 89:sc= 0.144 USER MOD Single : A 16 CYS SG : rot 81:sc= -0.423 USER MOD Single : A 22 THR OG1 : rot -9:sc= 1.07 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 27 SER OG : rot 101:sc= 0.534 USER MOD Single : A 28 HIS : no HD1:sc= -3.75! C(o=-3.8!,f=-11!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.497 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00654 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.004 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.314 K(o=-0.31,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.444 10.841 4.672 1.00 0.00 N ATOM 46 CA THR A 4 0.687 9.905 3.557 1.00 0.00 C ATOM 47 C THR A 4 -0.301 8.715 3.619 1.00 0.00 C ATOM 48 O THR A 4 -0.569 8.087 2.603 1.00 0.00 O ATOM 49 CB THR A 4 2.170 9.408 3.548 1.00 0.00 C ATOM 50 OG1 THR A 4 3.052 10.526 3.759 1.00 0.00 O ATOM 51 CG2 THR A 4 2.560 8.715 2.222 1.00 0.00 C ATOM 0 HA THR A 4 0.515 10.440 2.623 1.00 0.00 H new ATOM 0 HB THR A 4 2.264 8.674 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.658 11.133 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.599 8.391 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.917 7.849 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.438 9.416 1.396 1.00 0.00 H new ATOM 59 N PHE A 5 -0.915 8.500 4.809 1.00 0.00 N ATOM 60 CA PHE A 5 -1.980 7.506 4.984 1.00 0.00 C ATOM 61 C PHE A 5 -3.235 7.930 4.213 1.00 0.00 C ATOM 62 O PHE A 5 -3.808 7.121 3.502 1.00 0.00 O ATOM 63 CB PHE A 5 -2.317 7.273 6.484 1.00 0.00 C ATOM 64 CG PHE A 5 -3.570 6.399 6.694 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.572 5.049 6.329 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.760 6.945 7.196 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.711 4.283 6.462 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.895 6.169 7.334 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.870 4.840 6.962 1.00 0.00 C ATOM 0 H PHE A 5 -0.682 9.010 5.661 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.616 6.561 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.465 6.800 6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.468 8.237 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.670 4.601 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.790 7.987 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.696 3.242 6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.801 6.602 7.732 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.759 4.235 7.062 1.00 0.00 H new ATOM 79 N ASP A 6 -3.635 9.207 4.366 1.00 0.00 N ATOM 80 CA ASP A 6 -4.853 9.768 3.718 1.00 0.00 C ATOM 81 C ASP A 6 -4.827 9.559 2.197 1.00 0.00 C ATOM 82 O ASP A 6 -5.832 9.157 1.599 1.00 0.00 O ATOM 83 CB ASP A 6 -4.995 11.282 4.034 1.00 0.00 C ATOM 84 CG ASP A 6 -6.135 11.967 3.246 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.315 11.673 3.520 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.861 12.765 2.316 1.00 0.00 O ATOM 0 H ASP A 6 -3.130 9.883 4.939 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.712 9.234 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.174 11.408 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.054 11.783 3.807 1.00 0.00 H new ATOM 91 N ARG A 7 -3.661 9.828 1.604 1.00 0.00 N ATOM 92 CA ARG A 7 -3.429 9.688 0.160 1.00 0.00 C ATOM 93 C ARG A 7 -3.650 8.225 -0.301 1.00 0.00 C ATOM 94 O ARG A 7 -4.452 7.954 -1.204 1.00 0.00 O ATOM 95 CB ARG A 7 -1.986 10.152 -0.171 1.00 0.00 C ATOM 96 CG ARG A 7 -1.647 11.601 0.248 1.00 0.00 C ATOM 97 CD ARG A 7 -2.514 12.653 -0.467 1.00 0.00 C ATOM 98 NE ARG A 7 -2.349 12.615 -1.933 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.066 13.331 -2.807 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.042 14.128 -2.406 1.00 0.00 N ATOM 101 NH2 ARG A 7 -2.794 13.240 -4.094 1.00 0.00 N ATOM 0 H ARG A 7 -2.841 10.153 2.117 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.144 10.312 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.284 9.476 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.828 10.055 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.778 11.702 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.596 11.799 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.562 12.487 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.253 13.646 -0.100 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.632 11.994 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.261 14.206 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.576 14.665 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.043 12.628 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.334 13.781 -4.769 1.00 0.00 H new ATOM 115 N VAL A 8 -2.918 7.303 0.348 1.00 0.00 N ATOM 116 CA VAL A 8 -3.004 5.848 0.079 1.00 0.00 C ATOM 117 C VAL A 8 -4.429 5.306 0.341 1.00 0.00 C ATOM 118 O VAL A 8 -4.928 4.461 -0.399 1.00 0.00 O ATOM 119 CB VAL A 8 -1.973 5.063 0.975 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.028 3.537 0.702 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.541 5.613 0.766 1.00 0.00 C ATOM 0 H VAL A 8 -2.246 7.542 1.077 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.765 5.696 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.252 5.217 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.304 3.027 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.029 3.164 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.790 3.346 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.157 5.058 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.257 5.500 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.513 6.668 1.038 1.00 0.00 H new ATOM 131 N ALA A 9 -5.069 5.848 1.383 1.00 0.00 N ATOM 132 CA ALA A 9 -6.401 5.422 1.847 1.00 0.00 C ATOM 133 C ALA A 9 -7.470 5.762 0.799 1.00 0.00 C ATOM 134 O ALA A 9 -8.369 4.968 0.554 1.00 0.00 O ATOM 135 CB ALA A 9 -6.743 6.076 3.198 1.00 0.00 C ATOM 0 H ALA A 9 -4.673 6.607 1.938 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.384 4.341 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.731 5.747 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.002 5.784 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.739 7.160 3.089 1.00 0.00 H new ATOM 141 N THR A 10 -7.351 6.964 0.200 1.00 0.00 N ATOM 142 CA THR A 10 -8.188 7.413 -0.931 1.00 0.00 C ATOM 143 C THR A 10 -8.090 6.449 -2.135 1.00 0.00 C ATOM 144 O THR A 10 -9.103 6.122 -2.767 1.00 0.00 O ATOM 145 CB THR A 10 -7.748 8.846 -1.374 1.00 0.00 C ATOM 146 OG1 THR A 10 -7.931 9.759 -0.285 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.509 9.355 -2.608 1.00 0.00 C ATOM 0 H THR A 10 -6.663 7.658 0.491 1.00 0.00 H new ATOM 0 HA THR A 10 -9.224 7.426 -0.594 1.00 0.00 H new ATOM 0 HB THR A 10 -6.696 8.786 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.197 9.655 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.158 10.354 -2.865 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.334 8.682 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.576 9.391 -2.388 1.00 0.00 H new ATOM 155 N ILE A 11 -6.850 6.010 -2.425 1.00 0.00 N ATOM 156 CA ILE A 11 -6.562 5.026 -3.486 1.00 0.00 C ATOM 157 C ILE A 11 -7.323 3.709 -3.219 1.00 0.00 C ATOM 158 O ILE A 11 -8.034 3.216 -4.085 1.00 0.00 O ATOM 159 CB ILE A 11 -5.012 4.755 -3.601 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.259 6.026 -4.111 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.689 3.510 -4.476 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.656 6.468 -5.505 1.00 0.00 C ATOM 0 H ILE A 11 -6.018 6.329 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.903 5.440 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.652 4.528 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.442 6.846 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.187 5.829 -4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.609 3.368 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.152 2.627 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.079 3.662 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.087 7.356 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.446 5.667 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.721 6.700 -5.524 1.00 0.00 H new ATOM 174 N ILE A 12 -7.184 3.187 -1.995 1.00 0.00 N ATOM 175 CA ILE A 12 -7.837 1.934 -1.574 1.00 0.00 C ATOM 176 C ILE A 12 -9.384 2.091 -1.586 1.00 0.00 C ATOM 177 O ILE A 12 -10.113 1.152 -1.925 1.00 0.00 O ATOM 178 CB ILE A 12 -7.332 1.501 -0.143 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.771 1.363 -0.140 1.00 0.00 C ATOM 180 CG2 ILE A 12 -8.011 0.191 0.343 1.00 0.00 C ATOM 181 CD1 ILE A 12 -5.141 1.096 1.219 1.00 0.00 C ATOM 0 H ILE A 12 -6.616 3.618 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.569 1.151 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.616 2.283 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.494 0.554 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.342 2.279 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.634 -0.069 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.090 0.337 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.787 -0.616 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.059 1.018 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.379 1.915 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.533 0.163 1.625 1.00 0.00 H new ATOM 193 N ALA A 13 -9.861 3.305 -1.257 1.00 0.00 N ATOM 194 CA ALA A 13 -11.293 3.648 -1.196 1.00 0.00 C ATOM 195 C ALA A 13 -11.970 3.576 -2.575 1.00 0.00 C ATOM 196 O ALA A 13 -13.023 2.956 -2.717 1.00 0.00 O ATOM 197 CB ALA A 13 -11.487 5.048 -0.587 1.00 0.00 C ATOM 0 H ALA A 13 -9.252 4.088 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.771 2.905 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.550 5.284 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.076 5.066 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.972 5.787 -1.202 1.00 0.00 H new ATOM 203 N GLU A 14 -11.371 4.244 -3.569 1.00 0.00 N ATOM 204 CA GLU A 14 -11.923 4.302 -4.938 1.00 0.00 C ATOM 205 C GLU A 14 -11.660 3.001 -5.721 1.00 0.00 C ATOM 206 O GLU A 14 -12.576 2.454 -6.344 1.00 0.00 O ATOM 207 CB GLU A 14 -11.341 5.530 -5.691 1.00 0.00 C ATOM 208 CG GLU A 14 -11.704 6.882 -5.046 1.00 0.00 C ATOM 209 CD GLU A 14 -11.272 8.086 -5.896 1.00 0.00 C ATOM 210 OE1 GLU A 14 -11.896 8.325 -6.956 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.323 8.803 -5.517 1.00 0.00 O ATOM 0 H GLU A 14 -10.497 4.757 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.005 4.412 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.256 5.438 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.703 5.519 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.781 6.925 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.233 6.949 -4.065 1.00 0.00 H new ATOM 218 N THR A 15 -10.414 2.507 -5.658 1.00 0.00 N ATOM 219 CA THR A 15 -9.957 1.366 -6.474 1.00 0.00 C ATOM 220 C THR A 15 -10.566 0.033 -5.981 1.00 0.00 C ATOM 221 O THR A 15 -11.137 -0.719 -6.776 1.00 0.00 O ATOM 222 CB THR A 15 -8.399 1.275 -6.475 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.838 2.498 -6.993 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.880 0.096 -7.303 1.00 0.00 C ATOM 0 H THR A 15 -9.694 2.885 -5.042 1.00 0.00 H new ATOM 0 HA THR A 15 -10.302 1.538 -7.494 1.00 0.00 H new ATOM 0 HB THR A 15 -8.089 1.118 -5.442 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.711 3.136 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.791 0.080 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.270 -0.836 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.210 0.204 -8.336 1.00 0.00 H new ATOM 232 N CYS A 16 -10.433 -0.253 -4.670 1.00 0.00 N ATOM 233 CA CYS A 16 -10.936 -1.500 -4.054 1.00 0.00 C ATOM 234 C CYS A 16 -12.413 -1.370 -3.621 1.00 0.00 C ATOM 235 O CYS A 16 -13.041 -2.375 -3.266 1.00 0.00 O ATOM 236 CB CYS A 16 -10.042 -1.869 -2.845 1.00 0.00 C ATOM 237 SG CYS A 16 -10.455 -3.419 -2.031 1.00 0.00 S ATOM 0 H CYS A 16 -9.974 0.373 -4.008 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.891 -2.295 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.006 -1.919 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.101 -1.065 -2.111 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.936 -4.409 -2.695 1.00 0.00 H new ATOM 243 N ASP A 17 -12.963 -0.130 -3.675 1.00 0.00 N ATOM 244 CA ASP A 17 -14.333 0.197 -3.221 1.00 0.00 C ATOM 245 C ASP A 17 -14.508 -0.152 -1.727 1.00 0.00 C ATOM 246 O ASP A 17 -15.105 -1.172 -1.369 1.00 0.00 O ATOM 247 CB ASP A 17 -15.422 -0.460 -4.127 1.00 0.00 C ATOM 248 CG ASP A 17 -16.861 -0.056 -3.749 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.200 1.139 -3.866 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.657 -0.929 -3.332 1.00 0.00 O ATOM 0 H ASP A 17 -12.459 0.678 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.476 1.273 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.236 -0.183 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.329 -1.544 -4.065 1.00 0.00 H new ATOM 255 N ILE A 18 -13.871 0.659 -0.866 1.00 0.00 N ATOM 256 CA ILE A 18 -13.944 0.528 0.606 1.00 0.00 C ATOM 257 C ILE A 18 -14.236 1.927 1.203 1.00 0.00 C ATOM 258 O ILE A 18 -13.565 2.887 0.823 1.00 0.00 O ATOM 259 CB ILE A 18 -12.604 -0.062 1.237 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.188 -1.399 0.543 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.748 -0.261 2.774 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.946 -2.062 1.121 1.00 0.00 C ATOM 0 H ILE A 18 -13.283 1.434 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.739 -0.177 0.848 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.812 0.666 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.020 -2.100 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.019 -1.204 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.819 -0.664 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.963 0.698 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.563 -0.956 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.737 -2.982 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.097 -1.385 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.114 -2.295 2.173 1.00 0.00 H new ATOM 274 N PRO A 19 -15.265 2.081 2.112 1.00 0.00 N ATOM 275 CA PRO A 19 -15.524 3.362 2.829 1.00 0.00 C ATOM 276 C PRO A 19 -14.285 3.859 3.613 1.00 0.00 C ATOM 277 O PRO A 19 -13.594 3.058 4.245 1.00 0.00 O ATOM 278 CB PRO A 19 -16.694 3.001 3.793 1.00 0.00 C ATOM 279 CG PRO A 19 -17.374 1.844 3.138 1.00 0.00 C ATOM 280 CD PRO A 19 -16.265 1.041 2.494 1.00 0.00 C ATOM 0 HA PRO A 19 -15.761 4.178 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.325 2.736 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.376 3.841 3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.921 1.245 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.097 2.182 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.843 0.312 3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.621 0.487 1.625 1.00 0.00 H new ATOM 288 N ARG A 20 -14.033 5.179 3.575 1.00 0.00 N ATOM 289 CA ARG A 20 -12.895 5.812 4.284 1.00 0.00 C ATOM 290 C ARG A 20 -12.976 5.608 5.813 1.00 0.00 C ATOM 291 O ARG A 20 -11.942 5.553 6.487 1.00 0.00 O ATOM 292 CB ARG A 20 -12.814 7.324 3.927 1.00 0.00 C ATOM 293 CG ARG A 20 -12.210 7.635 2.537 1.00 0.00 C ATOM 294 CD ARG A 20 -10.729 7.217 2.427 1.00 0.00 C ATOM 295 NE ARG A 20 -9.925 7.774 3.533 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.025 8.753 3.442 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.737 9.321 2.283 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.411 9.169 4.531 1.00 0.00 N ATOM 0 H ARG A 20 -14.609 5.841 3.054 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.982 5.321 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.817 7.747 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.219 7.830 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.787 7.119 1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.298 8.703 2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.655 6.130 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.324 7.557 1.474 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.073 7.370 4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.208 9.012 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.044 10.068 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.626 8.743 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.721 9.918 4.473 1.00 0.00 H new ATOM 312 N GLU A 21 -14.213 5.481 6.336 1.00 0.00 N ATOM 313 CA GLU A 21 -14.472 5.233 7.770 1.00 0.00 C ATOM 314 C GLU A 21 -13.959 3.838 8.199 1.00 0.00 C ATOM 315 O GLU A 21 -13.441 3.679 9.311 1.00 0.00 O ATOM 316 CB GLU A 21 -15.990 5.376 8.075 1.00 0.00 C ATOM 317 CG GLU A 21 -16.905 4.410 7.293 1.00 0.00 C ATOM 318 CD GLU A 21 -18.395 4.665 7.534 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.960 4.100 8.494 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.005 5.455 6.779 1.00 0.00 O ATOM 0 H GLU A 21 -15.062 5.548 5.775 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.926 5.979 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.148 5.218 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.295 6.399 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.695 4.503 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.668 3.385 7.577 1.00 0.00 H new ATOM 327 N THR A 22 -14.100 2.838 7.300 1.00 0.00 N ATOM 328 CA THR A 22 -13.667 1.449 7.567 1.00 0.00 C ATOM 329 C THR A 22 -12.150 1.286 7.327 1.00 0.00 C ATOM 330 O THR A 22 -11.518 0.381 7.892 1.00 0.00 O ATOM 331 CB THR A 22 -14.486 0.418 6.711 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.371 0.717 5.315 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.980 0.406 7.102 1.00 0.00 C ATOM 0 H THR A 22 -14.514 2.970 6.377 1.00 0.00 H new ATOM 0 HA THR A 22 -13.867 1.238 8.617 1.00 0.00 H new ATOM 0 HB THR A 22 -14.066 -0.567 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.921 1.580 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.511 -0.320 6.487 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.079 0.133 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.406 1.397 6.943 1.00 0.00 H new ATOM 341 N ILE A 23 -11.571 2.184 6.500 1.00 0.00 N ATOM 342 CA ILE A 23 -10.124 2.224 6.261 1.00 0.00 C ATOM 343 C ILE A 23 -9.440 2.879 7.480 1.00 0.00 C ATOM 344 O ILE A 23 -9.693 4.048 7.788 1.00 0.00 O ATOM 345 CB ILE A 23 -9.781 3.027 4.952 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.456 2.368 3.717 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.251 3.140 4.743 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.265 3.113 2.409 1.00 0.00 C ATOM 0 H ILE A 23 -12.094 2.893 5.986 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.759 1.206 6.126 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.175 4.037 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.063 1.358 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.524 2.275 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.049 3.700 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.805 3.657 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.821 2.142 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.772 2.576 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.685 4.115 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.201 3.184 2.183 1.00 0.00 H new ATOM 360 N THR A 24 -8.599 2.100 8.173 1.00 0.00 N ATOM 361 CA THR A 24 -7.892 2.517 9.402 1.00 0.00 C ATOM 362 C THR A 24 -6.403 2.137 9.284 1.00 0.00 C ATOM 363 O THR A 24 -6.095 1.099 8.695 1.00 0.00 O ATOM 364 CB THR A 24 -8.534 1.839 10.666 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.704 0.438 10.420 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.895 2.471 11.023 1.00 0.00 C ATOM 0 H THR A 24 -8.383 1.143 7.894 1.00 0.00 H new ATOM 0 HA THR A 24 -7.981 3.597 9.519 1.00 0.00 H new ATOM 0 HB THR A 24 -7.862 1.994 11.510 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.103 0.013 11.208 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.307 1.975 11.902 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.759 3.532 11.235 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.582 2.353 10.185 1.00 0.00 H new ATOM 374 N PRO A 25 -5.454 2.969 9.837 1.00 0.00 N ATOM 375 CA PRO A 25 -3.993 2.723 9.708 1.00 0.00 C ATOM 376 C PRO A 25 -3.553 1.375 10.336 1.00 0.00 C ATOM 377 O PRO A 25 -2.651 0.709 9.817 1.00 0.00 O ATOM 378 CB PRO A 25 -3.357 3.950 10.439 1.00 0.00 C ATOM 379 CG PRO A 25 -4.424 4.450 11.356 1.00 0.00 C ATOM 380 CD PRO A 25 -5.719 4.213 10.617 1.00 0.00 C ATOM 0 HA PRO A 25 -3.677 2.635 8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.464 3.660 10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.055 4.719 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.409 3.917 12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.286 5.507 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.555 4.085 11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.968 5.050 9.965 1.00 0.00 H new ATOM 388 N GLU A 26 -4.251 0.966 11.406 1.00 0.00 N ATOM 389 CA GLU A 26 -3.947 -0.270 12.159 1.00 0.00 C ATOM 390 C GLU A 26 -4.354 -1.541 11.376 1.00 0.00 C ATOM 391 O GLU A 26 -3.852 -2.640 11.658 1.00 0.00 O ATOM 392 CB GLU A 26 -4.687 -0.247 13.518 1.00 0.00 C ATOM 393 CG GLU A 26 -6.231 -0.223 13.402 1.00 0.00 C ATOM 394 CD GLU A 26 -6.943 -0.272 14.758 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.090 0.787 15.402 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.348 -1.368 15.194 1.00 0.00 O ATOM 0 H GLU A 26 -5.047 1.483 11.779 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.869 -0.303 12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.391 -1.123 14.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.363 0.629 14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.534 0.680 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.556 -1.070 12.798 1.00 0.00 H new ATOM 403 N SER A 27 -5.269 -1.372 10.401 1.00 0.00 N ATOM 404 CA SER A 27 -5.849 -2.475 9.616 1.00 0.00 C ATOM 405 C SER A 27 -4.829 -3.019 8.610 1.00 0.00 C ATOM 406 O SER A 27 -3.984 -2.276 8.111 1.00 0.00 O ATOM 407 CB SER A 27 -7.109 -1.979 8.873 1.00 0.00 C ATOM 408 OG SER A 27 -7.633 -2.957 7.997 1.00 0.00 O ATOM 0 H SER A 27 -5.629 -0.455 10.135 1.00 0.00 H new ATOM 0 HA SER A 27 -6.123 -3.281 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.871 -1.700 9.600 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.864 -1.080 8.307 1.00 0.00 H new ATOM 0 HG SER A 27 -8.406 -3.390 8.415 1.00 0.00 H new ATOM 414 N HIS A 28 -4.918 -4.329 8.337 1.00 0.00 N ATOM 415 CA HIS A 28 -4.109 -5.027 7.328 1.00 0.00 C ATOM 416 C HIS A 28 -4.983 -5.305 6.091 1.00 0.00 C ATOM 417 O HIS A 28 -6.122 -5.755 6.231 1.00 0.00 O ATOM 418 CB HIS A 28 -3.564 -6.349 7.929 1.00 0.00 C ATOM 419 CG HIS A 28 -2.587 -7.082 7.045 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.985 -7.703 5.888 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.260 -7.282 7.204 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.907 -8.258 5.387 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.845 -8.036 6.151 1.00 0.00 N ATOM 0 H HIS A 28 -5.569 -4.946 8.823 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.262 -4.410 7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.079 -6.128 8.880 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.404 -7.009 8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.646 -6.913 8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.886 -8.825 4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.104 -8.368 5.981 1.00 0.00 H new ATOM 431 N ALA A 29 -4.450 -5.018 4.893 1.00 0.00 N ATOM 432 CA ALA A 29 -5.148 -5.240 3.611 1.00 0.00 C ATOM 433 C ALA A 29 -5.630 -6.698 3.439 1.00 0.00 C ATOM 434 O ALA A 29 -6.835 -6.952 3.410 1.00 0.00 O ATOM 435 CB ALA A 29 -4.238 -4.836 2.447 1.00 0.00 C ATOM 0 H ALA A 29 -3.516 -4.623 4.783 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.040 -4.614 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.758 -5.002 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.978 -3.781 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.329 -5.437 2.470 1.00 0.00 H new ATOM 441 N ILE A 30 -4.681 -7.651 3.366 1.00 0.00 N ATOM 442 CA ILE A 30 -4.987 -9.069 3.053 1.00 0.00 C ATOM 443 C ILE A 30 -5.741 -9.756 4.210 1.00 0.00 C ATOM 444 O ILE A 30 -6.688 -10.523 3.985 1.00 0.00 O ATOM 445 CB ILE A 30 -3.679 -9.880 2.691 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.958 -9.246 1.454 1.00 0.00 C ATOM 447 CG2 ILE A 30 -3.980 -11.382 2.444 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.731 -10.007 0.973 1.00 0.00 C ATOM 0 H ILE A 30 -3.689 -7.467 3.520 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.638 -9.066 2.179 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.010 -9.820 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.670 -9.176 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.661 -8.228 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.055 -11.903 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.414 -11.819 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.683 -11.481 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.298 -9.494 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.995 -10.055 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.020 -11.018 0.685 1.00 0.00 H new ATOM 460 N ASP A 31 -5.332 -9.440 5.445 1.00 0.00 N ATOM 461 CA ASP A 31 -5.853 -10.093 6.654 1.00 0.00 C ATOM 462 C ASP A 31 -7.212 -9.486 7.052 1.00 0.00 C ATOM 463 O ASP A 31 -8.249 -10.142 6.929 1.00 0.00 O ATOM 464 CB ASP A 31 -4.819 -9.982 7.806 1.00 0.00 C ATOM 465 CG ASP A 31 -5.261 -10.703 9.086 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.114 -11.941 9.164 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.767 -10.049 10.026 1.00 0.00 O ATOM 0 H ASP A 31 -4.630 -8.724 5.635 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.014 -11.151 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.868 -10.397 7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.646 -8.929 8.031 1.00 0.00 H new ATOM 472 N ASP A 32 -7.198 -8.210 7.481 1.00 0.00 N ATOM 473 CA ASP A 32 -8.380 -7.556 8.075 1.00 0.00 C ATOM 474 C ASP A 32 -9.437 -7.246 7.003 1.00 0.00 C ATOM 475 O ASP A 32 -10.582 -7.703 7.102 1.00 0.00 O ATOM 476 CB ASP A 32 -7.979 -6.268 8.838 1.00 0.00 C ATOM 477 CG ASP A 32 -9.180 -5.604 9.540 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.519 -6.009 10.675 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.818 -4.701 8.954 1.00 0.00 O ATOM 0 H ASP A 32 -6.376 -7.608 7.427 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.819 -8.251 8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.217 -6.510 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.532 -5.560 8.140 1.00 0.00 H new ATOM 484 N LEU A 33 -9.037 -6.467 5.977 1.00 0.00 N ATOM 485 CA LEU A 33 -9.944 -6.020 4.898 1.00 0.00 C ATOM 486 C LEU A 33 -10.314 -7.189 3.964 1.00 0.00 C ATOM 487 O LEU A 33 -11.385 -7.174 3.350 1.00 0.00 O ATOM 488 CB LEU A 33 -9.306 -4.859 4.082 1.00 0.00 C ATOM 489 CG LEU A 33 -8.915 -3.580 4.890 1.00 0.00 C ATOM 490 CD1 LEU A 33 -8.273 -2.525 3.966 1.00 0.00 C ATOM 491 CD2 LEU A 33 -10.129 -2.996 5.660 1.00 0.00 C ATOM 0 H LEU A 33 -8.080 -6.131 5.873 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.858 -5.653 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.412 -5.239 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.004 -4.568 3.297 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.174 -3.871 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.009 -1.643 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.375 -2.940 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.981 -2.245 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.818 -2.108 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.914 -2.729 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.509 -3.741 6.359 1.00 0.00 H new ATOM 503 N GLY A 34 -9.414 -8.189 3.880 1.00 0.00 N ATOM 504 CA GLY A 34 -9.639 -9.380 3.059 1.00 0.00 C ATOM 505 C GLY A 34 -9.311 -9.174 1.583 1.00 0.00 C ATOM 506 O GLY A 34 -9.796 -9.917 0.723 1.00 0.00 O ATOM 0 H GLY A 34 -8.523 -8.188 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.033 -10.198 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.682 -9.684 3.152 1.00 0.00 H new ATOM 510 N ILE A 35 -8.469 -8.169 1.295 1.00 0.00 N ATOM 511 CA ILE A 35 -7.987 -7.865 -0.069 1.00 0.00 C ATOM 512 C ILE A 35 -7.017 -8.966 -0.544 1.00 0.00 C ATOM 513 O ILE A 35 -6.083 -9.308 0.168 1.00 0.00 O ATOM 514 CB ILE A 35 -7.265 -6.460 -0.104 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.225 -5.336 0.414 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.723 -6.122 -1.521 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.604 -3.943 0.501 1.00 0.00 C ATOM 0 H ILE A 35 -8.099 -7.537 2.005 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.846 -7.831 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.404 -6.515 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.093 -5.289 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.589 -5.617 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.234 -5.148 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.004 -6.882 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.550 -6.098 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.347 -3.236 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.754 -3.965 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.267 -3.633 -0.488 1.00 0.00 H new ATOM 529 N ASP A 36 -7.242 -9.521 -1.741 1.00 0.00 N ATOM 530 CA ASP A 36 -6.328 -10.531 -2.322 1.00 0.00 C ATOM 531 C ASP A 36 -5.085 -9.833 -2.875 1.00 0.00 C ATOM 532 O ASP A 36 -5.134 -8.641 -3.167 1.00 0.00 O ATOM 533 CB ASP A 36 -7.020 -11.344 -3.450 1.00 0.00 C ATOM 534 CG ASP A 36 -8.100 -12.294 -2.913 1.00 0.00 C ATOM 535 OD1 ASP A 36 -7.757 -13.396 -2.440 1.00 0.00 O ATOM 536 OD2 ASP A 36 -9.294 -11.946 -2.955 1.00 0.00 O ATOM 0 H ASP A 36 -8.044 -9.294 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.045 -11.228 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.469 -10.656 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.269 -11.921 -3.990 1.00 0.00 H new ATOM 541 N SER A 37 -3.974 -10.578 -3.036 1.00 0.00 N ATOM 542 CA SER A 37 -2.754 -10.056 -3.690 1.00 0.00 C ATOM 543 C SER A 37 -3.018 -9.750 -5.183 1.00 0.00 C ATOM 544 O SER A 37 -2.268 -9.006 -5.805 1.00 0.00 O ATOM 545 CB SER A 37 -1.605 -11.067 -3.535 1.00 0.00 C ATOM 546 OG SER A 37 -1.376 -11.368 -2.167 1.00 0.00 O ATOM 0 H SER A 37 -3.895 -11.545 -2.722 1.00 0.00 H new ATOM 0 HA SER A 37 -2.469 -9.123 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.844 -11.982 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.696 -10.661 -3.979 1.00 0.00 H new ATOM 0 HG SER A 37 -0.643 -12.014 -2.092 1.00 0.00 H new ATOM 552 N LEU A 38 -4.122 -10.323 -5.722 1.00 0.00 N ATOM 553 CA LEU A 38 -4.614 -10.066 -7.085 1.00 0.00 C ATOM 554 C LEU A 38 -5.302 -8.693 -7.126 1.00 0.00 C ATOM 555 O LEU A 38 -5.032 -7.870 -8.003 1.00 0.00 O ATOM 556 CB LEU A 38 -5.626 -11.175 -7.498 1.00 0.00 C ATOM 557 CG LEU A 38 -5.137 -12.651 -7.329 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.234 -13.662 -7.745 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.817 -12.895 -8.096 1.00 0.00 C ATOM 0 H LEU A 38 -4.701 -10.987 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.776 -10.074 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.535 -11.046 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.896 -11.021 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.934 -12.812 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.861 -14.678 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.117 -13.517 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.497 -13.503 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.503 -13.930 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.971 -12.700 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.045 -12.228 -7.713 1.00 0.00 H new ATOM 571 N ASP A 39 -6.179 -8.464 -6.133 1.00 0.00 N ATOM 572 CA ASP A 39 -6.954 -7.214 -5.994 1.00 0.00 C ATOM 573 C ASP A 39 -6.036 -6.046 -5.580 1.00 0.00 C ATOM 574 O ASP A 39 -6.276 -4.891 -5.936 1.00 0.00 O ATOM 575 CB ASP A 39 -8.081 -7.427 -4.948 1.00 0.00 C ATOM 576 CG ASP A 39 -9.092 -6.266 -4.907 1.00 0.00 C ATOM 577 OD1 ASP A 39 -10.047 -6.279 -5.713 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.939 -5.340 -4.080 1.00 0.00 O ATOM 0 H ASP A 39 -6.373 -9.144 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.400 -6.958 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.609 -8.353 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.635 -7.548 -3.961 1.00 0.00 H new ATOM 583 N PHE A 40 -4.962 -6.381 -4.857 1.00 0.00 N ATOM 584 CA PHE A 40 -3.988 -5.408 -4.351 1.00 0.00 C ATOM 585 C PHE A 40 -3.111 -4.874 -5.503 1.00 0.00 C ATOM 586 O PHE A 40 -2.536 -3.791 -5.385 1.00 0.00 O ATOM 587 CB PHE A 40 -3.122 -6.040 -3.228 1.00 0.00 C ATOM 588 CG PHE A 40 -2.440 -5.021 -2.300 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.177 -4.508 -2.586 1.00 0.00 C ATOM 590 CD2 PHE A 40 -3.077 -4.571 -1.146 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.575 -3.581 -1.760 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.470 -3.645 -0.318 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.221 -3.153 -0.628 1.00 0.00 C ATOM 0 H PHE A 40 -4.742 -7.344 -4.604 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.527 -4.563 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.751 -6.696 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.356 -6.665 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.658 -4.843 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.057 -4.950 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.403 -3.193 -2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.976 -3.307 0.574 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.750 -2.430 0.021 1.00 0.00 H new ATOM 603 N LEU A 41 -3.014 -5.644 -6.616 1.00 0.00 N ATOM 604 CA LEU A 41 -2.305 -5.198 -7.838 1.00 0.00 C ATOM 605 C LEU A 41 -2.959 -3.918 -8.388 1.00 0.00 C ATOM 606 O LEU A 41 -2.259 -3.014 -8.839 1.00 0.00 O ATOM 607 CB LEU A 41 -2.325 -6.295 -8.935 1.00 0.00 C ATOM 608 CG LEU A 41 -1.552 -7.610 -8.624 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.762 -8.664 -9.733 1.00 0.00 C ATOM 610 CD2 LEU A 41 -0.049 -7.334 -8.388 1.00 0.00 C ATOM 0 H LEU A 41 -3.419 -6.577 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.268 -4.998 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.364 -6.552 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.915 -5.868 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.961 -8.021 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.208 -9.569 -9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.823 -8.899 -9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.403 -8.269 -10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.464 -8.272 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.382 -6.881 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.068 -6.655 -7.544 1.00 0.00 H new ATOM 622 N ASP A 42 -4.311 -3.866 -8.336 1.00 0.00 N ATOM 623 CA ASP A 42 -5.110 -2.697 -8.772 1.00 0.00 C ATOM 624 C ASP A 42 -4.773 -1.459 -7.924 1.00 0.00 C ATOM 625 O ASP A 42 -4.614 -0.353 -8.461 1.00 0.00 O ATOM 626 CB ASP A 42 -6.628 -2.996 -8.655 1.00 0.00 C ATOM 627 CG ASP A 42 -7.064 -4.220 -9.460 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.379 -4.080 -10.661 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.062 -5.341 -8.911 1.00 0.00 O ATOM 0 H ASP A 42 -4.880 -4.638 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.861 -2.497 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.882 -3.150 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.190 -2.126 -8.995 1.00 0.00 H new ATOM 634 N ILE A 43 -4.677 -1.670 -6.593 1.00 0.00 N ATOM 635 CA ILE A 43 -4.341 -0.605 -5.618 1.00 0.00 C ATOM 636 C ILE A 43 -2.936 -0.060 -5.902 1.00 0.00 C ATOM 637 O ILE A 43 -2.745 1.144 -6.037 1.00 0.00 O ATOM 638 CB ILE A 43 -4.418 -1.141 -4.133 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.852 -1.666 -3.814 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.977 -0.060 -3.109 1.00 0.00 C ATOM 641 CD1 ILE A 43 -6.016 -2.277 -2.430 1.00 0.00 C ATOM 0 H ILE A 43 -4.830 -2.582 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.072 0.196 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.720 -1.973 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.557 -0.841 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.124 -2.413 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.044 -0.466 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.948 0.237 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.629 0.809 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.045 -2.613 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.341 -3.126 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.780 -1.530 -1.672 1.00 0.00 H new ATOM 653 N ALA A 44 -1.987 -0.995 -6.057 1.00 0.00 N ATOM 654 CA ALA A 44 -0.562 -0.680 -6.272 1.00 0.00 C ATOM 655 C ALA A 44 -0.344 0.027 -7.630 1.00 0.00 C ATOM 656 O ALA A 44 0.527 0.883 -7.753 1.00 0.00 O ATOM 657 CB ALA A 44 0.278 -1.964 -6.170 1.00 0.00 C ATOM 0 H ALA A 44 -2.184 -1.996 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.236 0.011 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.329 -1.725 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.152 -2.403 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.051 -2.675 -6.927 1.00 0.00 H new ATOM 663 N PHE A 45 -1.189 -0.333 -8.616 1.00 0.00 N ATOM 664 CA PHE A 45 -1.202 0.284 -9.966 1.00 0.00 C ATOM 665 C PHE A 45 -1.617 1.761 -9.870 1.00 0.00 C ATOM 666 O PHE A 45 -1.023 2.636 -10.519 1.00 0.00 O ATOM 667 CB PHE A 45 -2.173 -0.491 -10.902 1.00 0.00 C ATOM 668 CG PHE A 45 -2.068 -0.126 -12.386 1.00 0.00 C ATOM 669 CD1 PHE A 45 -1.138 -0.763 -13.206 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.890 0.851 -12.959 1.00 0.00 C ATOM 671 CE1 PHE A 45 -1.029 -0.443 -14.543 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.776 1.171 -14.300 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.846 0.525 -15.091 1.00 0.00 C ATOM 0 H PHE A 45 -1.889 -1.066 -8.501 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.198 0.231 -10.386 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.986 -1.559 -10.792 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.195 -0.311 -10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.492 -1.520 -12.787 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.621 1.360 -12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.304 -0.950 -15.162 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.416 1.928 -14.729 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.758 0.777 -16.137 1.00 0.00 H new ATOM 683 N ALA A 46 -2.658 2.010 -9.056 1.00 0.00 N ATOM 684 CA ALA A 46 -3.187 3.361 -8.813 1.00 0.00 C ATOM 685 C ALA A 46 -2.202 4.205 -7.983 1.00 0.00 C ATOM 686 O ALA A 46 -2.132 5.415 -8.154 1.00 0.00 O ATOM 687 CB ALA A 46 -4.549 3.287 -8.114 1.00 0.00 C ATOM 0 H ALA A 46 -3.156 1.279 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.316 3.848 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.925 4.296 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.251 2.740 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.440 2.773 -7.159 1.00 0.00 H new ATOM 693 N ILE A 47 -1.450 3.541 -7.091 1.00 0.00 N ATOM 694 CA ILE A 47 -0.402 4.176 -6.261 1.00 0.00 C ATOM 695 C ILE A 47 0.749 4.696 -7.149 1.00 0.00 C ATOM 696 O ILE A 47 1.249 5.811 -6.940 1.00 0.00 O ATOM 697 CB ILE A 47 0.128 3.165 -5.168 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.980 2.906 -4.091 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.442 3.648 -4.502 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.700 1.755 -3.132 1.00 0.00 C ATOM 0 H ILE A 47 -1.549 2.540 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.837 5.030 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 47 0.360 2.228 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.117 3.817 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.922 2.710 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.763 2.918 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.216 3.757 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.272 4.609 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.526 1.659 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.595 0.828 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.222 1.953 -2.585 1.00 0.00 H new ATOM 712 N ASP A 48 1.145 3.874 -8.143 1.00 0.00 N ATOM 713 CA ASP A 48 2.185 4.236 -9.136 1.00 0.00 C ATOM 714 C ASP A 48 1.860 5.564 -9.830 1.00 0.00 C ATOM 715 O ASP A 48 2.703 6.452 -9.919 1.00 0.00 O ATOM 716 CB ASP A 48 2.330 3.145 -10.233 1.00 0.00 C ATOM 717 CG ASP A 48 2.713 1.754 -9.721 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.506 1.649 -8.764 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.249 0.750 -10.306 1.00 0.00 O ATOM 0 H ASP A 48 0.755 2.942 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 48 3.118 4.327 -8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.387 3.069 -10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.083 3.471 -10.950 1.00 0.00 H new ATOM 724 N LYS A 49 0.617 5.674 -10.299 1.00 0.00 N ATOM 725 CA LYS A 49 0.165 6.807 -11.122 1.00 0.00 C ATOM 726 C LYS A 49 -0.161 8.040 -10.254 1.00 0.00 C ATOM 727 O LYS A 49 0.135 9.170 -10.647 1.00 0.00 O ATOM 728 CB LYS A 49 -1.059 6.377 -11.973 1.00 0.00 C ATOM 729 CG LYS A 49 -0.778 5.163 -12.892 1.00 0.00 C ATOM 730 CD LYS A 49 -1.949 4.821 -13.841 1.00 0.00 C ATOM 731 CE LYS A 49 -2.246 5.943 -14.856 1.00 0.00 C ATOM 732 NZ LYS A 49 -3.322 5.572 -15.809 1.00 0.00 N ATOM 0 H LYS A 49 -0.110 4.981 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 49 0.975 7.097 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.887 6.134 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.379 7.220 -12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.113 5.366 -13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.557 4.293 -12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.717 3.902 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.844 4.626 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.535 6.847 -14.320 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.338 6.177 -15.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.486 6.357 -16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.038 4.725 -16.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.198 5.374 -15.284 1.00 0.00 H new ATOM 746 N ALA A 50 -0.744 7.804 -9.067 1.00 0.00 N ATOM 747 CA ALA A 50 -1.200 8.879 -8.155 1.00 0.00 C ATOM 748 C ALA A 50 -0.018 9.641 -7.562 1.00 0.00 C ATOM 749 O ALA A 50 0.022 10.872 -7.610 1.00 0.00 O ATOM 750 CB ALA A 50 -2.057 8.304 -7.021 1.00 0.00 C ATOM 0 H ALA A 50 -0.915 6.865 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.802 9.571 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.380 9.111 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.931 7.806 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.470 7.585 -6.450 1.00 0.00 H new ATOM 756 N PHE A 51 0.926 8.891 -6.980 1.00 0.00 N ATOM 757 CA PHE A 51 2.116 9.459 -6.327 1.00 0.00 C ATOM 758 C PHE A 51 3.206 9.786 -7.358 1.00 0.00 C ATOM 759 O PHE A 51 3.977 10.727 -7.163 1.00 0.00 O ATOM 760 CB PHE A 51 2.644 8.477 -5.251 1.00 0.00 C ATOM 761 CG PHE A 51 1.659 8.233 -4.102 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.657 7.268 -4.203 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.730 8.978 -2.926 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.236 7.053 -3.176 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.835 8.763 -1.899 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.146 7.800 -2.027 1.00 0.00 C ATOM 0 H PHE A 51 0.888 7.872 -6.948 1.00 0.00 H new ATOM 0 HA PHE A 51 1.836 10.393 -5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.878 7.524 -5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.576 8.867 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.580 6.678 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.495 9.733 -2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.004 6.300 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.902 9.348 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.845 7.634 -1.221 1.00 0.00 H new ATOM 776 N GLY A 52 3.215 9.040 -8.479 1.00 0.00 N ATOM 777 CA GLY A 52 4.241 9.191 -9.520 1.00 0.00 C ATOM 778 C GLY A 52 5.485 8.374 -9.214 1.00 0.00 C ATOM 779 O GLY A 52 6.613 8.818 -9.443 1.00 0.00 O ATOM 0 H GLY A 52 2.518 8.324 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.831 8.881 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.512 10.243 -9.613 1.00 0.00 H new ATOM 783 N ILE A 53 5.263 7.160 -8.688 1.00 0.00 N ATOM 784 CA ILE A 53 6.330 6.246 -8.228 1.00 0.00 C ATOM 785 C ILE A 53 6.189 4.859 -8.891 1.00 0.00 C ATOM 786 O ILE A 53 5.385 4.668 -9.810 1.00 0.00 O ATOM 787 CB ILE A 53 6.291 6.090 -6.652 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.903 5.535 -6.180 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.637 7.425 -5.948 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.773 5.319 -4.683 1.00 0.00 C ATOM 0 H ILE A 53 4.326 6.776 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 53 7.287 6.679 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 53 7.053 5.365 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.124 6.227 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.716 4.588 -6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.602 7.286 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.638 7.742 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.915 8.188 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.779 4.934 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.524 4.602 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.923 6.266 -4.164 1.00 0.00 H new ATOM 802 N LYS A 54 7.010 3.909 -8.426 1.00 0.00 N ATOM 803 CA LYS A 54 6.871 2.487 -8.725 1.00 0.00 C ATOM 804 C LYS A 54 6.955 1.731 -7.400 1.00 0.00 C ATOM 805 O LYS A 54 8.040 1.585 -6.825 1.00 0.00 O ATOM 806 CB LYS A 54 7.969 1.977 -9.696 1.00 0.00 C ATOM 807 CG LYS A 54 7.753 0.501 -10.120 1.00 0.00 C ATOM 808 CD LYS A 54 9.005 -0.172 -10.708 1.00 0.00 C ATOM 809 CE LYS A 54 10.136 -0.338 -9.674 1.00 0.00 C ATOM 810 NZ LYS A 54 11.247 -1.153 -10.219 1.00 0.00 N ATOM 0 H LYS A 54 7.804 4.116 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 54 5.916 2.319 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.984 2.608 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.944 2.075 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.420 -0.070 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.951 0.459 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.734 -1.151 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.370 0.420 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.511 0.643 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.743 -0.811 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.993 -1.247 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.892 -2.096 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.637 -0.688 -11.064 1.00 0.00 H new ATOM 824 N LEU A 55 5.792 1.338 -6.889 1.00 0.00 N ATOM 825 CA LEU A 55 5.682 0.479 -5.719 1.00 0.00 C ATOM 826 C LEU A 55 6.098 -0.959 -6.132 1.00 0.00 C ATOM 827 O LEU A 55 5.406 -1.575 -6.948 1.00 0.00 O ATOM 828 CB LEU A 55 4.220 0.567 -5.165 1.00 0.00 C ATOM 829 CG LEU A 55 3.917 -0.171 -3.805 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.740 0.483 -3.058 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.621 -1.678 -3.991 1.00 0.00 C ATOM 0 H LEU A 55 4.891 1.611 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 55 6.346 0.794 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.969 1.620 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.547 0.167 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 55 4.827 -0.074 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.559 -0.051 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.981 1.523 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.846 0.441 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.420 -2.132 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.751 -1.801 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.483 -2.164 -4.448 1.00 0.00 H new ATOM 843 N PRO A 56 7.241 -1.523 -5.605 1.00 0.00 N ATOM 844 CA PRO A 56 7.654 -2.896 -5.932 1.00 0.00 C ATOM 845 C PRO A 56 6.949 -3.918 -5.015 1.00 0.00 C ATOM 846 O PRO A 56 7.523 -4.436 -4.050 1.00 0.00 O ATOM 847 CB PRO A 56 9.192 -2.838 -5.729 1.00 0.00 C ATOM 848 CG PRO A 56 9.390 -1.837 -4.621 1.00 0.00 C ATOM 849 CD PRO A 56 8.209 -0.867 -4.683 1.00 0.00 C ATOM 0 HA PRO A 56 7.386 -3.224 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.593 -3.814 -5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.701 -2.526 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.430 -2.336 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.333 -1.305 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.773 -0.708 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.516 0.110 -5.058 1.00 0.00 H new ATOM 857 N LEU A 57 5.692 -4.225 -5.375 1.00 0.00 N ATOM 858 CA LEU A 57 4.842 -5.175 -4.648 1.00 0.00 C ATOM 859 C LEU A 57 5.364 -6.599 -4.836 1.00 0.00 C ATOM 860 O LEU A 57 5.301 -7.416 -3.916 1.00 0.00 O ATOM 861 CB LEU A 57 3.379 -5.086 -5.154 1.00 0.00 C ATOM 862 CG LEU A 57 2.353 -5.966 -4.388 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.300 -5.578 -2.892 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.966 -5.897 -5.053 1.00 0.00 C ATOM 0 H LEU A 57 5.235 -3.814 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 57 4.867 -4.920 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.055 -4.047 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.359 -5.368 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 57 2.684 -7.003 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.574 -6.209 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.284 -5.718 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.004 -4.533 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.265 -6.521 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.613 -4.866 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.037 -6.255 -6.080 1.00 0.00 H new ATOM 876 N GLU A 58 5.884 -6.857 -6.049 1.00 0.00 N ATOM 877 CA GLU A 58 6.470 -8.142 -6.445 1.00 0.00 C ATOM 878 C GLU A 58 7.648 -8.518 -5.533 1.00 0.00 C ATOM 879 O GLU A 58 7.789 -9.679 -5.135 1.00 0.00 O ATOM 880 CB GLU A 58 6.919 -8.074 -7.932 1.00 0.00 C ATOM 881 CG GLU A 58 7.921 -6.939 -8.250 1.00 0.00 C ATOM 882 CD GLU A 58 8.422 -6.963 -9.697 1.00 0.00 C ATOM 883 OE1 GLU A 58 9.051 -7.966 -10.082 1.00 0.00 O ATOM 884 OE2 GLU A 58 8.203 -5.988 -10.448 1.00 0.00 O ATOM 0 H GLU A 58 5.907 -6.161 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 58 5.714 -8.920 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.371 -9.027 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.036 -7.948 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.446 -5.978 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.774 -7.017 -7.576 1.00 0.00 H new ATOM 891 N LYS A 59 8.462 -7.513 -5.168 1.00 0.00 N ATOM 892 CA LYS A 59 9.643 -7.718 -4.334 1.00 0.00 C ATOM 893 C LYS A 59 9.224 -7.956 -2.881 1.00 0.00 C ATOM 894 O LYS A 59 9.769 -8.831 -2.226 1.00 0.00 O ATOM 895 CB LYS A 59 10.631 -6.522 -4.420 1.00 0.00 C ATOM 896 CG LYS A 59 11.988 -6.807 -3.734 1.00 0.00 C ATOM 897 CD LYS A 59 13.000 -5.650 -3.843 1.00 0.00 C ATOM 898 CE LYS A 59 12.577 -4.389 -3.070 1.00 0.00 C ATOM 899 NZ LYS A 59 13.687 -3.406 -2.990 1.00 0.00 N ATOM 0 H LYS A 59 8.315 -6.542 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 59 10.164 -8.598 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.805 -6.276 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.174 -5.647 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.812 -7.025 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.426 -7.702 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.967 -5.988 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.135 -5.394 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.718 -3.931 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.261 -4.666 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.371 -2.567 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.498 -3.837 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.972 -3.125 -3.950 1.00 0.00 H new ATOM 913 N TRP A 60 8.222 -7.186 -2.419 1.00 0.00 N ATOM 914 CA TRP A 60 7.701 -7.268 -1.037 1.00 0.00 C ATOM 915 C TRP A 60 7.065 -8.638 -0.763 1.00 0.00 C ATOM 916 O TRP A 60 7.273 -9.227 0.300 1.00 0.00 O ATOM 917 CB TRP A 60 6.677 -6.131 -0.784 1.00 0.00 C ATOM 918 CG TRP A 60 7.259 -4.738 -0.866 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.572 -4.389 -1.012 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.533 -3.506 -0.789 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.697 -3.031 -1.058 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.466 -2.465 -0.921 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.187 -3.187 -0.632 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.101 -1.130 -0.897 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.822 -1.859 -0.608 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.777 -0.843 -0.740 1.00 0.00 C ATOM 0 H TRP A 60 7.748 -6.488 -2.992 1.00 0.00 H new ATOM 0 HA TRP A 60 8.539 -7.148 -0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.869 -6.218 -1.511 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.235 -6.270 0.203 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.393 -5.088 -1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.573 -2.521 -1.176 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.444 -3.965 -0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.837 -0.346 -0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.782 -1.597 -0.485 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.458 0.189 -0.717 1.00 0.00 H new ATOM 937 N THR A 61 6.298 -9.124 -1.748 1.00 0.00 N ATOM 938 CA THR A 61 5.739 -10.483 -1.758 1.00 0.00 C ATOM 939 C THR A 61 6.858 -11.546 -1.703 1.00 0.00 C ATOM 940 O THR A 61 6.731 -12.534 -0.978 1.00 0.00 O ATOM 941 CB THR A 61 4.844 -10.695 -3.028 1.00 0.00 C ATOM 942 OG1 THR A 61 3.747 -9.759 -3.007 1.00 0.00 O ATOM 943 CG2 THR A 61 4.290 -12.135 -3.141 1.00 0.00 C ATOM 0 H THR A 61 6.045 -8.577 -2.571 1.00 0.00 H new ATOM 0 HA THR A 61 5.120 -10.600 -0.869 1.00 0.00 H new ATOM 0 HB THR A 61 5.478 -10.525 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.062 -8.879 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.679 -12.220 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.119 -12.840 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.682 -12.361 -2.265 1.00 0.00 H new ATOM 951 N GLN A 62 7.969 -11.299 -2.428 1.00 0.00 N ATOM 952 CA GLN A 62 9.124 -12.216 -2.506 1.00 0.00 C ATOM 953 C GLN A 62 9.870 -12.277 -1.157 1.00 0.00 C ATOM 954 O GLN A 62 10.373 -13.336 -0.770 1.00 0.00 O ATOM 955 CB GLN A 62 10.091 -11.781 -3.644 1.00 0.00 C ATOM 956 CG GLN A 62 11.179 -12.821 -3.986 1.00 0.00 C ATOM 957 CD GLN A 62 10.612 -14.088 -4.641 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.223 -15.039 -3.960 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.560 -14.103 -5.967 1.00 0.00 N ATOM 0 H GLN A 62 8.090 -10.450 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 62 8.749 -13.214 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.508 -11.575 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.575 -10.848 -3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.909 -12.368 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.710 -13.096 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.891 -13.298 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.189 -14.919 -6.454 1.00 0.00 H new ATOM 968 N GLU A 63 9.917 -11.130 -0.445 1.00 0.00 N ATOM 969 CA GLU A 63 10.495 -11.039 0.908 1.00 0.00 C ATOM 970 C GLU A 63 9.718 -11.934 1.890 1.00 0.00 C ATOM 971 O GLU A 63 10.314 -12.606 2.732 1.00 0.00 O ATOM 972 CB GLU A 63 10.489 -9.570 1.419 1.00 0.00 C ATOM 973 CG GLU A 63 11.250 -8.556 0.543 1.00 0.00 C ATOM 974 CD GLU A 63 12.730 -8.906 0.324 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.551 -8.641 1.228 1.00 0.00 O ATOM 976 OE2 GLU A 63 13.087 -9.428 -0.754 1.00 0.00 O ATOM 0 H GLU A 63 9.555 -10.243 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 63 11.527 -11.384 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.454 -9.240 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.918 -9.551 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.756 -8.486 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.185 -7.571 1.005 1.00 0.00 H new ATOM 983 N VAL A 64 8.377 -11.950 1.744 1.00 0.00 N ATOM 984 CA VAL A 64 7.492 -12.813 2.548 1.00 0.00 C ATOM 985 C VAL A 64 7.765 -14.296 2.223 1.00 0.00 C ATOM 986 O VAL A 64 7.884 -15.131 3.132 1.00 0.00 O ATOM 987 CB VAL A 64 5.972 -12.471 2.311 1.00 0.00 C ATOM 988 CG1 VAL A 64 5.035 -13.373 3.166 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.704 -10.965 2.571 1.00 0.00 C ATOM 0 H VAL A 64 7.881 -11.368 1.069 1.00 0.00 H new ATOM 0 HA VAL A 64 7.709 -12.628 3.600 1.00 0.00 H new ATOM 0 HB VAL A 64 5.743 -12.681 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.996 -13.105 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.195 -14.418 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.257 -13.229 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.649 -10.749 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.964 -10.722 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.311 -10.365 1.893 1.00 0.00 H new ATOM 999 N ASN A 65 7.888 -14.582 0.910 1.00 0.00 N ATOM 1000 CA ASN A 65 8.164 -15.934 0.372 1.00 0.00 C ATOM 1001 C ASN A 65 9.467 -16.523 0.927 1.00 0.00 C ATOM 1002 O ASN A 65 9.508 -17.699 1.311 1.00 0.00 O ATOM 1003 CB ASN A 65 8.235 -15.918 -1.187 1.00 0.00 C ATOM 1004 CG ASN A 65 6.937 -15.481 -1.859 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.850 -15.652 -1.312 1.00 0.00 O ATOM 1006 ND2 ASN A 65 7.041 -14.932 -3.061 1.00 0.00 N ATOM 0 H ASN A 65 7.798 -13.872 0.183 1.00 0.00 H new ATOM 0 HA ASN A 65 7.335 -16.565 0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.037 -15.249 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.498 -16.915 -1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.202 -14.637 -3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.960 -14.805 -3.486 1.00 0.00 H new ATOM 1013 N ASP A 66 10.527 -15.704 0.972 1.00 0.00 N ATOM 1014 CA ASP A 66 11.881 -16.130 1.363 1.00 0.00 C ATOM 1015 C ASP A 66 12.061 -16.119 2.895 1.00 0.00 C ATOM 1016 O ASP A 66 12.964 -16.776 3.421 1.00 0.00 O ATOM 1017 CB ASP A 66 12.917 -15.184 0.689 1.00 0.00 C ATOM 1018 CG ASP A 66 14.372 -15.676 0.801 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.704 -16.716 0.194 1.00 0.00 O ATOM 1020 OD2 ASP A 66 15.198 -15.021 1.470 1.00 0.00 O ATOM 0 H ASP A 66 10.469 -14.714 0.735 1.00 0.00 H new ATOM 0 HA ASP A 66 12.037 -17.156 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.661 -15.072 -0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.841 -14.196 1.142 1.00 0.00 H new ATOM 1025 N GLY A 67 11.176 -15.389 3.607 1.00 0.00 N ATOM 1026 CA GLY A 67 11.289 -15.202 5.061 1.00 0.00 C ATOM 1027 C GLY A 67 12.213 -14.049 5.444 1.00 0.00 C ATOM 1028 O GLY A 67 12.738 -14.009 6.559 1.00 0.00 O ATOM 0 H GLY A 67 10.372 -14.919 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.298 -15.019 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.659 -16.122 5.512 1.00 0.00 H new ATOM 1032 N LYS A 68 12.418 -13.113 4.505 1.00 0.00 N ATOM 1033 CA LYS A 68 13.128 -11.845 4.760 1.00 0.00 C ATOM 1034 C LYS A 68 12.201 -10.839 5.461 1.00 0.00 C ATOM 1035 O LYS A 68 12.673 -9.914 6.134 1.00 0.00 O ATOM 1036 CB LYS A 68 13.645 -11.237 3.433 1.00 0.00 C ATOM 1037 CG LYS A 68 14.831 -11.982 2.800 1.00 0.00 C ATOM 1038 CD LYS A 68 16.100 -11.943 3.692 1.00 0.00 C ATOM 1039 CE LYS A 68 17.324 -12.598 3.035 1.00 0.00 C ATOM 1040 NZ LYS A 68 18.510 -12.584 3.933 1.00 0.00 N ATOM 0 H LYS A 68 12.096 -13.212 3.542 1.00 0.00 H new ATOM 0 HA LYS A 68 13.977 -12.057 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.824 -11.215 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.939 -10.203 3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.550 -13.019 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.058 -11.539 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.336 -10.906 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.889 -12.447 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.085 -13.627 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.563 -12.074 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.315 -13.035 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.755 -11.601 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.291 -13.106 4.806 1.00 0.00 H new ATOM 1054 N ALA A 69 10.887 -11.028 5.275 1.00 0.00 N ATOM 1055 CA ALA A 69 9.851 -10.168 5.849 1.00 0.00 C ATOM 1056 C ALA A 69 8.550 -10.954 6.015 1.00 0.00 C ATOM 1057 O ALA A 69 8.420 -12.071 5.507 1.00 0.00 O ATOM 1058 CB ALA A 69 9.625 -8.946 4.952 1.00 0.00 C ATOM 0 H ALA A 69 10.513 -11.793 4.714 1.00 0.00 H new ATOM 0 HA ALA A 69 10.179 -9.824 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.852 -8.313 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.553 -8.380 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.309 -9.275 3.962 1.00 0.00 H new ATOM 1064 N THR A 70 7.623 -10.376 6.779 1.00 0.00 N ATOM 1065 CA THR A 70 6.261 -10.917 6.935 1.00 0.00 C ATOM 1066 C THR A 70 5.250 -10.033 6.187 1.00 0.00 C ATOM 1067 O THR A 70 5.564 -8.907 5.763 1.00 0.00 O ATOM 1068 CB THR A 70 5.876 -11.067 8.449 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.675 -11.847 8.582 1.00 0.00 O ATOM 1070 CG2 THR A 70 5.686 -9.709 9.146 1.00 0.00 C ATOM 0 H THR A 70 7.789 -9.520 7.309 1.00 0.00 H new ATOM 0 HA THR A 70 6.236 -11.915 6.496 1.00 0.00 H new ATOM 0 HB THR A 70 6.707 -11.575 8.938 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.446 -11.935 9.531 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.421 -9.870 10.191 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.613 -9.139 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.889 -9.154 8.651 1.00 0.00 H new ATOM 1078 N THR A 71 4.036 -10.569 6.028 1.00 0.00 N ATOM 1079 CA THR A 71 2.956 -9.912 5.289 1.00 0.00 C ATOM 1080 C THR A 71 2.470 -8.642 6.038 1.00 0.00 C ATOM 1081 O THR A 71 2.059 -7.657 5.410 1.00 0.00 O ATOM 1082 CB THR A 71 1.782 -10.924 5.069 1.00 0.00 C ATOM 1083 OG1 THR A 71 2.308 -12.201 4.655 1.00 0.00 O ATOM 1084 CG2 THR A 71 0.794 -10.438 4.008 1.00 0.00 C ATOM 0 H THR A 71 3.774 -11.477 6.411 1.00 0.00 H new ATOM 0 HA THR A 71 3.330 -9.594 4.316 1.00 0.00 H new ATOM 0 HB THR A 71 1.253 -11.013 6.018 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.569 -12.831 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.003 -11.172 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.366 -9.485 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.314 -10.310 3.058 1.00 0.00 H new ATOM 1092 N GLU A 72 2.561 -8.672 7.389 1.00 0.00 N ATOM 1093 CA GLU A 72 2.190 -7.537 8.264 1.00 0.00 C ATOM 1094 C GLU A 72 3.081 -6.300 7.993 1.00 0.00 C ATOM 1095 O GLU A 72 2.610 -5.160 8.044 1.00 0.00 O ATOM 1096 CB GLU A 72 2.293 -7.937 9.768 1.00 0.00 C ATOM 1097 CG GLU A 72 1.885 -6.814 10.747 1.00 0.00 C ATOM 1098 CD GLU A 72 2.138 -7.127 12.233 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.300 -7.029 12.684 1.00 0.00 O ATOM 1100 OE2 GLU A 72 1.177 -7.433 12.971 1.00 0.00 O ATOM 0 H GLU A 72 2.895 -9.487 7.903 1.00 0.00 H new ATOM 0 HA GLU A 72 1.157 -7.277 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.661 -8.807 9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.318 -8.238 9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.429 -5.907 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.825 -6.601 10.611 1.00 0.00 H new ATOM 1107 N GLN A 73 4.360 -6.555 7.675 1.00 0.00 N ATOM 1108 CA GLN A 73 5.387 -5.505 7.544 1.00 0.00 C ATOM 1109 C GLN A 73 5.060 -4.498 6.415 1.00 0.00 C ATOM 1110 O GLN A 73 5.414 -3.322 6.506 1.00 0.00 O ATOM 1111 CB GLN A 73 6.773 -6.158 7.308 1.00 0.00 C ATOM 1112 CG GLN A 73 7.947 -5.161 7.234 1.00 0.00 C ATOM 1113 CD GLN A 73 9.312 -5.822 7.049 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.556 -6.937 7.515 1.00 0.00 O ATOM 1115 NE2 GLN A 73 10.209 -5.133 6.367 1.00 0.00 N ATOM 0 H GLN A 73 4.713 -7.496 7.501 1.00 0.00 H new ATOM 0 HA GLN A 73 5.403 -4.938 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.967 -6.869 8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.738 -6.728 6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.773 -4.472 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.963 -4.566 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.971 -4.213 5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.139 -5.521 6.211 1.00 0.00 H new ATOM 1124 N TYR A 74 4.396 -4.970 5.350 1.00 0.00 N ATOM 1125 CA TYR A 74 4.077 -4.126 4.179 1.00 0.00 C ATOM 1126 C TYR A 74 2.570 -3.815 4.094 1.00 0.00 C ATOM 1127 O TYR A 74 2.171 -2.650 4.112 1.00 0.00 O ATOM 1128 CB TYR A 74 4.565 -4.819 2.881 1.00 0.00 C ATOM 1129 CG TYR A 74 6.058 -5.166 2.897 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.028 -4.160 2.950 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.497 -6.493 2.876 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.374 -4.468 2.977 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.838 -6.799 2.898 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.776 -5.787 2.953 1.00 0.00 C ATOM 1135 OH TYR A 74 10.118 -6.098 2.988 1.00 0.00 O ATOM 0 H TYR A 74 4.067 -5.932 5.271 1.00 0.00 H new ATOM 0 HA TYR A 74 4.598 -3.176 4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.990 -5.732 2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.361 -4.167 2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.719 -3.125 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.771 -7.292 2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.110 -3.678 3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.157 -7.830 2.872 1.00 0.00 H new ATOM 0 HH TYR A 74 10.229 -7.071 2.965 1.00 0.00 H new ATOM 1145 N PHE A 75 1.749 -4.870 4.014 1.00 0.00 N ATOM 1146 CA PHE A 75 0.322 -4.781 3.630 1.00 0.00 C ATOM 1147 C PHE A 75 -0.595 -4.120 4.699 1.00 0.00 C ATOM 1148 O PHE A 75 -1.759 -3.838 4.392 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.203 -6.186 3.250 1.00 0.00 C ATOM 1150 CG PHE A 75 0.475 -6.820 2.027 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.709 -7.472 2.141 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.130 -6.778 0.772 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.305 -8.067 1.044 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.469 -7.371 -0.325 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.687 -8.015 -0.190 1.00 0.00 C ATOM 0 H PHE A 75 2.054 -5.822 4.215 1.00 0.00 H new ATOM 0 HA PHE A 75 0.279 -4.114 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.073 -6.850 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.274 -6.118 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.203 -7.511 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.079 -6.276 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.253 -8.572 1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.015 -7.331 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.153 -8.476 -1.048 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.104 -3.890 5.944 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.826 -3.014 6.911 1.00 0.00 C ATOM 1167 C VAL A 76 -0.859 -1.591 6.336 1.00 0.00 C ATOM 1168 O VAL A 76 0.163 -1.115 5.891 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.170 -3.018 8.343 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.810 -1.967 9.290 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.247 -4.421 8.982 1.00 0.00 C ATOM 0 H VAL A 76 0.766 -4.286 6.298 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.836 -3.401 7.042 1.00 0.00 H new ATOM 0 HB VAL A 76 0.876 -2.745 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.323 -2.010 10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.685 -0.971 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.872 -2.181 9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.213 -4.397 9.970 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.291 -4.722 9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.282 -5.137 8.353 1.00 0.00 H new ATOM 1181 N LEU A 77 -2.025 -0.933 6.362 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.282 0.300 5.595 1.00 0.00 C ATOM 1183 C LEU A 77 -1.317 1.453 5.977 1.00 0.00 C ATOM 1184 O LEU A 77 -0.861 2.183 5.096 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.759 0.730 5.778 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.839 -0.383 5.512 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.270 0.178 5.608 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.605 -1.099 4.160 1.00 0.00 C ATOM 0 H LEU A 77 -2.823 -1.240 6.918 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.095 0.080 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.887 1.096 6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.958 1.568 5.111 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.727 -1.129 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.987 -0.620 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.435 0.585 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.402 0.967 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.372 -1.860 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.656 -0.372 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.622 -1.570 4.163 1.00 0.00 H new ATOM 1200 N LYS A 78 -1.032 1.614 7.299 1.00 0.00 N ATOM 1201 CA LYS A 78 -0.039 2.621 7.774 1.00 0.00 C ATOM 1202 C LYS A 78 1.404 2.251 7.344 1.00 0.00 C ATOM 1203 O LYS A 78 2.217 3.140 7.053 1.00 0.00 O ATOM 1204 CB LYS A 78 -0.092 2.806 9.318 1.00 0.00 C ATOM 1205 CG LYS A 78 0.420 1.603 10.150 1.00 0.00 C ATOM 1206 CD LYS A 78 0.368 1.853 11.671 1.00 0.00 C ATOM 1207 CE LYS A 78 1.000 0.713 12.489 1.00 0.00 C ATOM 1208 NZ LYS A 78 0.939 0.990 13.944 1.00 0.00 N ATOM 0 H LYS A 78 -1.467 1.070 8.044 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.313 3.565 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.496 3.685 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.122 3.013 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.178 0.723 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.446 1.379 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.884 2.786 11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.670 1.981 11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.482 -0.221 12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.038 0.579 12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.373 0.202 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.454 1.869 14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.054 1.093 14.236 1.00 0.00 H new ATOM 1222 N ASN A 79 1.709 0.936 7.319 1.00 0.00 N ATOM 1223 CA ASN A 79 3.043 0.419 6.925 1.00 0.00 C ATOM 1224 C ASN A 79 3.272 0.670 5.438 1.00 0.00 C ATOM 1225 O ASN A 79 4.310 1.170 5.050 1.00 0.00 O ATOM 1226 CB ASN A 79 3.179 -1.099 7.227 1.00 0.00 C ATOM 1227 CG ASN A 79 3.219 -1.435 8.714 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.627 -0.745 9.544 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.921 -2.495 9.061 1.00 0.00 N ATOM 0 H ASN A 79 1.044 0.204 7.569 1.00 0.00 H new ATOM 0 HA ASN A 79 3.795 0.947 7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.343 -1.626 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.088 -1.473 6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.986 -2.765 10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.400 -3.045 8.348 1.00 0.00 H new ATOM 1236 N LEU A 80 2.260 0.311 4.642 1.00 0.00 N ATOM 1237 CA LEU A 80 2.166 0.584 3.204 1.00 0.00 C ATOM 1238 C LEU A 80 2.390 2.080 2.927 1.00 0.00 C ATOM 1239 O LEU A 80 3.194 2.441 2.083 1.00 0.00 O ATOM 1240 CB LEU A 80 0.762 0.145 2.693 1.00 0.00 C ATOM 1241 CG LEU A 80 0.492 0.299 1.160 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.421 -0.608 0.323 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.000 0.056 0.826 1.00 0.00 C ATOM 0 H LEU A 80 1.451 -0.199 4.996 1.00 0.00 H new ATOM 0 HA LEU A 80 2.937 0.021 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.614 -0.901 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.009 0.721 3.231 1.00 0.00 H new ATOM 0 HG LEU A 80 0.724 1.329 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.203 -0.473 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.460 -0.342 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.256 -1.650 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.156 0.170 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.281 -0.953 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.615 0.779 1.361 1.00 0.00 H new ATOM 1255 N ALA A 81 1.710 2.927 3.718 1.00 0.00 N ATOM 1256 CA ALA A 81 1.800 4.401 3.619 1.00 0.00 C ATOM 1257 C ALA A 81 3.217 4.916 3.942 1.00 0.00 C ATOM 1258 O ALA A 81 3.670 5.893 3.355 1.00 0.00 O ATOM 1259 CB ALA A 81 0.766 5.057 4.549 1.00 0.00 C ATOM 0 H ALA A 81 1.076 2.609 4.451 1.00 0.00 H new ATOM 0 HA ALA A 81 1.582 4.677 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.841 6.141 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.236 4.740 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.959 4.755 5.578 1.00 0.00 H new ATOM 1265 N ALA A 82 3.893 4.238 4.879 1.00 0.00 N ATOM 1266 CA ALA A 82 5.273 4.584 5.290 1.00 0.00 C ATOM 1267 C ALA A 82 6.296 4.138 4.217 1.00 0.00 C ATOM 1268 O ALA A 82 7.310 4.808 3.989 1.00 0.00 O ATOM 1269 CB ALA A 82 5.599 3.952 6.654 1.00 0.00 C ATOM 0 H ALA A 82 3.506 3.436 5.376 1.00 0.00 H new ATOM 0 HA ALA A 82 5.342 5.667 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.617 4.215 6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.901 4.325 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.511 2.868 6.583 1.00 0.00 H new ATOM 1275 N ARG A 83 6.038 2.971 3.603 1.00 0.00 N ATOM 1276 CA ARG A 83 6.812 2.449 2.457 1.00 0.00 C ATOM 1277 C ARG A 83 6.677 3.366 1.221 1.00 0.00 C ATOM 1278 O ARG A 83 7.637 3.583 0.485 1.00 0.00 O ATOM 1279 CB ARG A 83 6.313 1.023 2.096 1.00 0.00 C ATOM 1280 CG ARG A 83 6.526 -0.066 3.172 1.00 0.00 C ATOM 1281 CD ARG A 83 8.008 -0.283 3.506 1.00 0.00 C ATOM 1282 NE ARG A 83 8.805 -0.627 2.312 1.00 0.00 N ATOM 1283 CZ ARG A 83 9.986 -1.251 2.322 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.550 -1.642 3.454 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.616 -1.449 1.181 1.00 0.00 N ATOM 0 H ARG A 83 5.278 2.354 3.890 1.00 0.00 H new ATOM 0 HA ARG A 83 7.862 2.417 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.248 1.079 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.815 0.705 1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.990 0.215 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.094 -1.005 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.412 0.621 3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.099 -1.080 4.244 1.00 0.00 H new ATOM 0 HE ARG A 83 8.422 -0.366 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.082 -1.468 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.453 -2.117 3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.201 -1.127 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.519 -1.924 1.173 1.00 0.00 H new ATOM 1299 N ILE A 84 5.468 3.885 1.014 1.00 0.00 N ATOM 1300 CA ILE A 84 5.155 4.808 -0.096 1.00 0.00 C ATOM 1301 C ILE A 84 5.772 6.184 0.181 1.00 0.00 C ATOM 1302 O ILE A 84 6.232 6.853 -0.737 1.00 0.00 O ATOM 1303 CB ILE A 84 3.604 4.890 -0.317 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.084 3.511 -0.821 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.196 6.033 -1.283 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.577 3.365 -0.840 1.00 0.00 C ATOM 0 H ILE A 84 4.667 3.681 1.611 1.00 0.00 H new ATOM 0 HA ILE A 84 5.592 4.429 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 84 3.139 5.128 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.463 3.343 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.502 2.728 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.112 6.042 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.526 6.989 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.663 5.872 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.312 2.373 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.186 3.497 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.147 4.120 -1.497 1.00 0.00 H new ATOM 1318 N ASP A 85 5.759 6.591 1.460 1.00 0.00 N ATOM 1319 CA ASP A 85 6.531 7.749 1.963 1.00 0.00 C ATOM 1320 C ASP A 85 8.031 7.637 1.585 1.00 0.00 C ATOM 1321 O ASP A 85 8.636 8.617 1.155 1.00 0.00 O ATOM 1322 CB ASP A 85 6.346 7.870 3.501 1.00 0.00 C ATOM 1323 CG ASP A 85 7.258 8.918 4.164 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.922 10.124 4.141 1.00 0.00 O ATOM 1325 OD2 ASP A 85 8.317 8.545 4.707 1.00 0.00 O ATOM 0 H ASP A 85 5.210 6.126 2.183 1.00 0.00 H new ATOM 0 HA ASP A 85 6.151 8.654 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.307 8.123 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.537 6.898 3.956 1.00 0.00 H new ATOM 1330 N GLU A 86 8.600 6.428 1.731 1.00 0.00 N ATOM 1331 CA GLU A 86 9.997 6.127 1.327 1.00 0.00 C ATOM 1332 C GLU A 86 10.187 6.305 -0.209 1.00 0.00 C ATOM 1333 O GLU A 86 11.161 6.915 -0.651 1.00 0.00 O ATOM 1334 CB GLU A 86 10.344 4.675 1.755 1.00 0.00 C ATOM 1335 CG GLU A 86 11.762 4.180 1.390 1.00 0.00 C ATOM 1336 CD GLU A 86 12.908 4.886 2.135 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.871 4.951 3.387 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.870 5.355 1.485 1.00 0.00 O ATOM 0 H GLU A 86 8.110 5.628 2.132 1.00 0.00 H new ATOM 0 HA GLU A 86 10.670 6.826 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.221 4.597 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.618 4.001 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.821 3.111 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.911 4.310 0.318 1.00 0.00 H new ATOM 1345 N LEU A 87 9.245 5.743 -0.992 1.00 0.00 N ATOM 1346 CA LEU A 87 9.252 5.791 -2.476 1.00 0.00 C ATOM 1347 C LEU A 87 9.145 7.244 -3.028 1.00 0.00 C ATOM 1348 O LEU A 87 9.877 7.618 -3.955 1.00 0.00 O ATOM 1349 CB LEU A 87 8.097 4.909 -3.020 1.00 0.00 C ATOM 1350 CG LEU A 87 8.226 3.375 -2.724 1.00 0.00 C ATOM 1351 CD1 LEU A 87 6.897 2.635 -2.977 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.390 2.745 -3.530 1.00 0.00 C ATOM 0 H LEU A 87 8.446 5.236 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 87 10.210 5.402 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.159 5.266 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.032 5.049 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 87 8.460 3.263 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.024 1.574 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.123 3.046 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.603 2.761 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.455 1.681 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.209 2.879 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.327 3.231 -3.257 1.00 0.00 H new ATOM 1364 N VAL A 88 8.221 8.052 -2.466 1.00 0.00 N ATOM 1365 CA VAL A 88 8.045 9.473 -2.860 1.00 0.00 C ATOM 1366 C VAL A 88 9.225 10.315 -2.336 1.00 0.00 C ATOM 1367 O VAL A 88 9.576 11.339 -2.931 1.00 0.00 O ATOM 1368 CB VAL A 88 6.660 10.095 -2.385 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.469 9.256 -2.919 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.576 10.257 -0.848 1.00 0.00 C ATOM 0 H VAL A 88 7.580 7.746 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 88 8.029 9.497 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 88 6.601 11.097 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.532 9.699 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.493 9.242 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.544 8.236 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.610 10.686 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.685 9.282 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.373 10.918 -0.508 1.00 0.00 H new ATOM 1380 N ALA A 89 9.840 9.859 -1.225 1.00 0.00 N ATOM 1381 CA ALA A 89 11.061 10.487 -0.693 1.00 0.00 C ATOM 1382 C ALA A 89 12.244 10.244 -1.643 1.00 0.00 C ATOM 1383 O ALA A 89 13.113 11.087 -1.753 1.00 0.00 O ATOM 1384 CB ALA A 89 11.388 9.959 0.712 1.00 0.00 C ATOM 0 H ALA A 89 9.510 9.061 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 89 10.884 11.560 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.294 10.440 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.560 10.181 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.542 8.881 0.669 1.00 0.00 H new ATOM 1390 N ALA A 90 12.269 9.060 -2.293 1.00 0.00 N ATOM 1391 CA ALA A 90 13.301 8.704 -3.294 1.00 0.00 C ATOM 1392 C ALA A 90 13.342 9.674 -4.499 1.00 0.00 C ATOM 1393 O ALA A 90 14.429 10.068 -4.939 1.00 0.00 O ATOM 1394 CB ALA A 90 13.098 7.259 -3.768 1.00 0.00 C ATOM 0 H ALA A 90 11.577 8.326 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 90 14.267 8.794 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.862 7.007 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.177 6.582 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.111 7.160 -4.221 1.00 0.00 H new