USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 171:sc= 0 (180deg=-0.14) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 21 SER OG : rot 113:sc= 0.304 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -18:sc= 0.689 USER MOD Single : A 47 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.35) USER MOD Single : A 61 TYR OH : rot 64:sc= 0.975 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -126:sc= -4.21! (180deg=-8.18!) USER MOD Single : A 72 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-4.6!) USER MOD Single : A 73 SER OG : rot -99:sc= 0.366 USER MOD Single : A 74 HIS : no HE2:sc= 0.661 K(o=0.66,f=-5.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 163:sc=-0.00261 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.661 -2.844 2.388 1.00 0.00 N ATOM 63 CA LEU A 8 12.918 -1.597 2.335 1.00 0.00 C ATOM 64 C LEU A 8 11.729 -1.755 1.385 1.00 0.00 C ATOM 65 O LEU A 8 10.580 -1.589 1.788 1.00 0.00 O ATOM 66 CB LEU A 8 13.845 -0.436 1.972 1.00 0.00 C ATOM 67 CG LEU A 8 14.467 0.319 3.148 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.205 1.570 2.668 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.413 0.646 4.208 1.00 0.00 C ATOM 0 HA LEU A 8 12.511 -1.355 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.650 -0.822 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.284 0.275 1.366 1.00 0.00 H new ATOM 0 HG LEU A 8 15.206 -0.330 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.638 2.088 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.999 1.282 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.505 2.232 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.881 1.183 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.634 1.267 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.972 -0.279 4.580 1.00 0.00 H new ATOM 80 N ARG A 9 12.047 -2.076 0.139 1.00 0.00 N ATOM 81 CA ARG A 9 11.021 -2.260 -0.873 1.00 0.00 C ATOM 82 C ARG A 9 10.197 -3.514 -0.572 1.00 0.00 C ATOM 83 O ARG A 9 9.023 -3.590 -0.930 1.00 0.00 O ATOM 84 CB ARG A 9 11.637 -2.385 -2.267 1.00 0.00 C ATOM 85 CG ARG A 9 10.552 -2.436 -3.344 1.00 0.00 C ATOM 86 CD ARG A 9 10.423 -3.844 -3.928 1.00 0.00 C ATOM 87 NE ARG A 9 11.759 -4.362 -4.299 1.00 0.00 N ATOM 88 CZ ARG A 9 12.030 -5.656 -4.516 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.059 -6.572 -4.399 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.271 -6.035 -4.850 1.00 0.00 N ATOM 0 H ARG A 9 13.002 -2.213 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 9 10.375 -1.383 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.299 -1.539 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.248 -3.286 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.598 -2.126 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.791 -1.729 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.956 -4.507 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.775 -3.825 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 9 12.522 -3.691 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.114 -6.284 -4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.265 -7.557 -4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.010 -5.338 -4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.476 -7.020 -5.015 1.00 0.00 H new ATOM 101 N LYS A 10 10.846 -4.466 0.083 1.00 0.00 N ATOM 102 CA LYS A 10 10.188 -5.712 0.436 1.00 0.00 C ATOM 103 C LYS A 10 9.180 -5.453 1.557 1.00 0.00 C ATOM 104 O LYS A 10 8.109 -6.059 1.587 1.00 0.00 O ATOM 105 CB LYS A 10 11.223 -6.786 0.777 1.00 0.00 C ATOM 106 CG LYS A 10 10.586 -7.930 1.570 1.00 0.00 C ATOM 107 CD LYS A 10 9.346 -8.469 0.855 1.00 0.00 C ATOM 108 CE LYS A 10 8.173 -8.615 1.827 1.00 0.00 C ATOM 109 NZ LYS A 10 7.875 -10.045 2.068 1.00 0.00 N ATOM 0 H LYS A 10 11.820 -4.399 0.378 1.00 0.00 H new ATOM 0 HA LYS A 10 9.627 -6.100 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.663 -7.176 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.033 -6.344 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.311 -8.733 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.313 -7.579 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.069 -7.797 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.573 -9.436 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.411 -8.123 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.292 -8.117 1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.077 -10.127 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.627 -10.504 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.711 -10.510 2.476 1.00 0.00 H new ATOM 119 N MET A 11 9.556 -4.551 2.452 1.00 0.00 N ATOM 120 CA MET A 11 8.699 -4.203 3.572 1.00 0.00 C ATOM 121 C MET A 11 7.416 -3.523 3.089 1.00 0.00 C ATOM 122 O MET A 11 6.317 -4.017 3.334 1.00 0.00 O ATOM 123 CB MET A 11 9.450 -3.264 4.518 1.00 0.00 C ATOM 124 CG MET A 11 9.993 -4.027 5.729 1.00 0.00 C ATOM 125 SD MET A 11 9.858 -3.019 7.195 1.00 0.00 S ATOM 126 CE MET A 11 11.374 -2.085 7.071 1.00 0.00 C ATOM 0 H MET A 11 10.444 -4.050 2.424 1.00 0.00 H new ATOM 0 HA MET A 11 8.428 -5.119 4.096 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.273 -2.787 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.783 -2.469 4.853 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.438 -4.955 5.863 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.035 -4.300 5.560 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.376 -1.293 7.820 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.224 -2.746 7.240 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.449 -1.644 6.077 1.00 0.00 H new ATOM 134 N VAL A 12 7.600 -2.399 2.412 1.00 0.00 N ATOM 135 CA VAL A 12 6.470 -1.646 1.893 1.00 0.00 C ATOM 136 C VAL A 12 5.642 -2.546 0.974 1.00 0.00 C ATOM 137 O VAL A 12 4.420 -2.419 0.913 1.00 0.00 O ATOM 138 CB VAL A 12 6.964 -0.374 1.199 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.256 -0.640 0.423 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.885 0.204 0.283 1.00 0.00 C ATOM 0 H VAL A 12 8.513 -1.992 2.211 1.00 0.00 H new ATOM 0 HA VAL A 12 5.819 -1.325 2.706 1.00 0.00 H new ATOM 0 HB VAL A 12 7.181 0.366 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.586 0.279 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.028 -0.986 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.075 -1.403 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.261 1.107 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.623 -0.530 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.001 0.448 0.872 1.00 0.00 H new ATOM 150 N GLU A 13 6.340 -3.433 0.281 1.00 0.00 N ATOM 151 CA GLU A 13 5.684 -4.353 -0.632 1.00 0.00 C ATOM 152 C GLU A 13 4.473 -4.999 0.044 1.00 0.00 C ATOM 153 O GLU A 13 3.404 -5.101 -0.556 1.00 0.00 O ATOM 154 CB GLU A 13 6.662 -5.417 -1.136 1.00 0.00 C ATOM 155 CG GLU A 13 7.302 -4.989 -2.458 1.00 0.00 C ATOM 156 CD GLU A 13 6.410 -5.359 -3.645 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.249 -5.741 -3.384 1.00 0.00 O ATOM 158 OE2 GLU A 13 6.909 -5.252 -4.786 1.00 0.00 O ATOM 0 H GLU A 13 7.354 -3.534 0.333 1.00 0.00 H new ATOM 0 HA GLU A 13 5.335 -3.788 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.438 -5.586 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.138 -6.363 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.475 -3.913 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.275 -5.468 -2.567 1.00 0.00 H new ATOM 163 N GLU A 14 4.681 -5.418 1.284 1.00 0.00 N ATOM 164 CA GLU A 14 3.619 -6.050 2.048 1.00 0.00 C ATOM 165 C GLU A 14 2.651 -4.996 2.587 1.00 0.00 C ATOM 166 O GLU A 14 1.438 -5.192 2.565 1.00 0.00 O ATOM 167 CB GLU A 14 4.193 -6.900 3.183 1.00 0.00 C ATOM 168 CG GLU A 14 4.259 -6.101 4.487 1.00 0.00 C ATOM 169 CD GLU A 14 5.025 -6.871 5.564 1.00 0.00 C ATOM 170 OE1 GLU A 14 4.555 -7.976 5.913 1.00 0.00 O ATOM 171 OE2 GLU A 14 6.062 -6.339 6.014 1.00 0.00 O ATOM 0 H GLU A 14 5.569 -5.332 1.778 1.00 0.00 H new ATOM 0 HA GLU A 14 3.066 -6.714 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.575 -7.787 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.191 -7.247 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.745 -5.142 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.249 -5.886 4.837 1.00 0.00 H new ATOM 176 N VAL A 15 3.226 -3.899 3.060 1.00 0.00 N ATOM 177 CA VAL A 15 2.429 -2.812 3.604 1.00 0.00 C ATOM 178 C VAL A 15 1.234 -2.551 2.684 1.00 0.00 C ATOM 179 O VAL A 15 0.098 -2.865 3.034 1.00 0.00 O ATOM 180 CB VAL A 15 3.305 -1.575 3.811 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.447 -0.328 4.042 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.287 -1.785 4.966 1.00 0.00 C ATOM 0 H VAL A 15 4.233 -3.740 3.078 1.00 0.00 H new ATOM 0 HA VAL A 15 2.033 -3.082 4.583 1.00 0.00 H new ATOM 0 HB VAL A 15 3.885 -1.420 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.094 0.537 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.806 -0.162 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.829 -0.471 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.898 -0.891 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.733 -1.978 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.931 -2.636 4.746 1.00 0.00 H new ATOM 192 N PHE A 16 1.533 -1.981 1.527 1.00 0.00 N ATOM 193 CA PHE A 16 0.497 -1.674 0.554 1.00 0.00 C ATOM 194 C PHE A 16 -0.463 -2.853 0.386 1.00 0.00 C ATOM 195 O PHE A 16 -1.654 -2.658 0.143 1.00 0.00 O ATOM 196 CB PHE A 16 1.199 -1.409 -0.779 1.00 0.00 C ATOM 197 CG PHE A 16 1.793 -0.004 -0.901 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.106 1.068 -0.426 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.009 0.172 -1.486 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.657 2.372 -0.540 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.560 1.475 -1.600 1.00 0.00 C ATOM 202 CZ PHE A 16 2.872 2.548 -1.124 1.00 0.00 C ATOM 0 H PHE A 16 2.477 -1.723 1.240 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.082 -0.813 0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.995 -2.142 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.487 -1.563 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.141 0.928 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.555 -0.680 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.111 3.224 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.525 1.615 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.291 3.540 -1.210 1.00 0.00 H new ATOM 211 N ASP A 17 0.089 -4.050 0.523 1.00 0.00 N ATOM 212 CA ASP A 17 -0.703 -5.259 0.389 1.00 0.00 C ATOM 213 C ASP A 17 -1.623 -5.399 1.604 1.00 0.00 C ATOM 214 O ASP A 17 -2.845 -5.409 1.464 1.00 0.00 O ATOM 215 CB ASP A 17 0.191 -6.499 0.329 1.00 0.00 C ATOM 216 CG ASP A 17 0.276 -7.169 -1.045 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.384 -6.415 -2.037 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.231 -8.418 -1.071 1.00 0.00 O ATOM 0 H ASP A 17 1.076 -4.207 0.726 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.279 -5.184 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.197 -6.219 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.177 -7.229 1.050 1.00 0.00 H new ATOM 222 N VAL A 18 -1.000 -5.502 2.769 1.00 0.00 N ATOM 223 CA VAL A 18 -1.746 -5.640 4.008 1.00 0.00 C ATOM 224 C VAL A 18 -2.865 -4.597 4.043 1.00 0.00 C ATOM 225 O VAL A 18 -4.033 -4.938 4.223 1.00 0.00 O ATOM 226 CB VAL A 18 -0.799 -5.541 5.205 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.548 -5.101 6.463 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.068 -6.866 5.436 1.00 0.00 C ATOM 0 H VAL A 18 0.014 -5.493 2.881 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.215 -6.623 4.063 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.052 -4.781 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.851 -5.039 7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.000 -4.124 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.328 -5.826 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.599 -6.769 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.796 -7.654 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.514 -7.120 4.550 1.00 0.00 H new ATOM 238 N LEU A 19 -2.467 -3.344 3.870 1.00 0.00 N ATOM 239 CA LEU A 19 -3.422 -2.248 3.879 1.00 0.00 C ATOM 240 C LEU A 19 -4.557 -2.558 2.901 1.00 0.00 C ATOM 241 O LEU A 19 -5.729 -2.508 3.269 1.00 0.00 O ATOM 242 CB LEU A 19 -2.715 -0.921 3.601 1.00 0.00 C ATOM 243 CG LEU A 19 -1.570 -0.559 4.549 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.231 0.930 4.457 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.889 -0.986 5.982 1.00 0.00 C ATOM 0 H LEU A 19 -1.497 -3.064 3.723 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.872 -2.142 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.324 -0.947 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.456 -0.123 3.637 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.683 -1.111 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.414 1.160 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.930 1.172 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.107 1.520 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.059 -0.717 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.794 -0.481 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.042 -2.065 6.015 1.00 0.00 H new ATOM 256 N TYR A 20 -4.169 -2.868 1.673 1.00 0.00 N ATOM 257 CA TYR A 20 -5.139 -3.186 0.639 1.00 0.00 C ATOM 258 C TYR A 20 -6.042 -4.343 1.070 1.00 0.00 C ATOM 259 O TYR A 20 -7.266 -4.231 1.024 1.00 0.00 O ATOM 260 CB TYR A 20 -4.327 -3.617 -0.584 1.00 0.00 C ATOM 261 CG TYR A 20 -5.181 -4.056 -1.775 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.131 -3.200 -2.295 1.00 0.00 C ATOM 263 CD2 TYR A 20 -5.001 -5.307 -2.329 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.935 -3.613 -3.416 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.805 -5.720 -3.451 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.732 -4.853 -3.938 1.00 0.00 C ATOM 267 OH TYR A 20 -7.491 -5.244 -4.997 1.00 0.00 O ATOM 0 H TYR A 20 -3.196 -2.906 1.371 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.777 -2.326 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.688 -2.790 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.669 -4.438 -0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.271 -2.221 -1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.258 -5.976 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.682 -2.954 -3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.674 -6.696 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.236 -6.151 -5.265 1.00 0.00 H new ATOM 276 N SER A 21 -5.403 -5.429 1.480 1.00 0.00 N ATOM 277 CA SER A 21 -6.133 -6.606 1.920 1.00 0.00 C ATOM 278 C SER A 21 -7.070 -6.240 3.073 1.00 0.00 C ATOM 279 O SER A 21 -8.195 -6.732 3.143 1.00 0.00 O ATOM 280 CB SER A 21 -5.176 -7.720 2.347 1.00 0.00 C ATOM 281 OG SER A 21 -5.872 -8.862 2.839 1.00 0.00 O ATOM 0 H SER A 21 -4.388 -5.519 1.517 1.00 0.00 H new ATOM 0 HA SER A 21 -6.725 -6.974 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.556 -8.011 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.504 -7.345 3.119 1.00 0.00 H new ATOM 0 HG SER A 21 -5.745 -9.613 2.223 1.00 0.00 H new ATOM 286 N GLU A 22 -6.570 -5.380 3.949 1.00 0.00 N ATOM 287 CA GLU A 22 -7.349 -4.943 5.095 1.00 0.00 C ATOM 288 C GLU A 22 -8.597 -4.190 4.633 1.00 0.00 C ATOM 289 O GLU A 22 -9.695 -4.438 5.127 1.00 0.00 O ATOM 290 CB GLU A 22 -6.504 -4.080 6.034 1.00 0.00 C ATOM 291 CG GLU A 22 -5.595 -4.948 6.907 1.00 0.00 C ATOM 292 CD GLU A 22 -5.214 -4.218 8.197 1.00 0.00 C ATOM 293 OE1 GLU A 22 -4.641 -3.114 8.076 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.503 -4.782 9.274 1.00 0.00 O ATOM 0 H GLU A 22 -5.636 -4.975 3.888 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.667 -5.825 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.899 -3.386 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.157 -3.479 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.102 -5.882 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.693 -5.209 6.353 1.00 0.00 H new ATOM 299 N ALA A 23 -8.387 -3.283 3.689 1.00 0.00 N ATOM 300 CA ALA A 23 -9.483 -2.492 3.155 1.00 0.00 C ATOM 301 C ALA A 23 -10.412 -3.397 2.345 1.00 0.00 C ATOM 302 O ALA A 23 -11.611 -3.137 2.251 1.00 0.00 O ATOM 303 CB ALA A 23 -8.920 -1.338 2.322 1.00 0.00 C ATOM 0 H ALA A 23 -7.475 -3.079 3.281 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.071 -2.055 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.741 -0.744 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.290 -0.709 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.327 -1.738 1.500 1.00 0.00 H new ATOM 309 N LEU A 24 -9.824 -4.441 1.779 1.00 0.00 N ATOM 310 CA LEU A 24 -10.586 -5.386 0.981 1.00 0.00 C ATOM 311 C LEU A 24 -11.422 -6.272 1.906 1.00 0.00 C ATOM 312 O LEU A 24 -12.464 -6.787 1.502 1.00 0.00 O ATOM 313 CB LEU A 24 -9.657 -6.171 0.050 1.00 0.00 C ATOM 314 CG LEU A 24 -9.630 -5.717 -1.410 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.539 -6.450 -2.192 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.006 -5.875 -2.060 1.00 0.00 C ATOM 0 H LEU A 24 -8.829 -4.653 1.857 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.283 -4.860 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.643 -6.112 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.950 -7.221 0.078 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.384 -4.655 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.541 -6.109 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.568 -6.242 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.729 -7.523 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.958 -5.545 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.306 -6.922 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.735 -5.271 -1.520 1.00 0.00 H new ATOM 327 N GLY A 25 -10.935 -6.423 3.128 1.00 0.00 N ATOM 328 CA GLY A 25 -11.624 -7.238 4.114 1.00 0.00 C ATOM 329 C GLY A 25 -11.567 -8.719 3.737 1.00 0.00 C ATOM 330 O GLY A 25 -12.517 -9.462 3.978 1.00 0.00 O ATOM 0 H GLY A 25 -10.070 -5.994 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.170 -7.091 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.663 -6.919 4.193 1.00 0.00 H new ATOM 334 N ARG A 26 -10.441 -9.106 3.154 1.00 0.00 N ATOM 335 CA ARG A 26 -10.247 -10.485 2.742 1.00 0.00 C ATOM 336 C ARG A 26 -9.657 -11.304 3.891 1.00 0.00 C ATOM 337 O ARG A 26 -9.366 -10.765 4.958 1.00 0.00 O ATOM 338 CB ARG A 26 -9.315 -10.573 1.531 1.00 0.00 C ATOM 339 CG ARG A 26 -9.963 -9.948 0.294 1.00 0.00 C ATOM 340 CD ARG A 26 -10.508 -11.026 -0.643 1.00 0.00 C ATOM 341 NE ARG A 26 -11.985 -10.942 -0.707 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.655 -10.037 -1.434 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.985 -9.133 -2.161 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.994 -10.036 -1.431 1.00 0.00 N ATOM 0 H ARG A 26 -9.654 -8.488 2.958 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.221 -10.888 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.377 -10.063 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.071 -11.616 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.772 -9.284 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.231 -9.337 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.085 -10.901 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.207 -12.012 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.526 -11.615 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.965 -9.133 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.495 -8.444 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.503 -10.724 -0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.505 -9.348 -1.984 1.00 0.00 H new ATOM 355 N ALA A 27 -9.499 -12.595 3.636 1.00 0.00 N ATOM 356 CA ALA A 27 -8.949 -13.494 4.636 1.00 0.00 C ATOM 357 C ALA A 27 -7.430 -13.566 4.472 1.00 0.00 C ATOM 358 O ALA A 27 -6.690 -13.446 5.447 1.00 0.00 O ATOM 359 CB ALA A 27 -9.614 -14.866 4.511 1.00 0.00 C ATOM 0 H ALA A 27 -9.742 -13.040 2.751 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.155 -13.122 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.201 -15.540 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.688 -14.765 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.427 -15.272 3.517 1.00 0.00 H new ATOM 365 N SER A 28 -7.010 -13.760 3.230 1.00 0.00 N ATOM 366 CA SER A 28 -5.592 -13.848 2.925 1.00 0.00 C ATOM 367 C SER A 28 -5.085 -12.505 2.398 1.00 0.00 C ATOM 368 O SER A 28 -5.876 -11.655 1.991 1.00 0.00 O ATOM 369 CB SER A 28 -5.316 -14.957 1.907 1.00 0.00 C ATOM 370 OG SER A 28 -6.016 -16.157 2.222 1.00 0.00 O ATOM 0 H SER A 28 -7.627 -13.859 2.424 1.00 0.00 H new ATOM 0 HA SER A 28 -5.059 -14.094 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.608 -14.617 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.246 -15.160 1.873 1.00 0.00 H new ATOM 0 HG SER A 28 -5.815 -16.840 1.548 1.00 0.00 H new ATOM 375 N VAL A 29 -3.769 -12.354 2.422 1.00 0.00 N ATOM 376 CA VAL A 29 -3.148 -11.128 1.952 1.00 0.00 C ATOM 377 C VAL A 29 -2.960 -11.206 0.435 1.00 0.00 C ATOM 378 O VAL A 29 -2.175 -12.016 -0.056 1.00 0.00 O ATOM 379 CB VAL A 29 -1.838 -10.883 2.704 1.00 0.00 C ATOM 380 CG1 VAL A 29 -1.050 -9.733 2.073 1.00 0.00 C ATOM 381 CG2 VAL A 29 -2.100 -10.620 4.188 1.00 0.00 C ATOM 0 H VAL A 29 -3.116 -13.061 2.760 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.790 -10.272 2.157 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.232 -11.786 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.124 -9.580 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.817 -9.977 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.647 -8.822 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.153 -10.449 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.734 -9.740 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.599 -11.483 4.628 1.00 0.00 H new ATOM 391 N VAL A 30 -3.691 -10.352 -0.265 1.00 0.00 N ATOM 392 CA VAL A 30 -3.616 -10.314 -1.715 1.00 0.00 C ATOM 393 C VAL A 30 -2.655 -9.203 -2.142 1.00 0.00 C ATOM 394 O VAL A 30 -2.425 -8.255 -1.394 1.00 0.00 O ATOM 395 CB VAL A 30 -5.017 -10.153 -2.309 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.749 -11.496 -2.357 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.826 -9.115 -1.530 1.00 0.00 C ATOM 0 H VAL A 30 -4.339 -9.680 0.146 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.221 -11.253 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.909 -9.794 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.742 -11.354 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.186 -12.196 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.841 -11.896 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.818 -9.020 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.921 -9.432 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.317 -8.152 -1.570 1.00 0.00 H new ATOM 407 N PRO A 31 -2.105 -9.361 -3.376 1.00 0.00 N ATOM 408 CA PRO A 31 -1.174 -8.383 -3.911 1.00 0.00 C ATOM 409 C PRO A 31 -1.906 -7.118 -4.363 1.00 0.00 C ATOM 410 O PRO A 31 -3.135 -7.092 -4.411 1.00 0.00 O ATOM 411 CB PRO A 31 -0.465 -9.097 -5.051 1.00 0.00 C ATOM 412 CG PRO A 31 -1.344 -10.283 -5.411 1.00 0.00 C ATOM 413 CD PRO A 31 -2.354 -10.472 -4.290 1.00 0.00 C ATOM 0 HA PRO A 31 -0.456 -8.036 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.335 -8.434 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.529 -9.425 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.854 -10.107 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.740 -11.182 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.376 -10.451 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.218 -11.432 -3.792 1.00 0.00 H new ATOM 418 N LEU A 32 -1.122 -6.099 -4.682 1.00 0.00 N ATOM 419 CA LEU A 32 -1.681 -4.834 -5.127 1.00 0.00 C ATOM 420 C LEU A 32 -1.309 -4.606 -6.594 1.00 0.00 C ATOM 421 O LEU A 32 -0.184 -4.217 -6.900 1.00 0.00 O ATOM 422 CB LEU A 32 -1.245 -3.699 -4.199 1.00 0.00 C ATOM 423 CG LEU A 32 -1.447 -2.280 -4.734 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.797 -2.148 -5.440 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.279 -1.245 -3.620 1.00 0.00 C ATOM 0 H LEU A 32 -0.103 -6.124 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.769 -4.858 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.791 -3.793 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.188 -3.832 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.674 -2.082 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.916 -1.130 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.840 -2.846 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.599 -2.374 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.428 -0.245 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.014 -1.431 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.276 -1.321 -3.201 1.00 0.00 H new ATOM 436 N PRO A 33 -2.304 -4.865 -7.486 1.00 0.00 N ATOM 437 CA PRO A 33 -2.093 -4.692 -8.913 1.00 0.00 C ATOM 438 C PRO A 33 -2.092 -3.209 -9.291 1.00 0.00 C ATOM 439 O PRO A 33 -3.088 -2.693 -9.796 1.00 0.00 O ATOM 440 CB PRO A 33 -3.217 -5.473 -9.574 1.00 0.00 C ATOM 441 CG PRO A 33 -4.277 -5.666 -8.502 1.00 0.00 C ATOM 442 CD PRO A 33 -3.649 -5.327 -7.159 1.00 0.00 C ATOM 0 HA PRO A 33 -1.122 -5.061 -9.243 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.620 -4.930 -10.429 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.859 -6.433 -9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.136 -5.024 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.640 -6.694 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.217 -4.556 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.620 -6.198 -6.504 1.00 0.00 H new ATOM 447 N TYR A 34 -0.964 -2.566 -9.032 1.00 0.00 N ATOM 448 CA TYR A 34 -0.820 -1.153 -9.339 1.00 0.00 C ATOM 449 C TYR A 34 -1.140 -0.876 -10.809 1.00 0.00 C ATOM 450 O TYR A 34 -1.998 -0.050 -11.117 1.00 0.00 O ATOM 451 CB TYR A 34 0.647 -0.810 -9.076 1.00 0.00 C ATOM 452 CG TYR A 34 1.115 -1.129 -7.655 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.968 -0.191 -6.653 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.685 -2.354 -7.374 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.408 -0.490 -5.315 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.125 -2.654 -6.036 1.00 0.00 C ATOM 457 CZ TYR A 34 1.965 -1.707 -5.073 1.00 0.00 C ATOM 458 OH TYR A 34 2.381 -1.990 -3.809 1.00 0.00 O ATOM 0 H TYR A 34 -0.140 -2.997 -8.613 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.503 -0.558 -8.733 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.270 -1.357 -9.784 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.802 0.252 -9.269 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.523 0.768 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.801 -3.088 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.298 0.235 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.572 -3.609 -5.803 1.00 0.00 H new ATOM 0 HH TYR A 34 2.476 -1.157 -3.302 1.00 0.00 H new ATOM 467 N GLU A 35 -0.434 -1.583 -11.679 1.00 0.00 N ATOM 468 CA GLU A 35 -0.631 -1.424 -13.110 1.00 0.00 C ATOM 469 C GLU A 35 -2.116 -1.227 -13.422 1.00 0.00 C ATOM 470 O GLU A 35 -2.468 -0.548 -14.385 1.00 0.00 O ATOM 471 CB GLU A 35 -0.064 -2.619 -13.878 1.00 0.00 C ATOM 472 CG GLU A 35 -1.059 -3.781 -13.899 1.00 0.00 C ATOM 473 CD GLU A 35 -0.498 -4.969 -14.684 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.246 -4.779 -15.894 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.336 -6.038 -14.058 1.00 0.00 O ATOM 0 H GLU A 35 0.276 -2.268 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.090 -0.535 -13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.173 -2.320 -14.899 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.869 -2.943 -13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.285 -4.089 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.997 -3.454 -14.348 1.00 0.00 H new ATOM 480 N ARG A 36 -2.949 -1.834 -12.588 1.00 0.00 N ATOM 481 CA ARG A 36 -4.387 -1.734 -12.763 1.00 0.00 C ATOM 482 C ARG A 36 -4.940 -0.557 -11.955 1.00 0.00 C ATOM 483 O ARG A 36 -5.425 0.418 -12.527 1.00 0.00 O ATOM 484 CB ARG A 36 -5.087 -3.021 -12.319 1.00 0.00 C ATOM 485 CG ARG A 36 -5.343 -3.945 -13.511 1.00 0.00 C ATOM 486 CD ARG A 36 -6.758 -3.751 -14.061 1.00 0.00 C ATOM 487 NE ARG A 36 -7.226 -4.998 -14.705 1.00 0.00 N ATOM 488 CZ ARG A 36 -8.504 -5.246 -15.024 1.00 0.00 C ATOM 489 NH1 ARG A 36 -9.449 -4.333 -14.759 1.00 0.00 N ATOM 490 NH2 ARG A 36 -8.838 -6.405 -15.607 1.00 0.00 N ATOM 0 H ARG A 36 -2.654 -2.396 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.581 -1.575 -13.824 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.474 -3.536 -11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.032 -2.777 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.613 -3.743 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.206 -4.983 -13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.436 -3.472 -13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.768 -2.934 -14.782 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.532 -5.714 -14.920 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.195 -3.450 -14.315 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.422 -4.521 -15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.119 -7.100 -15.809 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.811 -6.592 -15.849 1.00 0.00 H new ATOM 501 N LEU A 37 -4.848 -0.688 -10.640 1.00 0.00 N ATOM 502 CA LEU A 37 -5.333 0.352 -9.750 1.00 0.00 C ATOM 503 C LEU A 37 -4.895 1.718 -10.282 1.00 0.00 C ATOM 504 O LEU A 37 -5.648 2.688 -10.205 1.00 0.00 O ATOM 505 CB LEU A 37 -4.883 0.079 -8.312 1.00 0.00 C ATOM 506 CG LEU A 37 -5.166 -1.326 -7.777 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.330 -1.310 -6.256 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.376 -1.947 -8.478 1.00 0.00 C ATOM 0 H LEU A 37 -4.445 -1.498 -10.170 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.423 0.354 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.810 0.262 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.370 0.801 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.306 -1.957 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.530 -2.321 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.415 -0.938 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.162 -0.659 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.555 -2.945 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.255 -1.325 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.182 -2.014 -9.548 1.00 0.00 H new ATOM 519 N LEU A 38 -3.680 1.751 -10.809 1.00 0.00 N ATOM 520 CA LEU A 38 -3.133 2.982 -11.353 1.00 0.00 C ATOM 521 C LEU A 38 -4.061 3.504 -12.451 1.00 0.00 C ATOM 522 O LEU A 38 -4.369 4.694 -12.495 1.00 0.00 O ATOM 523 CB LEU A 38 -1.691 2.768 -11.817 1.00 0.00 C ATOM 524 CG LEU A 38 -0.674 2.449 -10.720 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.624 1.900 -11.316 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.424 3.670 -9.832 1.00 0.00 C ATOM 0 H LEU A 38 -3.059 0.944 -10.871 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.085 3.752 -10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.681 1.954 -12.542 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.362 3.666 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.092 1.668 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.329 1.682 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.412 0.986 -11.871 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.057 2.640 -11.988 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.303 3.416 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.038 4.489 -10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.359 3.976 -9.363 1.00 0.00 H new ATOM 537 N ARG A 39 -4.481 2.589 -13.313 1.00 0.00 N ATOM 538 CA ARG A 39 -5.367 2.943 -14.408 1.00 0.00 C ATOM 539 C ARG A 39 -6.584 3.707 -13.881 1.00 0.00 C ATOM 540 O ARG A 39 -6.996 4.706 -14.468 1.00 0.00 O ATOM 541 CB ARG A 39 -5.842 1.697 -15.158 1.00 0.00 C ATOM 542 CG ARG A 39 -6.827 2.066 -16.268 1.00 0.00 C ATOM 543 CD ARG A 39 -6.876 0.978 -17.343 1.00 0.00 C ATOM 544 NE ARG A 39 -7.863 1.339 -18.385 1.00 0.00 N ATOM 545 CZ ARG A 39 -9.191 1.263 -18.220 1.00 0.00 C ATOM 546 NH1 ARG A 39 -9.697 0.840 -17.054 1.00 0.00 N ATOM 547 NH2 ARG A 39 -10.011 1.611 -19.220 1.00 0.00 N ATOM 0 H ARG A 39 -4.224 1.603 -13.275 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.806 3.576 -15.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.985 1.177 -15.586 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.317 1.007 -14.460 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.821 2.208 -15.844 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.534 3.014 -16.719 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.890 0.854 -17.792 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.144 0.022 -16.893 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.511 1.666 -19.285 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.072 0.576 -16.293 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.707 0.782 -16.928 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.625 1.934 -20.107 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.022 1.553 -19.094 1.00 0.00 H new ATOM 558 N GLU A 40 -7.124 3.207 -12.780 1.00 0.00 N ATOM 559 CA GLU A 40 -8.285 3.830 -12.167 1.00 0.00 C ATOM 560 C GLU A 40 -7.960 4.268 -10.737 1.00 0.00 C ATOM 561 O GLU A 40 -7.899 3.439 -9.830 1.00 0.00 O ATOM 562 CB GLU A 40 -9.490 2.888 -12.191 1.00 0.00 C ATOM 563 CG GLU A 40 -9.041 1.425 -12.200 1.00 0.00 C ATOM 564 CD GLU A 40 -10.236 0.486 -12.382 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.337 0.876 -11.935 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.022 -0.598 -12.965 1.00 0.00 O ATOM 0 H GLU A 40 -6.779 2.378 -12.296 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.546 4.715 -12.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.119 3.074 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.098 3.091 -13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.323 1.266 -13.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.530 1.192 -11.266 1.00 0.00 H new ATOM 571 N PRO A 41 -7.754 5.602 -10.577 1.00 0.00 N ATOM 572 CA PRO A 41 -7.437 6.159 -9.273 1.00 0.00 C ATOM 573 C PRO A 41 -8.679 6.209 -8.381 1.00 0.00 C ATOM 574 O PRO A 41 -8.568 6.206 -7.155 1.00 0.00 O ATOM 575 CB PRO A 41 -6.858 7.535 -9.563 1.00 0.00 C ATOM 576 CG PRO A 41 -7.300 7.883 -10.975 1.00 0.00 C ATOM 577 CD PRO A 41 -7.817 6.613 -11.629 1.00 0.00 C ATOM 0 HA PRO A 41 -6.724 5.550 -8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.223 8.271 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.771 7.526 -9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.079 8.645 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.467 8.294 -11.545 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.836 6.742 -11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.205 6.331 -12.486 1.00 0.00 H new ATOM 582 N GLY A 42 -9.833 6.254 -9.031 1.00 0.00 N ATOM 583 CA GLY A 42 -11.094 6.304 -8.311 1.00 0.00 C ATOM 584 C GLY A 42 -11.435 4.942 -7.705 1.00 0.00 C ATOM 585 O GLY A 42 -12.038 4.867 -6.636 1.00 0.00 O ATOM 0 H GLY A 42 -9.921 6.257 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.036 7.053 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.891 6.615 -8.987 1.00 0.00 H new ATOM 589 N LEU A 43 -11.034 3.897 -8.415 1.00 0.00 N ATOM 590 CA LEU A 43 -11.289 2.541 -7.960 1.00 0.00 C ATOM 591 C LEU A 43 -10.677 2.351 -6.570 1.00 0.00 C ATOM 592 O LEU A 43 -11.293 1.743 -5.695 1.00 0.00 O ATOM 593 CB LEU A 43 -10.793 1.528 -8.994 1.00 0.00 C ATOM 594 CG LEU A 43 -11.270 0.086 -8.801 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.715 -0.081 -9.273 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.324 -0.900 -9.489 1.00 0.00 C ATOM 0 H LEU A 43 -10.534 3.962 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.360 2.366 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.106 1.864 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.703 1.534 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.252 -0.141 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.029 -1.114 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.364 0.581 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.783 0.171 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.685 -1.917 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.287 -0.684 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.325 -0.802 -9.064 1.00 0.00 H new ATOM 607 N LEU A 44 -9.473 2.879 -6.411 1.00 0.00 N ATOM 608 CA LEU A 44 -8.771 2.776 -5.142 1.00 0.00 C ATOM 609 C LEU A 44 -7.814 3.959 -4.995 1.00 0.00 C ATOM 610 O LEU A 44 -6.828 4.060 -5.724 1.00 0.00 O ATOM 611 CB LEU A 44 -8.087 1.412 -5.019 1.00 0.00 C ATOM 612 CG LEU A 44 -7.051 1.280 -3.901 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.558 1.919 -2.606 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.645 -0.181 -3.700 1.00 0.00 C ATOM 0 H LEU A 44 -8.965 3.380 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.475 2.831 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.856 0.655 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.600 1.185 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.155 1.824 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.803 1.811 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.756 2.977 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.477 1.424 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.908 -0.247 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.523 -0.769 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.214 -0.569 -4.623 1.00 0.00 H new ATOM 625 N ALA A 45 -8.137 4.826 -4.047 1.00 0.00 N ATOM 626 CA ALA A 45 -7.317 6.000 -3.794 1.00 0.00 C ATOM 627 C ALA A 45 -6.455 5.757 -2.554 1.00 0.00 C ATOM 628 O ALA A 45 -6.977 5.471 -1.477 1.00 0.00 O ATOM 629 CB ALA A 45 -8.217 7.229 -3.649 1.00 0.00 C ATOM 0 H ALA A 45 -8.955 4.740 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.644 6.186 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.603 8.109 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.785 7.374 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.905 7.080 -2.817 1.00 0.00 H new ATOM 635 N VAL A 46 -5.150 5.879 -2.746 1.00 0.00 N ATOM 636 CA VAL A 46 -4.211 5.678 -1.656 1.00 0.00 C ATOM 637 C VAL A 46 -4.035 6.990 -0.890 1.00 0.00 C ATOM 638 O VAL A 46 -3.534 7.970 -1.439 1.00 0.00 O ATOM 639 CB VAL A 46 -2.893 5.120 -2.198 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.920 4.811 -1.058 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.136 3.882 -3.063 1.00 0.00 C ATOM 0 H VAL A 46 -4.721 6.115 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.596 4.941 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.439 5.884 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.991 4.416 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.711 5.724 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.364 4.073 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.183 3.506 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.622 3.111 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.776 4.146 -3.905 1.00 0.00 H new ATOM 651 N GLN A 47 -4.457 6.967 0.366 1.00 0.00 N ATOM 652 CA GLN A 47 -4.352 8.142 1.213 1.00 0.00 C ATOM 653 C GLN A 47 -3.319 7.911 2.317 1.00 0.00 C ATOM 654 O GLN A 47 -2.899 6.779 2.551 1.00 0.00 O ATOM 655 CB GLN A 47 -5.713 8.515 1.805 1.00 0.00 C ATOM 656 CG GLN A 47 -6.519 9.372 0.828 1.00 0.00 C ATOM 657 CD GLN A 47 -5.871 10.746 0.639 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.655 11.493 1.578 1.00 0.00 O ATOM 659 NE2 GLN A 47 -5.573 11.034 -0.625 1.00 0.00 N ATOM 0 H GLN A 47 -4.873 6.152 0.817 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.018 8.979 0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.270 7.609 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.571 9.058 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.590 8.864 -0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.536 9.494 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.781 10.362 -1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.136 11.927 -0.855 1.00 0.00 H new ATOM 666 N GLY A 48 -2.939 9.002 2.965 1.00 0.00 N ATOM 667 CA GLY A 48 -1.962 8.932 4.039 1.00 0.00 C ATOM 668 C GLY A 48 -0.579 8.560 3.499 1.00 0.00 C ATOM 669 O GLY A 48 0.218 7.939 4.201 1.00 0.00 O ATOM 0 H GLY A 48 -3.290 9.939 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.910 9.893 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.279 8.194 4.776 1.00 0.00 H new ATOM 673 N LEU A 49 -0.338 8.953 2.257 1.00 0.00 N ATOM 674 CA LEU A 49 0.934 8.667 1.616 1.00 0.00 C ATOM 675 C LEU A 49 1.997 9.629 2.151 1.00 0.00 C ATOM 676 O LEU A 49 1.671 10.628 2.790 1.00 0.00 O ATOM 677 CB LEU A 49 0.786 8.701 0.093 1.00 0.00 C ATOM 678 CG LEU A 49 0.419 7.373 -0.574 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.222 7.606 -1.944 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.634 6.448 -0.659 1.00 0.00 C ATOM 0 H LEU A 49 -1.002 9.467 1.678 1.00 0.00 H new ATOM 0 HA LEU A 49 1.265 7.657 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.023 9.436 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.724 9.053 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.323 6.872 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.473 6.647 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.129 8.199 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.478 8.138 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.346 5.512 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.417 6.929 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.006 6.243 0.345 1.00 0.00 H new ATOM 691 N PRO A 50 3.281 9.284 1.863 1.00 0.00 N ATOM 692 CA PRO A 50 4.394 10.106 2.308 1.00 0.00 C ATOM 693 C PRO A 50 4.510 11.377 1.465 1.00 0.00 C ATOM 694 O PRO A 50 5.038 11.343 0.354 1.00 0.00 O ATOM 695 CB PRO A 50 5.614 9.206 2.198 1.00 0.00 C ATOM 696 CG PRO A 50 5.217 8.076 1.263 1.00 0.00 C ATOM 697 CD PRO A 50 3.706 8.108 1.109 1.00 0.00 C ATOM 0 HA PRO A 50 4.270 10.465 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.470 9.755 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.904 8.820 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.702 8.194 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.539 7.116 1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.416 8.184 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.249 7.200 1.501 1.00 0.00 H new ATOM 702 N GLU A 51 4.007 12.468 2.024 1.00 0.00 N ATOM 703 CA GLU A 51 4.048 13.747 1.337 1.00 0.00 C ATOM 704 C GLU A 51 5.291 13.834 0.450 1.00 0.00 C ATOM 705 O GLU A 51 6.341 13.294 0.792 1.00 0.00 O ATOM 706 CB GLU A 51 4.003 14.907 2.334 1.00 0.00 C ATOM 707 CG GLU A 51 2.627 15.007 2.996 1.00 0.00 C ATOM 708 CD GLU A 51 2.642 16.025 4.138 1.00 0.00 C ATOM 709 OE1 GLU A 51 3.379 15.772 5.116 1.00 0.00 O ATOM 710 OE2 GLU A 51 1.916 17.035 4.009 1.00 0.00 O ATOM 0 H GLU A 51 3.569 12.492 2.945 1.00 0.00 H new ATOM 0 HA GLU A 51 3.166 13.824 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.768 14.765 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.233 15.841 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.883 15.298 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.331 14.030 3.378 1.00 0.00 H new ATOM 715 N GLY A 52 5.131 14.520 -0.673 1.00 0.00 N ATOM 716 CA GLY A 52 6.228 14.684 -1.611 1.00 0.00 C ATOM 717 C GLY A 52 6.516 13.378 -2.353 1.00 0.00 C ATOM 718 O GLY A 52 7.674 13.009 -2.541 1.00 0.00 O ATOM 0 H GLY A 52 4.259 14.968 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.983 15.467 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.122 15.008 -1.078 1.00 0.00 H new ATOM 722 N LEU A 53 5.443 12.712 -2.755 1.00 0.00 N ATOM 723 CA LEU A 53 5.566 11.456 -3.471 1.00 0.00 C ATOM 724 C LEU A 53 4.318 11.237 -4.329 1.00 0.00 C ATOM 725 O LEU A 53 3.499 12.142 -4.482 1.00 0.00 O ATOM 726 CB LEU A 53 5.851 10.309 -2.498 1.00 0.00 C ATOM 727 CG LEU A 53 7.326 10.008 -2.229 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.483 9.023 -1.070 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.025 9.516 -3.499 1.00 0.00 C ATOM 0 H LEU A 53 4.484 13.020 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 53 6.419 11.488 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.368 10.537 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.381 9.405 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 53 7.815 10.935 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.542 8.827 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.044 9.449 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.976 8.090 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.073 9.309 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.541 8.605 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.960 10.283 -4.271 1.00 0.00 H new ATOM 740 N ALA A 54 4.212 10.031 -4.867 1.00 0.00 N ATOM 741 CA ALA A 54 3.077 9.683 -5.705 1.00 0.00 C ATOM 742 C ALA A 54 2.829 8.176 -5.620 1.00 0.00 C ATOM 743 O ALA A 54 3.773 7.389 -5.570 1.00 0.00 O ATOM 744 CB ALA A 54 3.339 10.150 -7.139 1.00 0.00 C ATOM 0 H ALA A 54 4.893 9.283 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 54 2.175 10.186 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.488 9.889 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.480 11.231 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.236 9.663 -7.522 1.00 0.00 H new ATOM 750 N PHE A 55 1.553 7.819 -5.605 1.00 0.00 N ATOM 751 CA PHE A 55 1.168 6.420 -5.527 1.00 0.00 C ATOM 752 C PHE A 55 1.702 5.635 -6.726 1.00 0.00 C ATOM 753 O PHE A 55 1.308 5.889 -7.864 1.00 0.00 O ATOM 754 CB PHE A 55 -0.361 6.375 -5.543 1.00 0.00 C ATOM 755 CG PHE A 55 -0.940 4.976 -5.766 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.489 3.927 -5.026 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.906 4.781 -6.703 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.027 2.630 -5.232 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.443 3.483 -6.910 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.992 2.435 -6.171 1.00 0.00 C ATOM 0 H PHE A 55 0.773 8.474 -5.646 1.00 0.00 H new ATOM 0 HA PHE A 55 1.579 5.972 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.736 6.766 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.726 7.037 -6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.278 4.081 -4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.265 5.614 -7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.670 1.798 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.210 3.328 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.400 1.448 -6.329 1.00 0.00 H new ATOM 769 N ARG A 56 2.592 4.699 -6.432 1.00 0.00 N ATOM 770 CA ARG A 56 3.185 3.876 -7.473 1.00 0.00 C ATOM 771 C ARG A 56 3.847 2.641 -6.860 1.00 0.00 C ATOM 772 O ARG A 56 4.016 2.561 -5.644 1.00 0.00 O ATOM 773 CB ARG A 56 4.228 4.663 -8.270 1.00 0.00 C ATOM 774 CG ARG A 56 4.808 5.806 -7.435 1.00 0.00 C ATOM 775 CD ARG A 56 6.276 6.052 -7.789 1.00 0.00 C ATOM 776 NE ARG A 56 6.372 6.776 -9.077 1.00 0.00 N ATOM 777 CZ ARG A 56 7.508 6.929 -9.771 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.651 6.409 -9.305 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.500 7.601 -10.929 1.00 0.00 N ATOM 0 H ARG A 56 2.917 4.492 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 56 2.386 3.567 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.030 3.995 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.772 5.064 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.232 6.715 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.721 5.568 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.757 6.631 -7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.807 5.102 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 56 5.519 7.184 -9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.656 5.897 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.516 6.525 -9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.629 7.997 -11.283 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.365 7.717 -11.457 1.00 0.00 H new ATOM 790 N ARG A 57 4.205 1.707 -7.730 1.00 0.00 N ATOM 791 CA ARG A 57 4.845 0.480 -7.290 1.00 0.00 C ATOM 792 C ARG A 57 5.922 0.786 -6.248 1.00 0.00 C ATOM 793 O ARG A 57 6.514 1.864 -6.261 1.00 0.00 O ATOM 794 CB ARG A 57 5.481 -0.262 -8.466 1.00 0.00 C ATOM 795 CG ARG A 57 4.762 -1.587 -8.732 1.00 0.00 C ATOM 796 CD ARG A 57 4.896 -1.999 -10.199 1.00 0.00 C ATOM 797 NE ARG A 57 4.796 -3.470 -10.323 1.00 0.00 N ATOM 798 CZ ARG A 57 4.759 -4.125 -11.492 1.00 0.00 C ATOM 799 NH1 ARG A 57 4.813 -3.443 -12.644 1.00 0.00 N ATOM 800 NH2 ARG A 57 4.667 -5.462 -11.509 1.00 0.00 N ATOM 0 H ARG A 57 4.063 1.776 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 57 4.076 -0.153 -6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.442 0.363 -9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.533 -0.451 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.178 -2.365 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.708 -1.491 -8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.116 -1.522 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.852 -1.657 -10.596 1.00 0.00 H new ATOM 0 HE ARG A 57 4.752 -4.020 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.882 -2.425 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.785 -3.941 -13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.625 -5.982 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.639 -5.960 -12.399 1.00 0.00 H new ATOM 811 N PRO A 58 6.148 -0.206 -5.345 1.00 0.00 N ATOM 812 CA PRO A 58 7.143 -0.052 -4.298 1.00 0.00 C ATOM 813 C PRO A 58 8.559 -0.194 -4.861 1.00 0.00 C ATOM 814 O PRO A 58 9.530 0.198 -4.216 1.00 0.00 O ATOM 815 CB PRO A 58 6.803 -1.120 -3.271 1.00 0.00 C ATOM 816 CG PRO A 58 5.924 -2.128 -3.995 1.00 0.00 C ATOM 817 CD PRO A 58 5.465 -1.495 -5.299 1.00 0.00 C ATOM 0 HA PRO A 58 7.125 0.939 -3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.706 -1.594 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.281 -0.689 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.478 -3.046 -4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.066 -2.398 -3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.731 -2.115 -6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.382 -1.371 -5.319 1.00 0.00 H new ATOM 822 N ALA A 59 8.631 -0.756 -6.059 1.00 0.00 N ATOM 823 CA ALA A 59 9.911 -0.955 -6.717 1.00 0.00 C ATOM 824 C ALA A 59 10.245 0.280 -7.557 1.00 0.00 C ATOM 825 O ALA A 59 11.398 0.485 -7.936 1.00 0.00 O ATOM 826 CB ALA A 59 9.862 -2.233 -7.555 1.00 0.00 C ATOM 0 H ALA A 59 7.823 -1.080 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 59 10.705 -1.079 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.823 -2.382 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.651 -3.084 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.078 -2.145 -8.307 1.00 0.00 H new ATOM 832 N GLU A 60 9.216 1.071 -7.823 1.00 0.00 N ATOM 833 CA GLU A 60 9.386 2.280 -8.612 1.00 0.00 C ATOM 834 C GLU A 60 9.759 3.456 -7.706 1.00 0.00 C ATOM 835 O GLU A 60 10.260 4.474 -8.181 1.00 0.00 O ATOM 836 CB GLU A 60 8.125 2.589 -9.420 1.00 0.00 C ATOM 837 CG GLU A 60 7.928 1.568 -10.543 1.00 0.00 C ATOM 838 CD GLU A 60 8.007 2.241 -11.915 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.123 3.080 -12.187 1.00 0.00 O ATOM 840 OE2 GLU A 60 8.950 1.898 -12.661 1.00 0.00 O ATOM 0 H GLU A 60 8.262 0.899 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 60 10.200 2.118 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.256 2.582 -8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.197 3.591 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.689 0.791 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.961 1.079 -10.429 1.00 0.00 H new ATOM 845 N TYR A 61 9.500 3.276 -6.420 1.00 0.00 N ATOM 846 CA TYR A 61 9.802 4.310 -5.444 1.00 0.00 C ATOM 847 C TYR A 61 11.310 4.413 -5.204 1.00 0.00 C ATOM 848 O TYR A 61 12.068 3.528 -5.599 1.00 0.00 O ATOM 849 CB TYR A 61 9.120 3.876 -4.146 1.00 0.00 C ATOM 850 CG TYR A 61 7.730 4.483 -3.940 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.495 5.800 -4.282 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.712 3.715 -3.413 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.188 6.371 -4.089 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.405 4.286 -3.220 1.00 0.00 C ATOM 855 CZ TYR A 61 5.207 5.586 -3.568 1.00 0.00 C ATOM 856 OH TYR A 61 3.971 6.126 -3.385 1.00 0.00 O ATOM 0 H TYR A 61 9.084 2.430 -6.030 1.00 0.00 H new ATOM 0 HA TYR A 61 9.455 5.282 -5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.036 2.789 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.755 4.153 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.292 6.401 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.896 2.685 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.991 7.400 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.600 3.696 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 61 3.590 6.373 -4.253 1.00 0.00 H new ATOM 865 N ASP A 62 11.701 5.501 -4.557 1.00 0.00 N ATOM 866 CA ASP A 62 13.105 5.731 -4.260 1.00 0.00 C ATOM 867 C ASP A 62 13.472 5.006 -2.964 1.00 0.00 C ATOM 868 O ASP A 62 12.633 4.337 -2.363 1.00 0.00 O ATOM 869 CB ASP A 62 13.389 7.222 -4.064 1.00 0.00 C ATOM 870 CG ASP A 62 12.256 8.157 -4.491 1.00 0.00 C ATOM 871 OD1 ASP A 62 12.235 8.513 -5.689 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.437 8.496 -3.609 1.00 0.00 O ATOM 0 H ASP A 62 11.070 6.233 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 62 13.693 5.359 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.609 7.399 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.286 7.483 -4.626 1.00 0.00 H new ATOM 876 N PRO A 63 14.761 5.168 -2.560 1.00 0.00 N ATOM 877 CA PRO A 63 15.250 4.537 -1.346 1.00 0.00 C ATOM 878 C PRO A 63 14.733 5.263 -0.104 1.00 0.00 C ATOM 879 O PRO A 63 14.273 4.630 0.845 1.00 0.00 O ATOM 880 CB PRO A 63 16.765 4.571 -1.467 1.00 0.00 C ATOM 881 CG PRO A 63 17.075 5.629 -2.515 1.00 0.00 C ATOM 882 CD PRO A 63 15.783 5.954 -3.246 1.00 0.00 C ATOM 0 HA PRO A 63 14.896 3.512 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.228 4.820 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.155 3.598 -1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.483 6.524 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.828 5.265 -3.214 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.560 7.020 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.847 5.686 -4.301 1.00 0.00 H new ATOM 887 N LYS A 64 14.826 6.585 -0.148 1.00 0.00 N ATOM 888 CA LYS A 64 14.373 7.404 0.963 1.00 0.00 C ATOM 889 C LYS A 64 12.844 7.374 1.024 1.00 0.00 C ATOM 890 O LYS A 64 12.258 7.613 2.078 1.00 0.00 O ATOM 891 CB LYS A 64 14.956 8.815 0.860 1.00 0.00 C ATOM 892 CG LYS A 64 16.384 8.860 1.407 1.00 0.00 C ATOM 893 CD LYS A 64 17.396 8.468 0.330 1.00 0.00 C ATOM 894 CE LYS A 64 18.647 9.346 0.406 1.00 0.00 C ATOM 895 NZ LYS A 64 18.502 10.535 -0.463 1.00 0.00 N ATOM 0 H LYS A 64 15.208 7.108 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 64 14.738 7.000 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.951 9.139 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.328 9.513 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.606 9.863 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.473 8.184 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.674 7.421 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.939 8.564 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.816 9.660 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.521 8.770 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.360 11.119 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.364 10.230 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.680 11.092 -0.154 1.00 0.00 H new ATOM 905 N ALA A 65 12.244 7.077 -0.118 1.00 0.00 N ATOM 906 CA ALA A 65 10.796 7.012 -0.208 1.00 0.00 C ATOM 907 C ALA A 65 10.288 5.845 0.642 1.00 0.00 C ATOM 908 O ALA A 65 9.451 6.032 1.522 1.00 0.00 O ATOM 909 CB ALA A 65 10.379 6.889 -1.676 1.00 0.00 C ATOM 0 H ALA A 65 12.735 6.878 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 65 10.347 7.925 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.292 6.840 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.738 7.756 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.810 5.983 -2.102 1.00 0.00 H new ATOM 915 N LEU A 66 10.817 4.667 0.347 1.00 0.00 N ATOM 916 CA LEU A 66 10.429 3.469 1.073 1.00 0.00 C ATOM 917 C LEU A 66 10.565 3.723 2.575 1.00 0.00 C ATOM 918 O LEU A 66 9.691 3.343 3.354 1.00 0.00 O ATOM 919 CB LEU A 66 11.227 2.261 0.579 1.00 0.00 C ATOM 920 CG LEU A 66 11.111 1.945 -0.913 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.122 0.874 -1.328 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.679 1.554 -1.282 1.00 0.00 C ATOM 0 H LEU A 66 11.511 4.516 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 66 9.383 3.230 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.279 2.424 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.907 1.384 1.142 1.00 0.00 H new ATOM 0 HG LEU A 66 11.352 2.849 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.018 0.669 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.132 1.229 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.937 -0.039 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.625 1.335 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.385 0.671 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.005 2.377 -1.046 1.00 0.00 H new ATOM 933 N MET A 67 11.667 4.362 2.938 1.00 0.00 N ATOM 934 CA MET A 67 11.928 4.672 4.334 1.00 0.00 C ATOM 935 C MET A 67 10.896 5.662 4.879 1.00 0.00 C ATOM 936 O MET A 67 10.586 5.648 6.068 1.00 0.00 O ATOM 937 CB MET A 67 13.331 5.268 4.472 1.00 0.00 C ATOM 938 CG MET A 67 14.384 4.166 4.596 1.00 0.00 C ATOM 939 SD MET A 67 16.021 4.872 4.506 1.00 0.00 S ATOM 940 CE MET A 67 16.356 4.659 2.766 1.00 0.00 C ATOM 0 H MET A 67 12.390 4.674 2.290 1.00 0.00 H new ATOM 0 HA MET A 67 11.858 3.749 4.910 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.552 5.892 3.606 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.371 5.915 5.349 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.259 3.637 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.251 3.433 3.800 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.297 4.124 2.640 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.549 4.087 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.426 5.635 2.287 1.00 0.00 H new ATOM 948 N ALA A 68 10.397 6.499 3.982 1.00 0.00 N ATOM 949 CA ALA A 68 9.407 7.494 4.358 1.00 0.00 C ATOM 950 C ALA A 68 8.018 6.850 4.366 1.00 0.00 C ATOM 951 O ALA A 68 7.131 7.291 5.094 1.00 0.00 O ATOM 952 CB ALA A 68 9.490 8.685 3.400 1.00 0.00 C ATOM 0 H ALA A 68 10.659 6.509 2.996 1.00 0.00 H new ATOM 0 HA ALA A 68 9.603 7.868 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.747 9.431 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.486 9.126 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.296 8.347 2.382 1.00 0.00 H new ATOM 958 N ILE A 69 7.876 5.818 3.549 1.00 0.00 N ATOM 959 CA ILE A 69 6.611 5.108 3.453 1.00 0.00 C ATOM 960 C ILE A 69 6.379 4.314 4.740 1.00 0.00 C ATOM 961 O ILE A 69 5.279 4.328 5.291 1.00 0.00 O ATOM 962 CB ILE A 69 6.572 4.251 2.186 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.660 5.122 0.931 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.337 3.349 2.172 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.389 4.389 -0.196 1.00 0.00 C ATOM 0 H ILE A 69 8.615 5.456 2.947 1.00 0.00 H new ATOM 0 HA ILE A 69 5.785 5.812 3.359 1.00 0.00 H new ATOM 0 HB ILE A 69 7.446 3.600 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.657 5.395 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.183 6.050 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.334 2.751 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.358 2.689 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.437 3.963 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.437 5.031 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.400 4.139 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.850 3.474 -0.443 1.00 0.00 H new ATOM 976 N LEU A 70 7.431 3.642 5.181 1.00 0.00 N ATOM 977 CA LEU A 70 7.354 2.844 6.393 1.00 0.00 C ATOM 978 C LEU A 70 7.049 3.757 7.582 1.00 0.00 C ATOM 979 O LEU A 70 6.303 3.380 8.484 1.00 0.00 O ATOM 980 CB LEU A 70 8.627 2.011 6.567 1.00 0.00 C ATOM 981 CG LEU A 70 9.076 1.208 5.345 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.602 1.144 5.261 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.442 -0.185 5.342 1.00 0.00 C ATOM 0 H LEU A 70 8.342 3.633 4.721 1.00 0.00 H new ATOM 0 HA LEU A 70 6.537 2.126 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.438 2.680 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.474 1.319 7.395 1.00 0.00 H new ATOM 0 HG LEU A 70 8.726 1.723 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.894 0.567 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.005 2.154 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.996 0.665 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.777 -0.735 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.740 -0.722 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.356 -0.091 5.319 1.00 0.00 H new ATOM 994 N GLU A 71 7.642 4.941 7.545 1.00 0.00 N ATOM 995 CA GLU A 71 7.443 5.912 8.607 1.00 0.00 C ATOM 996 C GLU A 71 6.047 6.530 8.508 1.00 0.00 C ATOM 997 O GLU A 71 5.347 6.654 9.511 1.00 0.00 O ATOM 998 CB GLU A 71 8.525 6.994 8.571 1.00 0.00 C ATOM 999 CG GLU A 71 9.727 6.595 9.432 1.00 0.00 C ATOM 1000 CD GLU A 71 10.531 7.827 9.854 1.00 0.00 C ATOM 1001 OE1 GLU A 71 11.339 8.289 9.021 1.00 0.00 O ATOM 1002 OE2 GLU A 71 10.318 8.277 11.000 1.00 0.00 O ATOM 0 H GLU A 71 8.261 5.250 6.795 1.00 0.00 H new ATOM 0 HA GLU A 71 7.523 5.395 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.848 7.157 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.113 7.937 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.383 6.060 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.367 5.911 8.875 1.00 0.00 H new ATOM 1007 N HIS A 72 5.684 6.900 7.288 1.00 0.00 N ATOM 1008 CA HIS A 72 4.384 7.501 7.045 1.00 0.00 C ATOM 1009 C HIS A 72 3.306 6.414 7.055 1.00 0.00 C ATOM 1010 O HIS A 72 2.114 6.718 7.072 1.00 0.00 O ATOM 1011 CB HIS A 72 4.396 8.313 5.748 1.00 0.00 C ATOM 1012 CG HIS A 72 5.270 9.543 5.801 1.00 0.00 C ATOM 1013 ND1 HIS A 72 4.825 10.796 5.418 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.565 9.699 6.198 1.00 0.00 C ATOM 1015 CE1 HIS A 72 5.818 11.659 5.579 1.00 0.00 C ATOM 1016 NE2 HIS A 72 6.895 10.977 6.063 1.00 0.00 N ATOM 0 H HIS A 72 6.268 6.795 6.458 1.00 0.00 H new ATOM 0 HA HIS A 72 4.149 8.204 7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.736 7.673 4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.376 8.615 5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.213 8.915 6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.781 12.717 5.364 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.804 11.382 6.285 1.00 0.00 H new ATOM 1023 N SER A 73 3.764 5.171 7.043 1.00 0.00 N ATOM 1024 CA SER A 73 2.854 4.039 7.049 1.00 0.00 C ATOM 1025 C SER A 73 1.879 4.159 8.222 1.00 0.00 C ATOM 1026 O SER A 73 0.852 3.481 8.252 1.00 0.00 O ATOM 1027 CB SER A 73 3.620 2.717 7.131 1.00 0.00 C ATOM 1028 OG SER A 73 3.650 2.197 8.457 1.00 0.00 O ATOM 0 H SER A 73 4.753 4.923 7.029 1.00 0.00 H new ATOM 0 HA SER A 73 2.293 4.046 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.156 1.988 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.640 2.867 6.778 1.00 0.00 H new ATOM 0 HG SER A 73 4.510 2.414 8.874 1.00 0.00 H new ATOM 1033 N HIS A 74 2.232 5.028 9.158 1.00 0.00 N ATOM 1034 CA HIS A 74 1.400 5.245 10.329 1.00 0.00 C ATOM 1035 C HIS A 74 0.097 5.932 9.913 1.00 0.00 C ATOM 1036 O HIS A 74 -0.886 5.906 10.652 1.00 0.00 O ATOM 1037 CB HIS A 74 2.164 6.024 11.401 1.00 0.00 C ATOM 1038 CG HIS A 74 2.325 7.494 11.096 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.518 8.042 10.655 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.433 8.523 11.172 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.339 9.343 10.476 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.047 9.638 10.798 1.00 0.00 N ATOM 0 H HIS A 74 3.083 5.590 9.129 1.00 0.00 H new ATOM 0 HA HIS A 74 1.138 4.286 10.776 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.645 5.916 12.353 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.151 5.579 11.524 1.00 0.00 H new ATOM 0 HD1 HIS A 74 4.386 7.531 10.495 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.402 8.444 11.484 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.085 10.046 10.135 1.00 0.00 H new ATOM 1049 N ARG A 75 0.133 6.531 8.732 1.00 0.00 N ATOM 1050 CA ARG A 75 -1.031 7.224 8.208 1.00 0.00 C ATOM 1051 C ARG A 75 -1.512 6.557 6.918 1.00 0.00 C ATOM 1052 O ARG A 75 -2.701 6.583 6.607 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.717 8.695 7.927 1.00 0.00 C ATOM 1054 CG ARG A 75 0.758 8.881 7.565 1.00 0.00 C ATOM 1055 CD ARG A 75 1.126 10.365 7.510 1.00 0.00 C ATOM 1056 NE ARG A 75 0.882 10.897 6.151 1.00 0.00 N ATOM 1057 CZ ARG A 75 0.828 12.203 5.853 1.00 0.00 C ATOM 1058 NH1 ARG A 75 1.001 13.117 6.817 1.00 0.00 N ATOM 1059 NH2 ARG A 75 0.603 12.594 4.591 1.00 0.00 N ATOM 0 H ARG A 75 0.951 6.551 8.123 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.815 7.169 8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.344 9.055 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.959 9.296 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.383 8.375 8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.961 8.416 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.536 10.922 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.174 10.499 7.779 1.00 0.00 H new ATOM 0 HE ARG A 75 0.746 10.228 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.174 12.819 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.960 14.111 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.473 11.898 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.562 13.588 4.365 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.561 5.975 6.202 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.872 5.301 4.953 1.00 0.00 C ATOM 1072 C ILE A 76 -2.179 4.520 5.111 1.00 0.00 C ATOM 1073 O ILE A 76 -2.235 3.540 5.852 1.00 0.00 O ATOM 1074 CB ILE A 76 0.308 4.438 4.501 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.534 5.303 4.196 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.081 3.555 3.314 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.641 4.473 3.543 1.00 0.00 C ATOM 0 H ILE A 76 0.425 5.956 6.463 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.029 6.029 4.157 1.00 0.00 H new ATOM 0 HB ILE A 76 0.579 3.773 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.250 6.122 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.906 5.751 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.776 2.952 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.903 2.899 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.393 4.183 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.500 5.111 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.939 3.670 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.273 4.046 2.610 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.197 4.985 4.402 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.500 4.343 4.454 1.00 0.00 C ATOM 1090 C ARG A 77 -5.061 4.165 3.042 1.00 0.00 C ATOM 1091 O ARG A 77 -4.901 5.040 2.191 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.486 5.164 5.287 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.766 4.488 6.630 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.902 3.470 6.503 1.00 0.00 C ATOM 1095 NE ARG A 77 -7.749 3.505 7.717 1.00 0.00 N ATOM 1096 CZ ARG A 77 -8.896 2.824 7.852 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -9.340 2.053 6.851 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -9.599 2.916 8.989 1.00 0.00 N ATOM 0 H ARG A 77 -3.146 5.798 3.789 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.370 3.368 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.082 6.162 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.419 5.287 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.864 3.990 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.029 5.241 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.504 3.693 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.492 2.470 6.364 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.441 4.083 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.805 1.984 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.213 1.535 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.261 3.504 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.472 2.398 9.092 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.705 3.026 2.835 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.290 2.722 1.540 1.00 0.00 C ATOM 1111 C PHE A 78 -7.773 3.099 1.506 1.00 0.00 C ATOM 1112 O PHE A 78 -8.449 3.067 2.534 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.155 1.213 1.331 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.786 0.778 0.806 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.655 1.157 1.459 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.699 0.011 -0.314 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.384 0.754 0.973 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.428 -0.392 -0.802 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.297 -0.012 -0.148 1.00 0.00 C ATOM 0 H PHE A 78 -5.835 2.302 3.542 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.781 3.288 0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.348 0.707 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.923 0.883 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.724 1.765 2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.597 -0.292 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.486 1.055 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.359 -1.000 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.330 -0.318 -0.519 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.235 3.446 0.314 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.626 3.828 0.133 1.00 0.00 C ATOM 1130 C LYS A 79 -10.180 3.142 -1.117 1.00 0.00 C ATOM 1131 O LYS A 79 -9.714 3.396 -2.226 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.765 5.352 0.111 1.00 0.00 C ATOM 1133 CG LYS A 79 -9.930 5.908 1.527 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.407 5.982 1.919 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.069 7.230 1.332 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.445 6.924 0.882 1.00 0.00 N ATOM 0 H LYS A 79 -7.672 3.471 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.227 3.489 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.886 5.794 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.625 5.634 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.394 5.276 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.484 6.901 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.926 5.091 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.498 5.994 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.093 8.022 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.480 7.601 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.880 7.782 0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.415 6.183 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.009 6.592 1.690 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.168 2.287 -0.895 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.790 1.562 -1.990 1.00 0.00 C ATOM 1148 C LEU A 80 -13.064 2.292 -2.419 1.00 0.00 C ATOM 1149 O LEU A 80 -13.739 2.908 -1.595 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.020 0.100 -1.602 1.00 0.00 C ATOM 1151 CG LEU A 80 -10.813 -0.830 -1.744 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.174 -2.262 -1.346 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.229 -0.757 -3.156 1.00 0.00 C ATOM 0 H LEU A 80 -11.553 2.080 0.027 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.128 1.537 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.358 0.069 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.831 -0.294 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.038 -0.491 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.299 -2.902 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.507 -2.278 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.974 -2.628 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.373 -1.427 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.988 -1.056 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.910 0.264 -3.366 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.355 2.199 -3.708 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.536 2.843 -4.257 1.00 0.00 C ATOM 1166 C LYS A 81 -15.766 2.413 -3.455 1.00 0.00 C ATOM 1167 O LYS A 81 -15.704 1.459 -2.681 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.651 2.562 -5.757 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.068 3.822 -6.520 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.698 3.462 -7.868 1.00 0.00 C ATOM 1171 CE LYS A 81 -17.203 3.233 -7.726 1.00 0.00 C ATOM 1172 NZ LYS A 81 -17.912 4.523 -7.569 1.00 0.00 N ATOM 0 H LYS A 81 -12.793 1.687 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.457 3.926 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.695 2.202 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.381 1.771 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.778 4.395 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.199 4.460 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.514 4.263 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.226 2.564 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.581 2.708 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.400 2.596 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.925 4.388 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.787 4.872 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.522 5.217 -8.238 1.00 0.00 H new