USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 688 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+ 170:sc= 0.451 (180deg=-0.00444) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.292 K(o=0.16,f=-4.8) USER MOD Set 2.1: A 62 GLN : amide:sc= -0.638 K(o=-1.6,f=-0.49) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.92 K(o=-1.6,f=-0.49) USER MOD Set 3.1: A 24 THR OG1 : rot -18:sc= 0.704 USER MOD Set 3.2: A 27 SER OG : rot -157:sc= 1.07 USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.209 USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.959 USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 16 CYS SG : rot -37:sc= -2.26! USER MOD Single : A 22 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 28 HIS : no HD1:sc= -2.96! C(o=-3!,f=-12!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 0.626 (180deg=0.419) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.584 (180deg=-1.07) USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= 0.768 (180deg=-0.00277) USER MOD Single : A 61 THR OG1 : rot 67:sc= 0.888 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 51:sc= 0.0144 USER MOD Single : A 73 GLN : amide:sc= -0.0775 K(o=-0.078,f=-4.2!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -7.199 -2.082 3.190 1.00 0.00 N ATOM 46 CA THR A 4 -5.732 -2.068 3.103 1.00 0.00 C ATOM 47 C THR A 4 -5.273 -0.819 2.335 1.00 0.00 C ATOM 48 O THR A 4 -4.465 -0.047 2.846 1.00 0.00 O ATOM 49 CB THR A 4 -5.189 -3.355 2.414 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.786 -4.503 3.025 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.660 -3.467 2.517 1.00 0.00 C ATOM 0 HA THR A 4 -5.330 -2.042 4.116 1.00 0.00 H new ATOM 0 HB THR A 4 -5.448 -3.300 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.683 -4.274 3.345 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.328 -4.380 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.199 -2.605 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.367 -3.496 3.567 1.00 0.00 H new ATOM 59 N PHE A 5 -5.873 -0.603 1.139 1.00 0.00 N ATOM 60 CA PHE A 5 -5.627 0.599 0.308 1.00 0.00 C ATOM 61 C PHE A 5 -5.910 1.892 1.099 1.00 0.00 C ATOM 62 O PHE A 5 -5.133 2.840 1.007 1.00 0.00 O ATOM 63 CB PHE A 5 -6.480 0.574 -1.002 1.00 0.00 C ATOM 64 CG PHE A 5 -6.546 1.944 -1.708 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.428 2.478 -2.340 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.710 2.725 -1.664 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.468 3.742 -2.891 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.747 3.980 -2.229 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.625 4.487 -2.841 1.00 0.00 C ATOM 0 H PHE A 5 -6.539 -1.255 0.725 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.573 0.586 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.060 -0.162 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.492 0.246 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.519 1.897 -2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.593 2.335 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.587 4.150 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.654 4.564 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.651 5.472 -3.284 1.00 0.00 H new ATOM 79 N ASP A 6 -7.031 1.913 1.847 1.00 0.00 N ATOM 80 CA ASP A 6 -7.439 3.082 2.667 1.00 0.00 C ATOM 81 C ASP A 6 -6.296 3.521 3.595 1.00 0.00 C ATOM 82 O ASP A 6 -5.894 4.688 3.590 1.00 0.00 O ATOM 83 CB ASP A 6 -8.706 2.749 3.497 1.00 0.00 C ATOM 84 CG ASP A 6 -9.100 3.846 4.507 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.727 4.850 4.108 1.00 0.00 O ATOM 86 OD2 ASP A 6 -8.775 3.709 5.709 1.00 0.00 O ATOM 0 H ASP A 6 -7.679 1.127 1.903 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.671 3.906 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.540 2.580 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.540 1.816 4.036 1.00 0.00 H new ATOM 91 N ARG A 7 -5.738 2.536 4.311 1.00 0.00 N ATOM 92 CA ARG A 7 -4.640 2.747 5.260 1.00 0.00 C ATOM 93 C ARG A 7 -3.346 3.196 4.557 1.00 0.00 C ATOM 94 O ARG A 7 -2.660 4.085 5.059 1.00 0.00 O ATOM 95 CB ARG A 7 -4.386 1.462 6.083 1.00 0.00 C ATOM 96 CG ARG A 7 -5.480 1.121 7.117 1.00 0.00 C ATOM 97 CD ARG A 7 -5.661 2.234 8.172 1.00 0.00 C ATOM 98 NE ARG A 7 -6.429 1.782 9.344 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.999 2.585 10.255 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.004 3.904 10.095 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.585 2.048 11.308 1.00 0.00 N ATOM 0 H ARG A 7 -6.039 1.564 4.247 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.941 3.550 5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.283 0.623 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.434 1.565 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.426 0.957 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.224 0.187 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.681 2.585 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.168 3.084 7.715 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.536 0.776 9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.570 4.319 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.442 4.501 10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.601 1.034 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.022 2.646 12.009 1.00 0.00 H new ATOM 115 N VAL A 8 -3.036 2.605 3.382 1.00 0.00 N ATOM 116 CA VAL A 8 -1.806 2.927 2.619 1.00 0.00 C ATOM 117 C VAL A 8 -1.866 4.372 2.094 1.00 0.00 C ATOM 118 O VAL A 8 -0.895 5.119 2.207 1.00 0.00 O ATOM 119 CB VAL A 8 -1.595 1.938 1.408 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.316 2.279 0.603 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.556 0.476 1.895 1.00 0.00 C ATOM 0 H VAL A 8 -3.623 1.899 2.938 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.963 2.818 3.301 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.447 2.059 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.207 1.575 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.394 3.292 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.554 2.210 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.410 -0.188 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.734 0.349 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.497 0.231 2.388 1.00 0.00 H new ATOM 131 N ALA A 9 -3.039 4.741 1.553 1.00 0.00 N ATOM 132 CA ALA A 9 -3.312 6.083 1.003 1.00 0.00 C ATOM 133 C ALA A 9 -3.180 7.160 2.094 1.00 0.00 C ATOM 134 O ALA A 9 -2.632 8.236 1.841 1.00 0.00 O ATOM 135 CB ALA A 9 -4.721 6.130 0.363 1.00 0.00 C ATOM 0 H ALA A 9 -3.836 4.108 1.484 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.572 6.290 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.906 7.127 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.779 5.399 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.472 5.898 1.118 1.00 0.00 H new ATOM 141 N THR A 10 -3.691 6.840 3.303 1.00 0.00 N ATOM 142 CA THR A 10 -3.583 7.710 4.495 1.00 0.00 C ATOM 143 C THR A 10 -2.109 7.947 4.871 1.00 0.00 C ATOM 144 O THR A 10 -1.695 9.086 5.077 1.00 0.00 O ATOM 145 CB THR A 10 -4.346 7.101 5.727 1.00 0.00 C ATOM 146 OG1 THR A 10 -5.691 6.777 5.356 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.386 8.062 6.938 1.00 0.00 C ATOM 0 H THR A 10 -4.191 5.969 3.480 1.00 0.00 H new ATOM 0 HA THR A 10 -4.046 8.663 4.237 1.00 0.00 H new ATOM 0 HB THR A 10 -3.798 6.207 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.688 5.997 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.925 7.590 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.368 8.290 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.893 8.984 6.654 1.00 0.00 H new ATOM 155 N ILE A 11 -1.326 6.854 4.918 1.00 0.00 N ATOM 156 CA ILE A 11 0.116 6.899 5.231 1.00 0.00 C ATOM 157 C ILE A 11 0.887 7.774 4.216 1.00 0.00 C ATOM 158 O ILE A 11 1.612 8.684 4.623 1.00 0.00 O ATOM 159 CB ILE A 11 0.716 5.443 5.288 1.00 0.00 C ATOM 160 CG1 ILE A 11 0.096 4.664 6.497 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.265 5.456 5.358 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.446 3.192 6.573 1.00 0.00 C ATOM 0 H ILE A 11 -1.675 5.912 4.740 1.00 0.00 H new ATOM 0 HA ILE A 11 0.231 7.357 6.213 1.00 0.00 H new ATOM 0 HB ILE A 11 0.453 4.928 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.419 5.145 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.989 4.760 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.636 4.432 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.665 5.955 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.584 5.991 6.252 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.034 2.749 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.097 2.688 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.527 3.079 6.657 1.00 0.00 H new ATOM 174 N ILE A 12 0.678 7.511 2.906 1.00 0.00 N ATOM 175 CA ILE A 12 1.331 8.255 1.805 1.00 0.00 C ATOM 176 C ILE A 12 1.018 9.765 1.910 1.00 0.00 C ATOM 177 O ILE A 12 1.919 10.609 1.776 1.00 0.00 O ATOM 178 CB ILE A 12 0.864 7.705 0.393 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.341 6.231 0.190 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.333 8.607 -0.778 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.007 5.613 -1.160 1.00 0.00 C ATOM 0 H ILE A 12 0.050 6.775 2.582 1.00 0.00 H new ATOM 0 HA ILE A 12 2.407 8.109 1.896 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.226 7.723 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.422 6.195 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.899 5.614 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.987 8.186 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.920 9.608 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.422 8.661 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.383 4.590 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.074 5.608 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.473 6.198 -1.953 1.00 0.00 H new ATOM 193 N ALA A 13 -0.267 10.063 2.151 1.00 0.00 N ATOM 194 CA ALA A 13 -0.771 11.421 2.398 1.00 0.00 C ATOM 195 C ALA A 13 0.009 12.151 3.509 1.00 0.00 C ATOM 196 O ALA A 13 0.599 13.215 3.271 1.00 0.00 O ATOM 197 CB ALA A 13 -2.262 11.360 2.762 1.00 0.00 C ATOM 0 H ALA A 13 -0.999 9.353 2.180 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.630 11.991 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.633 12.368 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.819 10.911 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.393 10.757 3.660 1.00 0.00 H new ATOM 203 N GLU A 14 0.018 11.535 4.709 1.00 0.00 N ATOM 204 CA GLU A 14 0.639 12.097 5.928 1.00 0.00 C ATOM 205 C GLU A 14 2.170 12.234 5.788 1.00 0.00 C ATOM 206 O GLU A 14 2.776 13.098 6.437 1.00 0.00 O ATOM 207 CB GLU A 14 0.293 11.213 7.161 1.00 0.00 C ATOM 208 CG GLU A 14 -1.210 11.117 7.464 1.00 0.00 C ATOM 209 CD GLU A 14 -1.521 10.140 8.613 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.449 8.914 8.390 1.00 0.00 O ATOM 211 OE2 GLU A 14 -1.797 10.591 9.747 1.00 0.00 O ATOM 0 H GLU A 14 -0.411 10.622 4.861 1.00 0.00 H new ATOM 0 HA GLU A 14 0.232 13.098 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.684 10.209 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.804 11.614 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.589 12.106 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.738 10.796 6.566 1.00 0.00 H new ATOM 218 N THR A 15 2.777 11.382 4.938 1.00 0.00 N ATOM 219 CA THR A 15 4.223 11.391 4.685 1.00 0.00 C ATOM 220 C THR A 15 4.606 12.558 3.749 1.00 0.00 C ATOM 221 O THR A 15 5.452 13.387 4.102 1.00 0.00 O ATOM 222 CB THR A 15 4.693 10.025 4.059 1.00 0.00 C ATOM 223 OG1 THR A 15 4.350 8.939 4.932 1.00 0.00 O ATOM 224 CG2 THR A 15 6.209 9.983 3.800 1.00 0.00 C ATOM 0 H THR A 15 2.274 10.669 4.409 1.00 0.00 H new ATOM 0 HA THR A 15 4.728 11.527 5.642 1.00 0.00 H new ATOM 0 HB THR A 15 4.181 9.930 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.385 8.776 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.478 9.019 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.482 10.779 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.743 10.121 4.740 1.00 0.00 H new ATOM 232 N CYS A 16 3.940 12.646 2.580 1.00 0.00 N ATOM 233 CA CYS A 16 4.368 13.516 1.460 1.00 0.00 C ATOM 234 C CYS A 16 3.575 14.845 1.387 1.00 0.00 C ATOM 235 O CYS A 16 3.735 15.597 0.412 1.00 0.00 O ATOM 236 CB CYS A 16 4.207 12.732 0.137 1.00 0.00 C ATOM 237 SG CYS A 16 4.894 13.560 -1.312 1.00 0.00 S ATOM 0 H CYS A 16 3.090 12.117 2.383 1.00 0.00 H new ATOM 0 HA CYS A 16 5.410 13.788 1.629 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.687 11.759 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.147 12.547 -0.034 1.00 0.00 H new ATOM 0 HG CYS A 16 4.695 14.841 -1.215 1.00 0.00 H new ATOM 243 N ASP A 17 2.753 15.140 2.425 1.00 0.00 N ATOM 244 CA ASP A 17 1.924 16.373 2.492 1.00 0.00 C ATOM 245 C ASP A 17 1.006 16.501 1.242 1.00 0.00 C ATOM 246 O ASP A 17 1.113 17.441 0.452 1.00 0.00 O ATOM 247 CB ASP A 17 2.847 17.622 2.720 1.00 0.00 C ATOM 248 CG ASP A 17 2.096 18.964 2.845 1.00 0.00 C ATOM 249 OD1 ASP A 17 1.405 19.179 3.863 1.00 0.00 O ATOM 250 OD2 ASP A 17 2.198 19.811 1.931 1.00 0.00 O ATOM 0 H ASP A 17 2.645 14.533 3.237 1.00 0.00 H new ATOM 0 HA ASP A 17 1.249 16.314 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.433 17.463 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.552 17.692 1.892 1.00 0.00 H new ATOM 255 N ILE A 18 0.133 15.497 1.048 1.00 0.00 N ATOM 256 CA ILE A 18 -0.781 15.412 -0.122 1.00 0.00 C ATOM 257 C ILE A 18 -2.153 14.856 0.327 1.00 0.00 C ATOM 258 O ILE A 18 -2.198 14.069 1.266 1.00 0.00 O ATOM 259 CB ILE A 18 -0.179 14.520 -1.293 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.410 13.174 -0.750 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.887 15.299 -2.107 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.913 12.213 -1.820 1.00 0.00 C ATOM 0 H ILE A 18 0.035 14.715 1.696 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.905 16.419 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.002 14.275 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.233 13.402 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.357 12.670 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.278 14.661 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.432 16.186 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.701 15.599 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.301 11.312 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.092 11.948 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.706 12.691 -2.395 1.00 0.00 H new ATOM 274 N PRO A 19 -3.300 15.270 -0.320 1.00 0.00 N ATOM 275 CA PRO A 19 -4.648 14.740 0.018 1.00 0.00 C ATOM 276 C PRO A 19 -4.790 13.279 -0.455 1.00 0.00 C ATOM 277 O PRO A 19 -4.605 13.009 -1.638 1.00 0.00 O ATOM 278 CB PRO A 19 -5.631 15.681 -0.755 1.00 0.00 C ATOM 279 CG PRO A 19 -4.783 16.804 -1.293 1.00 0.00 C ATOM 280 CD PRO A 19 -3.381 16.257 -1.426 1.00 0.00 C ATOM 0 HA PRO A 19 -4.842 14.729 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.131 15.146 -1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.410 16.061 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.159 17.146 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.803 17.662 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.221 15.789 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.631 17.041 -1.323 1.00 0.00 H new ATOM 288 N ARG A 20 -5.157 12.351 0.458 1.00 0.00 N ATOM 289 CA ARG A 20 -5.228 10.902 0.140 1.00 0.00 C ATOM 290 C ARG A 20 -6.369 10.567 -0.836 1.00 0.00 C ATOM 291 O ARG A 20 -6.367 9.498 -1.453 1.00 0.00 O ATOM 292 CB ARG A 20 -5.368 10.029 1.413 1.00 0.00 C ATOM 293 CG ARG A 20 -6.798 9.880 1.994 1.00 0.00 C ATOM 294 CD ARG A 20 -6.851 8.770 3.046 1.00 0.00 C ATOM 295 NE ARG A 20 -8.224 8.442 3.474 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.636 8.284 4.738 1.00 0.00 C ATOM 297 NH1 ARG A 20 -7.835 8.539 5.764 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.868 7.871 4.971 1.00 0.00 N ATOM 0 H ARG A 20 -5.409 12.577 1.420 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.280 10.667 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.985 9.033 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.727 10.449 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.113 10.823 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.499 9.657 1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.379 7.874 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.269 9.074 3.916 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.923 8.325 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.882 8.863 5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.172 8.411 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.496 7.675 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.192 7.747 5.930 1.00 0.00 H new ATOM 312 N GLU A 21 -7.325 11.499 -0.978 1.00 0.00 N ATOM 313 CA GLU A 21 -8.526 11.306 -1.801 1.00 0.00 C ATOM 314 C GLU A 21 -8.169 11.366 -3.297 1.00 0.00 C ATOM 315 O GLU A 21 -8.865 10.793 -4.139 1.00 0.00 O ATOM 316 CB GLU A 21 -9.576 12.387 -1.448 1.00 0.00 C ATOM 317 CG GLU A 21 -9.112 13.840 -1.699 1.00 0.00 C ATOM 318 CD GLU A 21 -10.148 14.885 -1.265 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.104 15.136 -2.027 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.025 15.444 -0.153 1.00 0.00 O ATOM 0 H GLU A 21 -7.285 12.411 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.947 10.322 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.479 12.202 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.847 12.282 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.180 14.016 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.897 13.969 -2.760 1.00 0.00 H new ATOM 327 N THR A 22 -7.060 12.062 -3.602 1.00 0.00 N ATOM 328 CA THR A 22 -6.546 12.202 -4.969 1.00 0.00 C ATOM 329 C THR A 22 -5.738 10.946 -5.379 1.00 0.00 C ATOM 330 O THR A 22 -5.437 10.749 -6.562 1.00 0.00 O ATOM 331 CB THR A 22 -5.670 13.492 -5.098 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.497 13.370 -4.291 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.452 14.757 -4.677 1.00 0.00 C ATOM 0 H THR A 22 -6.495 12.544 -2.902 1.00 0.00 H new ATOM 0 HA THR A 22 -7.394 12.297 -5.647 1.00 0.00 H new ATOM 0 HB THR A 22 -5.391 13.596 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.746 13.406 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.811 15.632 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.328 14.872 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.769 14.660 -3.639 1.00 0.00 H new ATOM 341 N ILE A 23 -5.402 10.093 -4.381 1.00 0.00 N ATOM 342 CA ILE A 23 -4.736 8.807 -4.599 1.00 0.00 C ATOM 343 C ILE A 23 -5.828 7.756 -4.874 1.00 0.00 C ATOM 344 O ILE A 23 -6.702 7.529 -4.027 1.00 0.00 O ATOM 345 CB ILE A 23 -3.860 8.369 -3.341 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.567 9.244 -3.164 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.477 6.875 -3.408 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.773 10.653 -2.657 1.00 0.00 C ATOM 0 H ILE A 23 -5.592 10.289 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.053 8.895 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.492 8.534 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.897 8.728 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.057 9.298 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.880 6.613 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.382 6.268 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.898 6.688 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.809 11.155 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.411 11.200 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.248 10.621 -1.677 1.00 0.00 H new ATOM 360 N THR A 24 -5.794 7.168 -6.074 1.00 0.00 N ATOM 361 CA THR A 24 -6.650 6.029 -6.454 1.00 0.00 C ATOM 362 C THR A 24 -5.830 4.724 -6.346 1.00 0.00 C ATOM 363 O THR A 24 -4.592 4.790 -6.298 1.00 0.00 O ATOM 364 CB THR A 24 -7.213 6.210 -7.909 1.00 0.00 C ATOM 365 OG1 THR A 24 -6.136 6.329 -8.857 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.132 7.436 -8.004 1.00 0.00 C ATOM 0 H THR A 24 -5.167 7.469 -6.820 1.00 0.00 H new ATOM 0 HA THR A 24 -7.502 5.980 -5.776 1.00 0.00 H new ATOM 0 HB THR A 24 -7.801 5.324 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.308 6.557 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.505 7.533 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.972 7.315 -7.320 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.572 8.332 -7.736 1.00 0.00 H new ATOM 374 N PRO A 25 -6.484 3.506 -6.277 1.00 0.00 N ATOM 375 CA PRO A 25 -5.744 2.227 -6.246 1.00 0.00 C ATOM 376 C PRO A 25 -4.913 1.982 -7.531 1.00 0.00 C ATOM 377 O PRO A 25 -3.986 1.187 -7.514 1.00 0.00 O ATOM 378 CB PRO A 25 -6.846 1.148 -6.027 1.00 0.00 C ATOM 379 CG PRO A 25 -8.126 1.807 -6.442 1.00 0.00 C ATOM 380 CD PRO A 25 -7.956 3.283 -6.161 1.00 0.00 C ATOM 0 HA PRO A 25 -4.995 2.211 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.650 0.257 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.886 0.831 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.327 1.633 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.971 1.400 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.509 3.892 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.322 3.545 -5.168 1.00 0.00 H new ATOM 388 N GLU A 26 -5.191 2.725 -8.620 1.00 0.00 N ATOM 389 CA GLU A 26 -4.467 2.560 -9.899 1.00 0.00 C ATOM 390 C GLU A 26 -3.341 3.611 -10.040 1.00 0.00 C ATOM 391 O GLU A 26 -2.655 3.646 -11.064 1.00 0.00 O ATOM 392 CB GLU A 26 -5.455 2.647 -11.089 1.00 0.00 C ATOM 393 CG GLU A 26 -6.228 3.976 -11.199 1.00 0.00 C ATOM 394 CD GLU A 26 -7.095 4.064 -12.465 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.579 4.509 -13.514 1.00 0.00 O ATOM 396 OE2 GLU A 26 -8.284 3.673 -12.425 1.00 0.00 O ATOM 0 H GLU A 26 -5.912 3.446 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.002 1.574 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.901 2.489 -12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.174 1.832 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.863 4.094 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.519 4.804 -11.193 1.00 0.00 H new ATOM 403 N SER A 27 -3.134 4.448 -8.999 1.00 0.00 N ATOM 404 CA SER A 27 -2.071 5.478 -9.002 1.00 0.00 C ATOM 405 C SER A 27 -0.719 4.816 -8.716 1.00 0.00 C ATOM 406 O SER A 27 -0.625 3.949 -7.838 1.00 0.00 O ATOM 407 CB SER A 27 -2.348 6.575 -7.941 1.00 0.00 C ATOM 408 OG SER A 27 -3.577 7.231 -8.188 1.00 0.00 O ATOM 0 H SER A 27 -3.690 4.430 -8.144 1.00 0.00 H new ATOM 0 HA SER A 27 -2.055 5.951 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.366 6.127 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.537 7.303 -7.948 1.00 0.00 H new ATOM 0 HG SER A 27 -3.566 8.116 -7.767 1.00 0.00 H new ATOM 414 N HIS A 28 0.310 5.199 -9.478 1.00 0.00 N ATOM 415 CA HIS A 28 1.693 4.806 -9.199 1.00 0.00 C ATOM 416 C HIS A 28 2.229 5.746 -8.106 1.00 0.00 C ATOM 417 O HIS A 28 2.347 6.959 -8.345 1.00 0.00 O ATOM 418 CB HIS A 28 2.554 4.907 -10.471 1.00 0.00 C ATOM 419 CG HIS A 28 3.885 4.221 -10.349 1.00 0.00 C ATOM 420 ND1 HIS A 28 4.884 4.698 -9.543 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.323 3.115 -10.966 1.00 0.00 C ATOM 422 CE1 HIS A 28 5.903 3.881 -9.709 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.610 2.910 -10.564 1.00 0.00 N ATOM 0 H HIS A 28 0.207 5.789 -10.304 1.00 0.00 H new ATOM 0 HA HIS A 28 1.733 3.770 -8.863 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.006 4.473 -11.307 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.716 5.958 -10.708 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.761 2.500 -11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.856 3.988 -9.212 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.228 2.156 -10.863 1.00 0.00 H new ATOM 431 N ALA A 29 2.518 5.204 -6.908 1.00 0.00 N ATOM 432 CA ALA A 29 2.915 5.997 -5.723 1.00 0.00 C ATOM 433 C ALA A 29 4.176 6.864 -5.933 1.00 0.00 C ATOM 434 O ALA A 29 4.358 7.865 -5.241 1.00 0.00 O ATOM 435 CB ALA A 29 3.100 5.057 -4.524 1.00 0.00 C ATOM 0 H ALA A 29 2.483 4.200 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 29 2.108 6.705 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.393 5.637 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.163 4.539 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.876 4.326 -4.751 1.00 0.00 H new ATOM 441 N ILE A 30 5.023 6.484 -6.898 1.00 0.00 N ATOM 442 CA ILE A 30 6.277 7.202 -7.201 1.00 0.00 C ATOM 443 C ILE A 30 6.063 8.159 -8.396 1.00 0.00 C ATOM 444 O ILE A 30 6.288 9.369 -8.285 1.00 0.00 O ATOM 445 CB ILE A 30 7.447 6.171 -7.483 1.00 0.00 C ATOM 446 CG1 ILE A 30 7.757 5.345 -6.189 1.00 0.00 C ATOM 447 CG2 ILE A 30 8.729 6.842 -8.053 1.00 0.00 C ATOM 448 CD1 ILE A 30 8.878 4.319 -6.329 1.00 0.00 C ATOM 0 H ILE A 30 4.862 5.671 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 30 6.566 7.801 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 30 7.100 5.493 -8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.017 6.037 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.849 4.828 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.492 6.082 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.492 7.337 -8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.103 7.577 -7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.016 3.800 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.616 3.598 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.803 4.826 -6.603 1.00 0.00 H new ATOM 460 N ASP A 31 5.565 7.601 -9.513 1.00 0.00 N ATOM 461 CA ASP A 31 5.532 8.280 -10.831 1.00 0.00 C ATOM 462 C ASP A 31 4.416 9.343 -10.922 1.00 0.00 C ATOM 463 O ASP A 31 4.648 10.452 -11.424 1.00 0.00 O ATOM 464 CB ASP A 31 5.370 7.226 -11.960 1.00 0.00 C ATOM 465 CG ASP A 31 5.417 7.834 -13.375 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.511 8.246 -13.813 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.363 7.925 -14.040 1.00 0.00 O ATOM 0 H ASP A 31 5.170 6.661 -9.532 1.00 0.00 H new ATOM 0 HA ASP A 31 6.479 8.807 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.159 6.480 -11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.422 6.705 -11.828 1.00 0.00 H new ATOM 472 N ASP A 32 3.211 9.005 -10.427 1.00 0.00 N ATOM 473 CA ASP A 32 2.039 9.911 -10.479 1.00 0.00 C ATOM 474 C ASP A 32 2.166 10.994 -9.408 1.00 0.00 C ATOM 475 O ASP A 32 2.054 12.190 -9.697 1.00 0.00 O ATOM 476 CB ASP A 32 0.700 9.131 -10.278 1.00 0.00 C ATOM 477 CG ASP A 32 0.253 8.367 -11.534 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.754 7.260 -11.777 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.590 8.895 -12.302 1.00 0.00 O ATOM 0 H ASP A 32 3.019 8.107 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 32 2.020 10.370 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.817 8.427 -9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.082 9.833 -9.989 1.00 0.00 H new ATOM 484 N LEU A 33 2.413 10.547 -8.168 1.00 0.00 N ATOM 485 CA LEU A 33 2.394 11.416 -6.972 1.00 0.00 C ATOM 486 C LEU A 33 3.675 12.271 -6.828 1.00 0.00 C ATOM 487 O LEU A 33 3.751 13.113 -5.924 1.00 0.00 O ATOM 488 CB LEU A 33 2.169 10.542 -5.712 1.00 0.00 C ATOM 489 CG LEU A 33 0.918 9.602 -5.751 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.803 8.772 -4.458 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.385 10.390 -6.037 1.00 0.00 C ATOM 0 H LEU A 33 2.632 9.573 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 33 1.572 12.123 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.056 9.929 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.079 11.200 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 33 1.060 8.907 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.075 8.129 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.695 8.157 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.708 9.442 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.230 9.702 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.540 11.133 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.303 10.890 -7.002 1.00 0.00 H new ATOM 503 N GLY A 34 4.670 12.033 -7.715 1.00 0.00 N ATOM 504 CA GLY A 34 5.939 12.781 -7.720 1.00 0.00 C ATOM 505 C GLY A 34 6.807 12.505 -6.492 1.00 0.00 C ATOM 506 O GLY A 34 7.598 13.356 -6.071 1.00 0.00 O ATOM 0 H GLY A 34 4.611 11.320 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.500 12.525 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.724 13.848 -7.772 1.00 0.00 H new ATOM 510 N ILE A 35 6.651 11.305 -5.925 1.00 0.00 N ATOM 511 CA ILE A 35 7.351 10.875 -4.703 1.00 0.00 C ATOM 512 C ILE A 35 8.594 10.083 -5.106 1.00 0.00 C ATOM 513 O ILE A 35 8.478 9.117 -5.856 1.00 0.00 O ATOM 514 CB ILE A 35 6.405 9.979 -3.817 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.165 10.802 -3.348 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.152 9.343 -2.613 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.145 10.009 -2.551 1.00 0.00 C ATOM 0 H ILE A 35 6.027 10.593 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 35 7.639 11.749 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 35 6.059 9.151 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.510 11.639 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.673 11.224 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.457 8.735 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.965 8.716 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.559 10.131 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.319 10.661 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.767 9.187 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.616 9.609 -1.653 1.00 0.00 H new ATOM 529 N ASP A 36 9.773 10.502 -4.633 1.00 0.00 N ATOM 530 CA ASP A 36 11.030 9.763 -4.868 1.00 0.00 C ATOM 531 C ASP A 36 11.023 8.417 -4.130 1.00 0.00 C ATOM 532 O ASP A 36 10.316 8.254 -3.129 1.00 0.00 O ATOM 533 CB ASP A 36 12.250 10.601 -4.406 1.00 0.00 C ATOM 534 CG ASP A 36 12.452 11.873 -5.237 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.721 12.860 -5.009 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.332 11.894 -6.126 1.00 0.00 O ATOM 0 H ASP A 36 9.889 11.353 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 36 11.109 9.576 -5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.120 10.874 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.149 9.988 -4.466 1.00 0.00 H new ATOM 541 N SER A 37 11.851 7.477 -4.615 1.00 0.00 N ATOM 542 CA SER A 37 12.030 6.151 -3.999 1.00 0.00 C ATOM 543 C SER A 37 12.619 6.283 -2.578 1.00 0.00 C ATOM 544 O SER A 37 12.414 5.404 -1.750 1.00 0.00 O ATOM 545 CB SER A 37 12.934 5.280 -4.894 1.00 0.00 C ATOM 546 OG SER A 37 12.389 5.167 -6.204 1.00 0.00 O ATOM 0 H SER A 37 12.419 7.616 -5.451 1.00 0.00 H new ATOM 0 HA SER A 37 11.057 5.667 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.931 5.717 -4.946 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.043 4.289 -4.454 1.00 0.00 H new ATOM 0 HG SER A 37 12.978 4.612 -6.757 1.00 0.00 H new ATOM 552 N LEU A 38 13.300 7.424 -2.310 1.00 0.00 N ATOM 553 CA LEU A 38 13.836 7.767 -0.974 1.00 0.00 C ATOM 554 C LEU A 38 12.673 7.975 0.022 1.00 0.00 C ATOM 555 O LEU A 38 12.646 7.389 1.113 1.00 0.00 O ATOM 556 CB LEU A 38 14.691 9.067 -1.053 1.00 0.00 C ATOM 557 CG LEU A 38 15.882 9.059 -2.059 1.00 0.00 C ATOM 558 CD1 LEU A 38 16.602 10.428 -2.094 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.874 7.917 -1.746 1.00 0.00 C ATOM 0 H LEU A 38 13.492 8.133 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 38 14.466 6.947 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.030 9.894 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.086 9.276 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 38 15.469 8.878 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.427 10.387 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.898 11.202 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 38 16.990 10.661 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.693 7.939 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.272 8.046 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.358 6.959 -1.812 1.00 0.00 H new ATOM 571 N ASP A 39 11.720 8.824 -0.392 1.00 0.00 N ATOM 572 CA ASP A 39 10.506 9.146 0.388 1.00 0.00 C ATOM 573 C ASP A 39 9.588 7.920 0.488 1.00 0.00 C ATOM 574 O ASP A 39 8.910 7.729 1.496 1.00 0.00 O ATOM 575 CB ASP A 39 9.752 10.328 -0.270 1.00 0.00 C ATOM 576 CG ASP A 39 10.582 11.622 -0.335 1.00 0.00 C ATOM 577 OD1 ASP A 39 11.454 11.733 -1.224 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.364 12.536 0.495 1.00 0.00 O ATOM 0 H ASP A 39 11.767 9.313 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 39 10.806 9.434 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.456 10.044 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.836 10.521 0.288 1.00 0.00 H new ATOM 583 N PHE A 40 9.612 7.072 -0.560 1.00 0.00 N ATOM 584 CA PHE A 40 8.785 5.855 -0.635 1.00 0.00 C ATOM 585 C PHE A 40 9.347 4.744 0.290 1.00 0.00 C ATOM 586 O PHE A 40 8.600 3.862 0.726 1.00 0.00 O ATOM 587 CB PHE A 40 8.668 5.372 -2.107 1.00 0.00 C ATOM 588 CG PHE A 40 7.610 4.288 -2.324 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.269 4.537 -2.026 1.00 0.00 C ATOM 590 CD2 PHE A 40 7.947 3.032 -2.823 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.309 3.569 -2.218 1.00 0.00 C ATOM 592 CE2 PHE A 40 6.980 2.066 -3.017 1.00 0.00 C ATOM 593 CZ PHE A 40 5.665 2.333 -2.718 1.00 0.00 C ATOM 0 H PHE A 40 10.206 7.213 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 40 7.782 6.093 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.433 6.227 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.636 4.991 -2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.980 5.503 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.977 2.811 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.277 3.777 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.258 1.097 -3.405 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.911 1.576 -2.874 1.00 0.00 H new ATOM 603 N LEU A 41 10.669 4.799 0.583 1.00 0.00 N ATOM 604 CA LEU A 41 11.303 3.955 1.627 1.00 0.00 C ATOM 605 C LEU A 41 10.685 4.273 3.005 1.00 0.00 C ATOM 606 O LEU A 41 10.383 3.369 3.783 1.00 0.00 O ATOM 607 CB LEU A 41 12.842 4.190 1.680 1.00 0.00 C ATOM 608 CG LEU A 41 13.687 3.615 0.500 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.162 4.081 0.594 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.585 2.073 0.444 1.00 0.00 C ATOM 0 H LEU A 41 11.321 5.423 0.108 1.00 0.00 H new ATOM 0 HA LEU A 41 11.122 2.910 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.019 5.264 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.219 3.760 2.608 1.00 0.00 H new ATOM 0 HG LEU A 41 13.276 4.006 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.728 3.666 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.203 5.170 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.594 3.735 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.183 1.699 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.956 1.650 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.544 1.782 0.302 1.00 0.00 H new ATOM 622 N ASP A 42 10.483 5.581 3.258 1.00 0.00 N ATOM 623 CA ASP A 42 9.922 6.091 4.528 1.00 0.00 C ATOM 624 C ASP A 42 8.415 5.775 4.630 1.00 0.00 C ATOM 625 O ASP A 42 7.908 5.470 5.723 1.00 0.00 O ATOM 626 CB ASP A 42 10.171 7.616 4.656 1.00 0.00 C ATOM 627 CG ASP A 42 9.648 8.197 5.984 1.00 0.00 C ATOM 628 OD1 ASP A 42 10.367 8.135 7.009 1.00 0.00 O ATOM 629 OD2 ASP A 42 8.507 8.689 6.017 1.00 0.00 O ATOM 0 H ASP A 42 10.704 6.317 2.587 1.00 0.00 H new ATOM 0 HA ASP A 42 10.429 5.588 5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.240 7.813 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.688 8.129 3.825 1.00 0.00 H new ATOM 634 N ILE A 43 7.714 5.865 3.481 1.00 0.00 N ATOM 635 CA ILE A 43 6.290 5.477 3.370 1.00 0.00 C ATOM 636 C ILE A 43 6.121 4.003 3.758 1.00 0.00 C ATOM 637 O ILE A 43 5.306 3.667 4.618 1.00 0.00 O ATOM 638 CB ILE A 43 5.721 5.698 1.908 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.691 7.214 1.540 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.315 5.060 1.735 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.183 7.533 0.141 1.00 0.00 C ATOM 0 H ILE A 43 8.115 6.207 2.608 1.00 0.00 H new ATOM 0 HA ILE A 43 5.727 6.116 4.050 1.00 0.00 H new ATOM 0 HB ILE A 43 6.398 5.193 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.064 7.735 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.699 7.616 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.959 5.233 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.377 3.988 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.621 5.511 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.202 8.612 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.822 7.048 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.162 7.168 0.033 1.00 0.00 H new ATOM 653 N ALA A 44 6.950 3.144 3.141 1.00 0.00 N ATOM 654 CA ALA A 44 6.873 1.688 3.311 1.00 0.00 C ATOM 655 C ALA A 44 7.345 1.258 4.707 1.00 0.00 C ATOM 656 O ALA A 44 6.945 0.213 5.184 1.00 0.00 O ATOM 657 CB ALA A 44 7.689 0.989 2.225 1.00 0.00 C ATOM 0 H ALA A 44 7.693 3.443 2.510 1.00 0.00 H new ATOM 0 HA ALA A 44 5.829 1.391 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.625 -0.091 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.294 1.256 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.731 1.302 2.294 1.00 0.00 H new ATOM 663 N PHE A 45 8.239 2.059 5.314 1.00 0.00 N ATOM 664 CA PHE A 45 8.634 1.925 6.736 1.00 0.00 C ATOM 665 C PHE A 45 7.412 2.119 7.656 1.00 0.00 C ATOM 666 O PHE A 45 7.193 1.343 8.591 1.00 0.00 O ATOM 667 CB PHE A 45 9.739 2.965 7.079 1.00 0.00 C ATOM 668 CG PHE A 45 10.318 2.861 8.499 1.00 0.00 C ATOM 669 CD1 PHE A 45 9.746 3.558 9.568 1.00 0.00 C ATOM 670 CD2 PHE A 45 11.429 2.062 8.761 1.00 0.00 C ATOM 671 CE1 PHE A 45 10.270 3.456 10.840 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.948 1.964 10.035 1.00 0.00 C ATOM 673 CZ PHE A 45 11.369 2.660 11.074 1.00 0.00 C ATOM 0 H PHE A 45 8.713 2.823 4.833 1.00 0.00 H new ATOM 0 HA PHE A 45 9.029 0.922 6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.553 2.855 6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.328 3.966 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.883 4.184 9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.890 1.511 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.817 4.002 11.654 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.810 1.340 10.219 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.777 2.581 12.071 1.00 0.00 H new ATOM 683 N ALA A 46 6.627 3.171 7.372 1.00 0.00 N ATOM 684 CA ALA A 46 5.426 3.507 8.161 1.00 0.00 C ATOM 685 C ALA A 46 4.323 2.446 7.974 1.00 0.00 C ATOM 686 O ALA A 46 3.588 2.144 8.911 1.00 0.00 O ATOM 687 CB ALA A 46 4.917 4.905 7.788 1.00 0.00 C ATOM 0 H ALA A 46 6.803 3.809 6.596 1.00 0.00 H new ATOM 0 HA ALA A 46 5.700 3.512 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.031 5.139 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.694 5.642 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.664 4.929 6.728 1.00 0.00 H new ATOM 693 N ILE A 47 4.237 1.888 6.752 1.00 0.00 N ATOM 694 CA ILE A 47 3.309 0.786 6.410 1.00 0.00 C ATOM 695 C ILE A 47 3.732 -0.523 7.116 1.00 0.00 C ATOM 696 O ILE A 47 2.893 -1.255 7.655 1.00 0.00 O ATOM 697 CB ILE A 47 3.274 0.547 4.853 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.765 1.806 4.085 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.425 -0.686 4.493 1.00 0.00 C ATOM 700 CD1 ILE A 47 2.827 1.693 2.563 1.00 0.00 C ATOM 0 H ILE A 47 4.813 2.189 5.966 1.00 0.00 H new ATOM 0 HA ILE A 47 2.314 1.074 6.751 1.00 0.00 H new ATOM 0 HB ILE A 47 4.300 0.358 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.734 2.002 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.355 2.668 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.422 -0.822 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.848 -1.571 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.403 -0.539 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.454 2.614 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.859 1.530 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.213 0.854 2.235 1.00 0.00 H new ATOM 712 N ASP A 48 5.045 -0.783 7.075 1.00 0.00 N ATOM 713 CA ASP A 48 5.704 -1.964 7.676 1.00 0.00 C ATOM 714 C ASP A 48 5.285 -2.116 9.148 1.00 0.00 C ATOM 715 O ASP A 48 4.855 -3.179 9.588 1.00 0.00 O ATOM 716 CB ASP A 48 7.241 -1.755 7.562 1.00 0.00 C ATOM 717 CG ASP A 48 8.119 -2.948 7.971 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.467 -3.078 9.167 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.511 -3.736 7.088 1.00 0.00 O ATOM 0 H ASP A 48 5.705 -0.161 6.609 1.00 0.00 H new ATOM 0 HA ASP A 48 5.409 -2.874 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.476 -1.494 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.517 -0.899 8.178 1.00 0.00 H new ATOM 724 N LYS A 49 5.372 -0.999 9.876 1.00 0.00 N ATOM 725 CA LYS A 49 5.008 -0.925 11.301 1.00 0.00 C ATOM 726 C LYS A 49 3.479 -0.882 11.494 1.00 0.00 C ATOM 727 O LYS A 49 2.964 -1.508 12.426 1.00 0.00 O ATOM 728 CB LYS A 49 5.702 0.295 11.978 1.00 0.00 C ATOM 729 CG LYS A 49 7.185 0.059 12.379 1.00 0.00 C ATOM 730 CD LYS A 49 8.109 -0.300 11.191 1.00 0.00 C ATOM 731 CE LYS A 49 9.547 -0.606 11.617 1.00 0.00 C ATOM 732 NZ LYS A 49 10.348 -1.130 10.486 1.00 0.00 N ATOM 0 H LYS A 49 5.699 -0.112 9.494 1.00 0.00 H new ATOM 0 HA LYS A 49 5.365 -1.833 11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.655 1.146 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.138 0.568 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.567 0.957 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.228 -0.744 13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.700 -1.165 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.115 0.527 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.013 0.299 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.540 -1.334 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.142 -1.692 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.748 -1.730 9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.717 -0.336 9.925 1.00 0.00 H new ATOM 746 N ALA A 50 2.769 -0.154 10.601 1.00 0.00 N ATOM 747 CA ALA A 50 1.292 0.012 10.673 1.00 0.00 C ATOM 748 C ALA A 50 0.554 -1.335 10.687 1.00 0.00 C ATOM 749 O ALA A 50 -0.228 -1.618 11.597 1.00 0.00 O ATOM 750 CB ALA A 50 0.792 0.870 9.501 1.00 0.00 C ATOM 0 H ALA A 50 3.197 0.333 9.814 1.00 0.00 H new ATOM 0 HA ALA A 50 1.073 0.516 11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.290 0.982 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.262 1.853 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.049 0.385 8.559 1.00 0.00 H new ATOM 756 N PHE A 51 0.838 -2.156 9.674 1.00 0.00 N ATOM 757 CA PHE A 51 0.212 -3.479 9.496 1.00 0.00 C ATOM 758 C PHE A 51 0.938 -4.566 10.315 1.00 0.00 C ATOM 759 O PHE A 51 0.423 -5.682 10.437 1.00 0.00 O ATOM 760 CB PHE A 51 0.183 -3.846 7.991 1.00 0.00 C ATOM 761 CG PHE A 51 -0.695 -2.922 7.141 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.207 -1.717 6.638 1.00 0.00 C ATOM 763 CD2 PHE A 51 -2.011 -3.267 6.840 1.00 0.00 C ATOM 764 CE1 PHE A 51 -1.001 -0.895 5.862 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.803 -2.444 6.063 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.296 -1.261 5.574 1.00 0.00 C ATOM 0 H PHE A 51 1.513 -1.925 8.945 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.811 -3.427 9.869 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.201 -3.822 7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.175 -4.870 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.808 -1.421 6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.418 -4.192 7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.605 0.035 5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.820 -2.729 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.915 -0.620 4.964 1.00 0.00 H new ATOM 776 N GLY A 52 2.118 -4.220 10.884 1.00 0.00 N ATOM 777 CA GLY A 52 2.942 -5.174 11.644 1.00 0.00 C ATOM 778 C GLY A 52 3.595 -6.230 10.758 1.00 0.00 C ATOM 779 O GLY A 52 3.860 -7.348 11.200 1.00 0.00 O ATOM 0 H GLY A 52 2.516 -3.283 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.717 -4.629 12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.321 -5.667 12.392 1.00 0.00 H new ATOM 783 N ILE A 53 3.874 -5.845 9.504 1.00 0.00 N ATOM 784 CA ILE A 53 4.391 -6.739 8.451 1.00 0.00 C ATOM 785 C ILE A 53 5.861 -6.422 8.181 1.00 0.00 C ATOM 786 O ILE A 53 6.426 -5.499 8.772 1.00 0.00 O ATOM 787 CB ILE A 53 3.580 -6.563 7.108 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.627 -5.073 6.616 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.121 -7.049 7.266 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.005 -4.828 5.260 1.00 0.00 C ATOM 0 H ILE A 53 3.745 -4.885 9.185 1.00 0.00 H new ATOM 0 HA ILE A 53 4.282 -7.766 8.799 1.00 0.00 H new ATOM 0 HB ILE A 53 4.055 -7.184 6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.119 -4.448 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.667 -4.749 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.589 -6.915 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.117 -8.105 7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.628 -6.471 8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.086 -3.771 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.526 -5.421 4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.954 -5.115 5.285 1.00 0.00 H new ATOM 802 N LYS A 54 6.484 -7.216 7.288 1.00 0.00 N ATOM 803 CA LYS A 54 7.849 -6.971 6.811 1.00 0.00 C ATOM 804 C LYS A 54 7.830 -6.789 5.283 1.00 0.00 C ATOM 805 O LYS A 54 7.806 -7.775 4.543 1.00 0.00 O ATOM 806 CB LYS A 54 8.819 -8.124 7.215 1.00 0.00 C ATOM 807 CG LYS A 54 8.813 -8.529 8.711 1.00 0.00 C ATOM 808 CD LYS A 54 9.040 -7.364 9.725 1.00 0.00 C ATOM 809 CE LYS A 54 10.367 -6.588 9.550 1.00 0.00 C ATOM 810 NZ LYS A 54 10.262 -5.478 8.574 1.00 0.00 N ATOM 0 H LYS A 54 6.050 -8.044 6.880 1.00 0.00 H new ATOM 0 HA LYS A 54 8.220 -6.061 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.572 -9.004 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.833 -7.830 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.858 -9.003 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.587 -9.280 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.212 -6.661 9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.006 -7.771 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.678 -6.188 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.145 -7.278 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.023 -4.791 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.348 -5.855 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.341 -5.008 8.681 1.00 0.00 H new ATOM 824 N LEU A 55 7.791 -5.523 4.831 1.00 0.00 N ATOM 825 CA LEU A 55 7.942 -5.156 3.410 1.00 0.00 C ATOM 826 C LEU A 55 9.429 -5.219 3.008 1.00 0.00 C ATOM 827 O LEU A 55 10.235 -4.474 3.569 1.00 0.00 O ATOM 828 CB LEU A 55 7.403 -3.714 3.139 1.00 0.00 C ATOM 829 CG LEU A 55 5.858 -3.521 3.227 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.475 -2.036 3.078 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.123 -4.385 2.174 1.00 0.00 C ATOM 0 H LEU A 55 7.653 -4.720 5.445 1.00 0.00 H new ATOM 0 HA LEU A 55 7.363 -5.864 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.873 -3.035 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.729 -3.409 2.145 1.00 0.00 H new ATOM 0 HG LEU A 55 5.541 -3.855 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.392 -1.931 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.944 -1.458 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.818 -1.667 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.048 -4.228 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.452 -4.099 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.351 -5.437 2.343 1.00 0.00 H new ATOM 843 N PRO A 56 9.836 -6.115 2.058 1.00 0.00 N ATOM 844 CA PRO A 56 11.177 -6.066 1.438 1.00 0.00 C ATOM 845 C PRO A 56 11.189 -5.066 0.255 1.00 0.00 C ATOM 846 O PRO A 56 11.541 -5.417 -0.874 1.00 0.00 O ATOM 847 CB PRO A 56 11.388 -7.532 0.994 1.00 0.00 C ATOM 848 CG PRO A 56 10.013 -8.005 0.625 1.00 0.00 C ATOM 849 CD PRO A 56 9.044 -7.266 1.542 1.00 0.00 C ATOM 0 HA PRO A 56 11.972 -5.716 2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.072 -7.598 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.814 -8.134 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.797 -7.792 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.925 -9.084 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.160 -6.930 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.696 -7.906 2.353 1.00 0.00 H new ATOM 857 N LEU A 57 10.827 -3.804 0.571 1.00 0.00 N ATOM 858 CA LEU A 57 10.696 -2.698 -0.407 1.00 0.00 C ATOM 859 C LEU A 57 12.039 -2.461 -1.112 1.00 0.00 C ATOM 860 O LEU A 57 12.085 -2.280 -2.332 1.00 0.00 O ATOM 861 CB LEU A 57 10.194 -1.396 0.317 1.00 0.00 C ATOM 862 CG LEU A 57 9.553 -0.255 -0.562 1.00 0.00 C ATOM 863 CD1 LEU A 57 10.569 0.511 -1.436 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.386 -0.811 -1.399 1.00 0.00 C ATOM 0 H LEU A 57 10.614 -3.519 1.527 1.00 0.00 H new ATOM 0 HA LEU A 57 9.959 -2.968 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.459 -1.693 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.040 -0.967 0.855 1.00 0.00 H new ATOM 0 HG LEU A 57 9.165 0.488 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.050 1.278 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.318 0.980 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.058 -0.184 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.955 -0.010 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.753 -1.600 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.623 -1.217 -0.735 1.00 0.00 H new ATOM 876 N GLU A 58 13.117 -2.510 -0.315 1.00 0.00 N ATOM 877 CA GLU A 58 14.495 -2.325 -0.793 1.00 0.00 C ATOM 878 C GLU A 58 14.875 -3.417 -1.826 1.00 0.00 C ATOM 879 O GLU A 58 15.504 -3.117 -2.835 1.00 0.00 O ATOM 880 CB GLU A 58 15.474 -2.336 0.413 1.00 0.00 C ATOM 881 CG GLU A 58 15.417 -3.615 1.278 1.00 0.00 C ATOM 882 CD GLU A 58 16.402 -3.597 2.454 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.568 -4.008 2.268 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.015 -3.171 3.564 1.00 0.00 O ATOM 0 H GLU A 58 13.056 -2.681 0.689 1.00 0.00 H new ATOM 0 HA GLU A 58 14.566 -1.360 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.490 -2.211 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.259 -1.475 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.405 -3.740 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.628 -4.480 0.649 1.00 0.00 H new ATOM 891 N LYS A 59 14.422 -4.666 -1.565 1.00 0.00 N ATOM 892 CA LYS A 59 14.675 -5.837 -2.444 1.00 0.00 C ATOM 893 C LYS A 59 13.980 -5.643 -3.790 1.00 0.00 C ATOM 894 O LYS A 59 14.582 -5.847 -4.842 1.00 0.00 O ATOM 895 CB LYS A 59 14.173 -7.170 -1.768 1.00 0.00 C ATOM 896 CG LYS A 59 15.262 -8.235 -1.448 1.00 0.00 C ATOM 897 CD LYS A 59 16.086 -7.952 -0.148 1.00 0.00 C ATOM 898 CE LYS A 59 17.169 -6.861 -0.310 1.00 0.00 C ATOM 899 NZ LYS A 59 17.914 -6.608 0.947 1.00 0.00 N ATOM 0 H LYS A 59 13.870 -4.892 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 59 15.751 -5.916 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.664 -6.912 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.430 -7.626 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.782 -9.209 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.949 -8.298 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.401 -7.653 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.563 -8.877 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.869 -7.162 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.700 -5.935 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.684 -5.658 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.646 -7.318 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.936 -6.671 0.764 1.00 0.00 H new ATOM 913 N TRP A 60 12.705 -5.228 -3.701 1.00 0.00 N ATOM 914 CA TRP A 60 11.831 -4.972 -4.856 1.00 0.00 C ATOM 915 C TRP A 60 12.420 -3.875 -5.755 1.00 0.00 C ATOM 916 O TRP A 60 12.384 -3.984 -6.982 1.00 0.00 O ATOM 917 CB TRP A 60 10.420 -4.564 -4.366 1.00 0.00 C ATOM 918 CG TRP A 60 9.677 -5.629 -3.589 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.905 -6.979 -3.587 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.558 -5.418 -2.725 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.985 -7.605 -2.796 1.00 0.00 N ATOM 922 CE2 TRP A 60 8.153 -6.672 -2.252 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.864 -4.285 -2.301 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.077 -6.834 -1.396 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.795 -4.440 -1.445 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.415 -5.709 -0.995 1.00 0.00 C ATOM 0 H TRP A 60 12.245 -5.058 -2.806 1.00 0.00 H new ATOM 0 HA TRP A 60 11.755 -5.887 -5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.513 -3.677 -3.739 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.820 -4.282 -5.231 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.695 -7.475 -4.131 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.929 -8.611 -2.637 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.159 -3.302 -2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.773 -7.814 -1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.244 -3.571 -1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.580 -5.801 -0.316 1.00 0.00 H new ATOM 937 N THR A 61 12.985 -2.835 -5.109 1.00 0.00 N ATOM 938 CA THR A 61 13.630 -1.708 -5.803 1.00 0.00 C ATOM 939 C THR A 61 14.927 -2.175 -6.505 1.00 0.00 C ATOM 940 O THR A 61 15.240 -1.723 -7.605 1.00 0.00 O ATOM 941 CB THR A 61 13.938 -0.534 -4.812 1.00 0.00 C ATOM 942 OG1 THR A 61 12.744 -0.158 -4.107 1.00 0.00 O ATOM 943 CG2 THR A 61 14.500 0.712 -5.529 1.00 0.00 C ATOM 0 H THR A 61 13.006 -2.755 -4.092 1.00 0.00 H new ATOM 0 HA THR A 61 12.936 -1.338 -6.558 1.00 0.00 H new ATOM 0 HB THR A 61 14.696 -0.899 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.473 -0.887 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.696 1.495 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.428 0.451 -6.039 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.774 1.071 -6.258 1.00 0.00 H new ATOM 951 N GLN A 62 15.642 -3.129 -5.874 1.00 0.00 N ATOM 952 CA GLN A 62 16.886 -3.694 -6.428 1.00 0.00 C ATOM 953 C GLN A 62 16.575 -4.626 -7.609 1.00 0.00 C ATOM 954 O GLN A 62 17.401 -4.769 -8.506 1.00 0.00 O ATOM 955 CB GLN A 62 17.703 -4.447 -5.345 1.00 0.00 C ATOM 956 CG GLN A 62 18.278 -3.548 -4.226 1.00 0.00 C ATOM 957 CD GLN A 62 19.251 -2.450 -4.708 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.313 -1.369 -4.125 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.038 -2.724 -5.747 1.00 0.00 N ATOM 0 H GLN A 62 15.375 -3.526 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 62 17.495 -2.864 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.066 -5.206 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.526 -4.971 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.450 -3.073 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.795 -4.179 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.969 -3.628 -6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.710 -2.030 -6.075 1.00 0.00 H new ATOM 968 N GLU A 63 15.388 -5.270 -7.589 1.00 0.00 N ATOM 969 CA GLU A 63 14.899 -6.083 -8.725 1.00 0.00 C ATOM 970 C GLU A 63 14.632 -5.188 -9.940 1.00 0.00 C ATOM 971 O GLU A 63 14.961 -5.548 -11.068 1.00 0.00 O ATOM 972 CB GLU A 63 13.613 -6.867 -8.356 1.00 0.00 C ATOM 973 CG GLU A 63 13.779 -7.881 -7.220 1.00 0.00 C ATOM 974 CD GLU A 63 12.539 -8.764 -7.019 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.483 -8.234 -6.604 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.612 -9.989 -7.266 1.00 0.00 O ATOM 0 H GLU A 63 14.748 -5.242 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 63 15.676 -6.807 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.838 -6.154 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.258 -7.392 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.640 -8.516 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.993 -7.349 -6.293 1.00 0.00 H new ATOM 983 N VAL A 64 14.037 -4.016 -9.679 1.00 0.00 N ATOM 984 CA VAL A 64 13.792 -2.988 -10.705 1.00 0.00 C ATOM 985 C VAL A 64 15.124 -2.503 -11.317 1.00 0.00 C ATOM 986 O VAL A 64 15.246 -2.357 -12.541 1.00 0.00 O ATOM 987 CB VAL A 64 12.979 -1.780 -10.121 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.753 -0.680 -11.184 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.630 -2.260 -9.538 1.00 0.00 C ATOM 0 H VAL A 64 13.711 -3.752 -8.749 1.00 0.00 H new ATOM 0 HA VAL A 64 13.192 -3.441 -11.494 1.00 0.00 H new ATOM 0 HB VAL A 64 13.570 -1.344 -9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.187 0.141 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.716 -0.309 -11.534 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.197 -1.095 -12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.082 -1.407 -9.138 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.042 -2.733 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.814 -2.979 -8.740 1.00 0.00 H new ATOM 999 N ASN A 65 16.115 -2.287 -10.437 1.00 0.00 N ATOM 1000 CA ASN A 65 17.491 -1.919 -10.827 1.00 0.00 C ATOM 1001 C ASN A 65 18.144 -3.030 -11.675 1.00 0.00 C ATOM 1002 O ASN A 65 18.844 -2.740 -12.648 1.00 0.00 O ATOM 1003 CB ASN A 65 18.369 -1.628 -9.568 1.00 0.00 C ATOM 1004 CG ASN A 65 17.875 -0.454 -8.713 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.271 0.489 -9.220 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.135 -0.500 -7.409 1.00 0.00 N ATOM 0 H ASN A 65 15.986 -2.363 -9.428 1.00 0.00 H new ATOM 0 HA ASN A 65 17.429 -1.013 -11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.404 -2.524 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.390 -1.423 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.831 0.261 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.638 -1.296 -7.017 1.00 0.00 H new ATOM 1013 N ASP A 66 17.894 -4.304 -11.301 1.00 0.00 N ATOM 1014 CA ASP A 66 18.532 -5.487 -11.931 1.00 0.00 C ATOM 1015 C ASP A 66 17.751 -5.995 -13.173 1.00 0.00 C ATOM 1016 O ASP A 66 18.222 -6.888 -13.885 1.00 0.00 O ATOM 1017 CB ASP A 66 18.645 -6.604 -10.849 1.00 0.00 C ATOM 1018 CG ASP A 66 19.522 -7.802 -11.264 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.767 -7.672 -11.239 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.983 -8.869 -11.615 1.00 0.00 O ATOM 0 H ASP A 66 17.244 -4.544 -10.553 1.00 0.00 H new ATOM 0 HA ASP A 66 19.519 -5.204 -12.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.052 -6.169 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.645 -6.966 -10.611 1.00 0.00 H new ATOM 1025 N GLY A 67 16.576 -5.389 -13.446 1.00 0.00 N ATOM 1026 CA GLY A 67 15.702 -5.818 -14.550 1.00 0.00 C ATOM 1027 C GLY A 67 14.888 -7.085 -14.277 1.00 0.00 C ATOM 1028 O GLY A 67 14.307 -7.651 -15.208 1.00 0.00 O ATOM 0 H GLY A 67 16.213 -4.599 -12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.014 -5.006 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.315 -5.982 -15.436 1.00 0.00 H new ATOM 1032 N LYS A 68 14.845 -7.542 -13.009 1.00 0.00 N ATOM 1033 CA LYS A 68 13.971 -8.669 -12.588 1.00 0.00 C ATOM 1034 C LYS A 68 12.521 -8.196 -12.378 1.00 0.00 C ATOM 1035 O LYS A 68 11.579 -8.983 -12.514 1.00 0.00 O ATOM 1036 CB LYS A 68 14.500 -9.334 -11.292 1.00 0.00 C ATOM 1037 CG LYS A 68 15.857 -10.046 -11.462 1.00 0.00 C ATOM 1038 CD LYS A 68 16.342 -10.739 -10.165 1.00 0.00 C ATOM 1039 CE LYS A 68 16.594 -9.749 -9.011 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.017 -10.428 -7.765 1.00 0.00 N ATOM 0 H LYS A 68 15.405 -7.150 -12.252 1.00 0.00 H new ATOM 0 HA LYS A 68 13.986 -9.408 -13.389 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.595 -8.573 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.764 -10.056 -10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.775 -10.789 -12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.605 -9.320 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.599 -11.472 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.261 -11.286 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.361 -9.035 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.685 -9.179 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.174 -9.720 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.275 -11.091 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.899 -10.951 -7.937 1.00 0.00 H new ATOM 1054 N ALA A 69 12.367 -6.909 -12.044 1.00 0.00 N ATOM 1055 CA ALA A 69 11.059 -6.254 -11.863 1.00 0.00 C ATOM 1056 C ALA A 69 11.084 -4.879 -12.534 1.00 0.00 C ATOM 1057 O ALA A 69 12.123 -4.440 -13.046 1.00 0.00 O ATOM 1058 CB ALA A 69 10.708 -6.122 -10.364 1.00 0.00 C ATOM 0 H ALA A 69 13.156 -6.282 -11.889 1.00 0.00 H new ATOM 0 HA ALA A 69 10.288 -6.869 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.738 -5.635 -10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.668 -7.113 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.470 -5.525 -9.863 1.00 0.00 H new ATOM 1064 N THR A 70 9.925 -4.219 -12.546 1.00 0.00 N ATOM 1065 CA THR A 70 9.755 -2.841 -13.038 1.00 0.00 C ATOM 1066 C THR A 70 8.909 -2.048 -12.014 1.00 0.00 C ATOM 1067 O THR A 70 8.069 -2.648 -11.313 1.00 0.00 O ATOM 1068 CB THR A 70 9.059 -2.859 -14.451 1.00 0.00 C ATOM 1069 OG1 THR A 70 9.874 -3.589 -15.381 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.797 -1.460 -15.036 1.00 0.00 C ATOM 0 H THR A 70 9.056 -4.632 -12.208 1.00 0.00 H new ATOM 0 HA THR A 70 10.726 -2.358 -13.148 1.00 0.00 H new ATOM 0 HB THR A 70 8.090 -3.335 -14.300 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.438 -3.600 -16.259 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.316 -1.557 -16.009 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.146 -0.901 -14.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.743 -0.930 -15.150 1.00 0.00 H new ATOM 1078 N THR A 71 9.167 -0.715 -11.902 1.00 0.00 N ATOM 1079 CA THR A 71 8.373 0.201 -11.059 1.00 0.00 C ATOM 1080 C THR A 71 6.896 0.173 -11.501 1.00 0.00 C ATOM 1081 O THR A 71 6.504 0.896 -12.416 1.00 0.00 O ATOM 1082 CB THR A 71 8.938 1.671 -11.092 1.00 0.00 C ATOM 1083 OG1 THR A 71 9.328 2.009 -12.434 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.119 1.863 -10.131 1.00 0.00 C ATOM 0 H THR A 71 9.931 -0.254 -12.396 1.00 0.00 H new ATOM 0 HA THR A 71 8.445 -0.145 -10.028 1.00 0.00 H new ATOM 0 HB THR A 71 8.143 2.339 -10.759 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.594 1.803 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.473 2.892 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.797 1.648 -9.112 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.927 1.185 -10.407 1.00 0.00 H new ATOM 1092 N GLU A 72 6.123 -0.702 -10.833 1.00 0.00 N ATOM 1093 CA GLU A 72 4.723 -1.004 -11.149 1.00 0.00 C ATOM 1094 C GLU A 72 4.259 -2.121 -10.215 1.00 0.00 C ATOM 1095 O GLU A 72 3.400 -1.912 -9.344 1.00 0.00 O ATOM 1096 CB GLU A 72 4.590 -1.420 -12.656 1.00 0.00 C ATOM 1097 CG GLU A 72 3.182 -1.786 -13.175 1.00 0.00 C ATOM 1098 CD GLU A 72 2.774 -3.258 -12.935 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.369 -4.160 -13.565 1.00 0.00 O ATOM 1100 OE2 GLU A 72 1.886 -3.527 -12.098 1.00 0.00 O ATOM 0 H GLU A 72 6.470 -1.233 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 72 4.094 -0.126 -11.000 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.970 -0.600 -13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.244 -2.275 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.451 -1.136 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.137 -1.579 -14.244 1.00 0.00 H new ATOM 1107 N GLN A 73 4.917 -3.285 -10.391 1.00 0.00 N ATOM 1108 CA GLN A 73 4.583 -4.566 -9.732 1.00 0.00 C ATOM 1109 C GLN A 73 4.443 -4.467 -8.202 1.00 0.00 C ATOM 1110 O GLN A 73 3.711 -5.252 -7.597 1.00 0.00 O ATOM 1111 CB GLN A 73 5.662 -5.620 -10.094 1.00 0.00 C ATOM 1112 CG GLN A 73 5.671 -6.057 -11.571 1.00 0.00 C ATOM 1113 CD GLN A 73 6.846 -6.971 -11.906 1.00 0.00 C ATOM 1114 OE1 GLN A 73 7.891 -6.508 -12.349 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.700 -8.266 -11.652 1.00 0.00 N ATOM 0 H GLN A 73 5.720 -3.363 -11.015 1.00 0.00 H new ATOM 0 HA GLN A 73 3.602 -4.863 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.643 -5.215 -9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.512 -6.501 -9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.738 -6.573 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.710 -5.173 -12.207 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.816 -8.617 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.472 -8.910 -11.825 1.00 0.00 H new ATOM 1124 N TYR A 74 5.176 -3.526 -7.588 1.00 0.00 N ATOM 1125 CA TYR A 74 5.159 -3.318 -6.125 1.00 0.00 C ATOM 1126 C TYR A 74 5.007 -1.825 -5.778 1.00 0.00 C ATOM 1127 O TYR A 74 4.973 -1.465 -4.601 1.00 0.00 O ATOM 1128 CB TYR A 74 6.483 -3.875 -5.516 1.00 0.00 C ATOM 1129 CG TYR A 74 6.840 -5.305 -5.972 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.178 -6.412 -5.443 1.00 0.00 C ATOM 1131 CD2 TYR A 74 7.810 -5.537 -6.955 1.00 0.00 C ATOM 1132 CE1 TYR A 74 6.471 -7.690 -5.868 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.097 -6.816 -7.387 1.00 0.00 C ATOM 1134 CZ TYR A 74 7.421 -7.888 -6.838 1.00 0.00 C ATOM 1135 OH TYR A 74 7.696 -9.168 -7.273 1.00 0.00 O ATOM 0 H TYR A 74 5.796 -2.888 -8.086 1.00 0.00 H new ATOM 0 HA TYR A 74 4.304 -3.847 -5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.301 -3.206 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.403 -3.862 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.422 -6.265 -4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.343 -4.700 -7.383 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.953 -8.535 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.845 -6.977 -8.149 1.00 0.00 H new ATOM 0 HH TYR A 74 8.392 -9.137 -7.963 1.00 0.00 H new ATOM 1145 N PHE A 75 4.902 -0.955 -6.811 1.00 0.00 N ATOM 1146 CA PHE A 75 5.065 0.512 -6.660 1.00 0.00 C ATOM 1147 C PHE A 75 3.795 1.269 -7.119 1.00 0.00 C ATOM 1148 O PHE A 75 3.778 2.505 -7.153 1.00 0.00 O ATOM 1149 CB PHE A 75 6.324 0.962 -7.454 1.00 0.00 C ATOM 1150 CG PHE A 75 7.605 0.250 -6.997 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.365 0.752 -5.945 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.018 -0.943 -7.594 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.498 0.093 -5.504 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.152 -1.598 -7.155 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.889 -1.082 -6.109 1.00 0.00 C ATOM 0 H PHE A 75 4.703 -1.248 -7.768 1.00 0.00 H new ATOM 0 HA PHE A 75 5.205 0.756 -5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.166 0.769 -8.515 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.453 2.038 -7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.065 1.672 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.444 -1.358 -8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.076 0.499 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.462 -2.516 -7.632 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.772 -1.599 -5.764 1.00 0.00 H new ATOM 1165 N VAL A 76 2.737 0.510 -7.462 1.00 0.00 N ATOM 1166 CA VAL A 76 1.375 1.045 -7.682 1.00 0.00 C ATOM 1167 C VAL A 76 0.521 0.657 -6.468 1.00 0.00 C ATOM 1168 O VAL A 76 0.726 -0.409 -5.920 1.00 0.00 O ATOM 1169 CB VAL A 76 0.741 0.479 -9.007 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.741 0.897 -9.189 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.577 0.906 -10.234 1.00 0.00 C ATOM 0 H VAL A 76 2.801 -0.499 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 76 1.418 2.129 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 76 0.755 -0.608 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.126 0.478 -10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.330 0.523 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.811 1.984 -9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.123 0.505 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.607 1.994 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.592 0.520 -10.135 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.428 1.522 -6.082 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.264 1.378 -4.863 1.00 0.00 C ATOM 1183 C LEU A 77 -1.976 0.011 -4.739 1.00 0.00 C ATOM 1184 O LEU A 77 -1.993 -0.568 -3.656 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.300 2.545 -4.795 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.858 3.825 -4.032 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.647 3.532 -2.536 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.620 4.491 -4.667 1.00 0.00 C ATOM 0 H LEU A 77 -0.647 2.363 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.581 1.427 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.560 2.829 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.209 2.167 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.670 4.547 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.338 4.445 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.579 3.171 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.874 2.772 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.352 5.380 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.215 3.790 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.846 4.774 -5.695 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.558 -0.486 -5.846 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.298 -1.776 -5.856 1.00 0.00 C ATOM 1202 C LYS A 78 -2.328 -2.948 -5.662 1.00 0.00 C ATOM 1203 O LYS A 78 -2.595 -3.863 -4.880 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.124 -1.927 -7.170 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.290 -1.837 -8.475 1.00 0.00 C ATOM 1206 CD LYS A 78 -4.149 -1.608 -9.738 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.294 -1.450 -11.010 1.00 0.00 C ATOM 1208 NZ LYS A 78 -2.553 -2.694 -11.354 1.00 0.00 N ATOM 0 H LYS A 78 -2.534 -0.017 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.002 -1.783 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.640 -2.887 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.891 -1.153 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.570 -1.024 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.718 -2.757 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.833 -2.447 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.760 -0.716 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.937 -1.171 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.584 -0.635 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.130 -2.596 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.801 -2.855 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.209 -3.501 -11.350 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.177 -2.870 -6.346 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.119 -3.891 -6.273 1.00 0.00 C ATOM 1224 C ASN A 79 0.485 -3.942 -4.865 1.00 0.00 C ATOM 1225 O ASN A 79 0.614 -5.013 -4.285 1.00 0.00 O ATOM 1226 CB ASN A 79 0.990 -3.592 -7.312 1.00 0.00 C ATOM 1227 CG ASN A 79 0.535 -3.756 -8.761 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.395 -3.090 -9.210 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.172 -4.658 -9.497 1.00 0.00 N ATOM 0 H ASN A 79 -0.952 -2.094 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.564 -4.860 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.347 -2.573 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.835 -4.255 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.893 -4.815 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.940 -5.194 -9.094 1.00 0.00 H new ATOM 1236 N LEU A 80 0.806 -2.754 -4.337 1.00 0.00 N ATOM 1237 CA LEU A 80 1.434 -2.564 -3.024 1.00 0.00 C ATOM 1238 C LEU A 80 0.504 -3.075 -1.911 1.00 0.00 C ATOM 1239 O LEU A 80 0.915 -3.894 -1.099 1.00 0.00 O ATOM 1240 CB LEU A 80 1.781 -1.062 -2.807 1.00 0.00 C ATOM 1241 CG LEU A 80 2.483 -0.695 -1.453 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.846 -1.415 -1.291 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.628 0.837 -1.302 1.00 0.00 C ATOM 0 H LEU A 80 0.631 -1.875 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 80 2.359 -3.139 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.426 -0.739 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.859 -0.485 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 80 1.842 -1.052 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.296 -1.132 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.692 -2.494 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.509 -1.127 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.118 1.065 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.228 1.228 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.641 1.299 -1.320 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.767 -2.624 -1.939 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.801 -3.019 -0.953 1.00 0.00 C ATOM 1257 C ALA A 81 -2.079 -4.535 -1.011 1.00 0.00 C ATOM 1258 O ALA A 81 -2.449 -5.148 -0.004 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.094 -2.220 -1.172 1.00 0.00 C ATOM 0 H ALA A 81 -1.109 -1.974 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.419 -2.788 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.839 -2.526 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.888 -1.156 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.474 -2.411 -2.176 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.870 -5.123 -2.199 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.982 -6.566 -2.406 1.00 0.00 C ATOM 1267 C ALA A 82 -0.828 -7.309 -1.705 1.00 0.00 C ATOM 1268 O ALA A 82 -1.067 -8.302 -1.018 1.00 0.00 O ATOM 1269 CB ALA A 82 -2.015 -6.889 -3.902 1.00 0.00 C ATOM 0 H ALA A 82 -1.618 -4.606 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.917 -6.908 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.099 -7.967 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.872 -6.397 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.098 -6.533 -4.371 1.00 0.00 H new ATOM 1275 N ARG A 83 0.414 -6.791 -1.870 1.00 0.00 N ATOM 1276 CA ARG A 83 1.628 -7.356 -1.222 1.00 0.00 C ATOM 1277 C ARG A 83 1.459 -7.377 0.304 1.00 0.00 C ATOM 1278 O ARG A 83 1.717 -8.384 0.960 1.00 0.00 O ATOM 1279 CB ARG A 83 2.917 -6.529 -1.547 1.00 0.00 C ATOM 1280 CG ARG A 83 3.183 -6.221 -3.034 1.00 0.00 C ATOM 1281 CD ARG A 83 2.965 -7.435 -3.952 1.00 0.00 C ATOM 1282 NE ARG A 83 3.792 -8.596 -3.586 1.00 0.00 N ATOM 1283 CZ ARG A 83 3.930 -9.694 -4.330 1.00 0.00 C ATOM 1284 NH1 ARG A 83 3.356 -9.785 -5.523 1.00 0.00 N ATOM 1285 NH2 ARG A 83 4.646 -10.697 -3.888 1.00 0.00 N ATOM 0 H ARG A 83 0.604 -5.975 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 83 1.744 -8.365 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.860 -5.583 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.777 -7.069 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.528 -5.410 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.208 -5.867 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.914 -7.722 -3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.187 -7.149 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 83 4.296 -8.558 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.800 -9.009 -5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.470 -10.631 -6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.098 -10.638 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.752 -11.537 -4.456 1.00 0.00 H new ATOM 1299 N ILE A 84 0.987 -6.235 0.809 1.00 0.00 N ATOM 1300 CA ILE A 84 0.752 -5.971 2.233 1.00 0.00 C ATOM 1301 C ILE A 84 -0.250 -6.980 2.814 1.00 0.00 C ATOM 1302 O ILE A 84 0.014 -7.580 3.854 1.00 0.00 O ATOM 1303 CB ILE A 84 0.218 -4.503 2.391 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.321 -3.482 1.959 1.00 0.00 C ATOM 1305 CG2 ILE A 84 -0.297 -4.212 3.817 1.00 0.00 C ATOM 1306 CD1 ILE A 84 0.826 -2.063 1.752 1.00 0.00 C ATOM 0 H ILE A 84 0.749 -5.439 0.217 1.00 0.00 H new ATOM 0 HA ILE A 84 1.686 -6.081 2.785 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.642 -4.390 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.104 -3.472 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.778 -3.832 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.655 -3.184 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.114 -4.893 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.513 -4.353 4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.659 -1.427 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.065 -2.053 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.397 -1.688 2.681 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.374 -7.173 2.095 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.424 -8.151 2.455 1.00 0.00 C ATOM 1320 C ASP A 85 -1.844 -9.577 2.567 1.00 0.00 C ATOM 1321 O ASP A 85 -2.104 -10.279 3.547 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.571 -8.102 1.403 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.567 -9.281 1.506 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.416 -9.293 2.419 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.501 -10.206 0.670 1.00 0.00 O ATOM 0 H ASP A 85 -1.581 -6.652 1.243 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.827 -7.884 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.118 -7.166 1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.135 -8.094 0.404 1.00 0.00 H new ATOM 1330 N GLU A 86 -1.030 -9.967 1.568 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.397 -11.298 1.518 1.00 0.00 C ATOM 1332 C GLU A 86 0.574 -11.494 2.694 1.00 0.00 C ATOM 1333 O GLU A 86 0.694 -12.595 3.216 1.00 0.00 O ATOM 1334 CB GLU A 86 0.350 -11.501 0.177 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.551 -11.439 -1.062 1.00 0.00 C ATOM 1336 CD GLU A 86 0.212 -11.701 -2.370 1.00 0.00 C ATOM 1337 OE1 GLU A 86 0.918 -10.783 -2.860 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.132 -12.829 -2.904 1.00 0.00 O ATOM 0 H GLU A 86 -0.793 -9.370 0.775 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.189 -12.043 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.125 -10.740 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.854 -12.467 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.351 -12.173 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.023 -10.458 -1.113 1.00 0.00 H new ATOM 1345 N LEU A 87 1.257 -10.409 3.094 1.00 0.00 N ATOM 1346 CA LEU A 87 2.190 -10.423 4.241 1.00 0.00 C ATOM 1347 C LEU A 87 1.449 -10.462 5.593 1.00 0.00 C ATOM 1348 O LEU A 87 1.956 -11.058 6.544 1.00 0.00 O ATOM 1349 CB LEU A 87 3.165 -9.221 4.171 1.00 0.00 C ATOM 1350 CG LEU A 87 4.096 -9.201 2.916 1.00 0.00 C ATOM 1351 CD1 LEU A 87 4.998 -7.957 2.903 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.921 -10.504 2.801 1.00 0.00 C ATOM 0 H LEU A 87 1.181 -9.500 2.637 1.00 0.00 H new ATOM 0 HA LEU A 87 2.773 -11.342 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.584 -8.299 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.787 -9.223 5.066 1.00 0.00 H new ATOM 0 HG LEU A 87 3.455 -9.145 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.632 -7.976 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.380 -7.059 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.623 -7.952 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.557 -10.455 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.542 -10.621 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.246 -11.356 2.716 1.00 0.00 H new ATOM 1364 N VAL A 88 0.249 -9.840 5.665 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.645 -9.950 6.845 1.00 0.00 C ATOM 1366 C VAL A 88 -1.119 -11.415 6.996 1.00 0.00 C ATOM 1367 O VAL A 88 -1.133 -11.988 8.101 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.896 -8.986 6.745 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.861 -9.190 7.948 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.464 -7.496 6.645 1.00 0.00 C ATOM 0 H VAL A 88 -0.125 -9.255 4.918 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.074 -9.646 7.722 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.427 -9.245 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.711 -8.514 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.216 -10.220 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.333 -8.979 8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.350 -6.864 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.890 -7.223 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.849 -7.354 5.756 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.442 -12.015 5.846 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.903 -13.400 5.754 1.00 0.00 C ATOM 1382 C ALA A 89 -0.779 -14.373 6.148 1.00 0.00 C ATOM 1383 O ALA A 89 -0.998 -15.292 6.933 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.396 -13.687 4.329 1.00 0.00 C ATOM 0 H ALA A 89 -1.389 -11.545 4.942 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.730 -13.545 6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.739 -14.720 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.220 -13.015 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.580 -13.530 3.623 1.00 0.00 H new ATOM 1390 N ALA A 90 0.433 -14.121 5.614 1.00 0.00 N ATOM 1391 CA ALA A 90 1.627 -14.959 5.830 1.00 0.00 C ATOM 1392 C ALA A 90 2.095 -14.933 7.290 1.00 0.00 C ATOM 1393 O ALA A 90 2.475 -15.971 7.837 1.00 0.00 O ATOM 1394 CB ALA A 90 2.758 -14.512 4.890 1.00 0.00 C ATOM 0 H ALA A 90 0.611 -13.317 5.012 1.00 0.00 H new ATOM 0 HA ALA A 90 1.355 -15.989 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.637 -15.136 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.432 -14.612 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.009 -13.471 5.092 1.00 0.00 H new ATOM 1400 N LYS A 91 2.038 -13.749 7.925 1.00 0.00 N ATOM 1401 CA LYS A 91 2.466 -13.581 9.329 1.00 0.00 C ATOM 1402 C LYS A 91 1.383 -14.114 10.289 1.00 0.00 C ATOM 1403 O LYS A 91 1.664 -14.388 11.464 1.00 0.00 O ATOM 1404 CB LYS A 91 2.796 -12.095 9.638 1.00 0.00 C ATOM 1405 CG LYS A 91 1.571 -11.166 9.759 1.00 0.00 C ATOM 1406 CD LYS A 91 1.964 -9.705 10.047 1.00 0.00 C ATOM 1407 CE LYS A 91 0.749 -8.811 10.321 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.029 -9.213 11.555 1.00 0.00 N ATOM 0 H LYS A 91 1.699 -12.891 7.489 1.00 0.00 H new ATOM 0 HA LYS A 91 3.376 -14.162 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.360 -12.050 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.447 -11.712 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.995 -11.208 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.922 -11.528 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.634 -9.675 10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.519 -9.307 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.075 -7.775 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.067 -8.857 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.642 -8.465 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.490 -10.097 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.713 -9.358 12.325 1.00 0.00 H new