USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 677 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 31 TYR OH : rot 23:sc= -11.8! USER MOD Set 1.2: A 40 HIS : no HE2:sc= -29.1! C(o=-41!,f=-47!) USER MOD Single : A 6 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0138) USER MOD Single : A 7 GLN : amide:sc= -1.91 K(o=-1.9,f=-8.7!) USER MOD Single : A 11 SER OG : rot -110:sc= -2.1! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 29 TYR OH : rot 151:sc= -12.6! USER MOD Single : A 32 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00765 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -8.68! C(o=-13!,f=-8.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -160:sc= 0.107! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 55 MET CE :methyl 143:sc= -0.641 (180deg=-2.2!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -79:sc= -0.255 USER MOD Single : A 77 GLN : amide:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 154:sc= -0.131 (180deg=-0.578) USER MOD Single : A 88 LYS NZ :NH3+ 160:sc=-0.00277 (180deg=-0.423) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N ARG A 4 0.063 -6.073 12.220 1.00 0.00 N ATOM 46 CA ARG A 4 1.513 -6.043 12.366 1.00 0.00 C ATOM 47 C ARG A 4 1.973 -7.068 13.398 1.00 0.00 C ATOM 48 O ARG A 4 2.919 -7.821 13.161 1.00 0.00 O ATOM 49 CB ARG A 4 1.976 -4.644 12.778 1.00 0.00 C ATOM 50 CG ARG A 4 3.353 -4.623 13.426 1.00 0.00 C ATOM 51 CD ARG A 4 3.818 -3.202 13.706 1.00 0.00 C ATOM 52 NE ARG A 4 2.821 -2.434 14.447 1.00 0.00 N ATOM 53 CZ ARG A 4 3.092 -1.305 15.092 1.00 0.00 C ATOM 54 NH1 ARG A 4 4.323 -0.813 15.082 1.00 0.00 N ATOM 55 NH2 ARG A 4 2.133 -0.666 15.750 1.00 0.00 N ATOM 0 HA ARG A 4 1.958 -6.296 11.403 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.988 -4.001 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.251 -4.220 13.473 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.326 -5.188 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.071 -5.119 12.773 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.748 -3.231 14.273 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.035 -2.700 12.763 1.00 0.00 H new ATOM 0 HE ARG A 4 1.863 -2.784 14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.063 -1.302 14.579 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.530 0.054 15.578 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.185 -1.042 15.761 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.344 0.201 16.244 1.00 0.00 H new ATOM 69 N ASP A 5 1.293 -7.096 14.540 1.00 0.00 N ATOM 70 CA ASP A 5 1.630 -8.033 15.603 1.00 0.00 C ATOM 71 C ASP A 5 1.193 -9.438 15.221 1.00 0.00 C ATOM 72 O ASP A 5 1.924 -10.408 15.418 1.00 0.00 O ATOM 73 CB ASP A 5 0.967 -7.614 16.917 1.00 0.00 C ATOM 74 CG ASP A 5 1.730 -6.509 17.623 1.00 0.00 C ATOM 75 OD1 ASP A 5 2.740 -6.817 18.288 1.00 0.00 O ATOM 76 OD2 ASP A 5 1.316 -5.336 17.508 1.00 0.00 O ATOM 0 H ASP A 5 0.507 -6.481 14.752 1.00 0.00 H new ATOM 0 HA ASP A 5 2.711 -8.025 15.742 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.051 -7.278 16.717 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.893 -8.479 17.576 1.00 0.00 H new ATOM 81 N LYS A 6 -0.003 -9.533 14.656 1.00 0.00 N ATOM 82 CA LYS A 6 -0.548 -10.803 14.222 1.00 0.00 C ATOM 83 C LYS A 6 0.309 -11.389 13.108 1.00 0.00 C ATOM 84 O LYS A 6 0.520 -12.601 13.041 1.00 0.00 O ATOM 85 CB LYS A 6 -1.978 -10.599 13.734 1.00 0.00 C ATOM 86 CG LYS A 6 -2.107 -9.487 12.706 1.00 0.00 C ATOM 87 CD LYS A 6 -2.088 -10.036 11.291 1.00 0.00 C ATOM 88 CE LYS A 6 -3.471 -10.487 10.847 1.00 0.00 C ATOM 89 NZ LYS A 6 -3.563 -11.968 10.731 1.00 0.00 N ATOM 0 H LYS A 6 -0.616 -8.735 14.488 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.549 -11.500 15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.343 -11.530 13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.617 -10.372 14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.035 -8.941 12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.291 -8.776 12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.717 -9.271 10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.395 -10.876 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.215 -10.132 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.709 -10.032 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.529 -12.275 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.335 -12.255 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.890 -12.410 11.389 1.00 0.00 H new ATOM 103 N GLN A 7 0.805 -10.515 12.236 1.00 0.00 N ATOM 104 CA GLN A 7 1.645 -10.940 11.126 1.00 0.00 C ATOM 105 C GLN A 7 2.907 -11.607 11.642 1.00 0.00 C ATOM 106 O GLN A 7 3.411 -12.561 11.048 1.00 0.00 O ATOM 107 CB GLN A 7 1.998 -9.751 10.232 1.00 0.00 C ATOM 108 CG GLN A 7 0.915 -9.405 9.222 1.00 0.00 C ATOM 109 CD GLN A 7 0.252 -10.634 8.630 1.00 0.00 C ATOM 110 OE1 GLN A 7 -0.898 -10.943 8.941 1.00 0.00 O ATOM 111 NE2 GLN A 7 0.976 -11.341 7.770 1.00 0.00 N ATOM 0 H GLN A 7 0.638 -9.510 12.279 1.00 0.00 H new ATOM 0 HA GLN A 7 1.088 -11.664 10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.190 -8.880 10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.923 -9.970 9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.159 -8.786 9.704 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.350 -8.809 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.926 -11.048 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.582 -12.177 7.338 1.00 0.00 H new ATOM 120 N VAL A 8 3.395 -11.116 12.768 1.00 0.00 N ATOM 121 CA VAL A 8 4.576 -11.676 13.388 1.00 0.00 C ATOM 122 C VAL A 8 4.282 -13.085 13.851 1.00 0.00 C ATOM 123 O VAL A 8 5.013 -14.025 13.540 1.00 0.00 O ATOM 124 CB VAL A 8 5.033 -10.842 14.591 1.00 0.00 C ATOM 125 CG1 VAL A 8 6.519 -11.008 14.792 1.00 0.00 C ATOM 126 CG2 VAL A 8 4.674 -9.379 14.403 1.00 0.00 C ATOM 0 H VAL A 8 2.987 -10.328 13.271 1.00 0.00 H new ATOM 0 HA VAL A 8 5.375 -11.675 12.646 1.00 0.00 H new ATOM 0 HB VAL A 8 4.515 -11.198 15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.839 -10.414 15.648 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.746 -12.058 14.974 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.047 -10.672 13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.008 -8.808 15.269 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.162 -8.997 13.506 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.594 -9.280 14.298 1.00 0.00 H new ATOM 136 N LEU A 9 3.184 -13.222 14.577 1.00 0.00 N ATOM 137 CA LEU A 9 2.760 -14.514 15.065 1.00 0.00 C ATOM 138 C LEU A 9 2.982 -15.565 13.993 1.00 0.00 C ATOM 139 O LEU A 9 3.872 -16.401 14.105 1.00 0.00 O ATOM 140 CB LEU A 9 1.283 -14.462 15.434 1.00 0.00 C ATOM 141 CG LEU A 9 0.987 -14.520 16.927 1.00 0.00 C ATOM 142 CD1 LEU A 9 1.203 -15.927 17.457 1.00 0.00 C ATOM 143 CD2 LEU A 9 1.854 -13.525 17.683 1.00 0.00 C ATOM 0 H LEU A 9 2.572 -12.449 14.839 1.00 0.00 H new ATOM 0 HA LEU A 9 3.344 -14.774 15.948 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.856 -13.544 15.030 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.773 -15.293 14.946 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.058 -14.250 17.082 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.987 -15.951 18.525 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.539 -16.618 16.937 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.238 -16.224 17.289 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.628 -13.581 18.748 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.906 -13.763 17.522 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.651 -12.517 17.322 1.00 0.00 H new ATOM 155 N ARG A 10 2.162 -15.499 12.951 1.00 0.00 N ATOM 156 CA ARG A 10 2.247 -16.438 11.833 1.00 0.00 C ATOM 157 C ARG A 10 3.693 -16.651 11.384 1.00 0.00 C ATOM 158 O ARG A 10 4.144 -17.789 11.230 1.00 0.00 O ATOM 159 CB ARG A 10 1.409 -15.935 10.657 1.00 0.00 C ATOM 160 CG ARG A 10 0.301 -16.893 10.253 1.00 0.00 C ATOM 161 CD ARG A 10 0.838 -18.044 9.418 1.00 0.00 C ATOM 162 NE ARG A 10 1.511 -17.576 8.210 1.00 0.00 N ATOM 163 CZ ARG A 10 2.193 -18.371 7.393 1.00 0.00 C ATOM 164 NH1 ARG A 10 2.297 -19.666 7.657 1.00 0.00 N ATOM 165 NH2 ARG A 10 2.773 -17.869 6.311 1.00 0.00 N ATOM 0 H ARG A 10 1.425 -14.801 12.855 1.00 0.00 H new ATOM 0 HA ARG A 10 1.856 -17.396 12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.970 -14.972 10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.062 -15.765 9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.186 -17.286 11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.459 -16.354 9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.534 -18.632 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.017 -18.706 9.142 1.00 0.00 H new ATOM 0 HE ARG A 10 1.454 -16.584 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.853 -20.054 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.821 -20.274 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.695 -16.873 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.297 -18.479 5.684 1.00 0.00 H new ATOM 179 N SER A 11 4.418 -15.558 11.174 1.00 0.00 N ATOM 180 CA SER A 11 5.809 -15.646 10.745 1.00 0.00 C ATOM 181 C SER A 11 6.597 -16.571 11.668 1.00 0.00 C ATOM 182 O SER A 11 6.802 -17.750 11.364 1.00 0.00 O ATOM 183 CB SER A 11 6.450 -14.256 10.726 1.00 0.00 C ATOM 184 OG SER A 11 6.736 -13.844 9.401 1.00 0.00 O ATOM 0 H SER A 11 4.069 -14.607 11.293 1.00 0.00 H new ATOM 0 HA SER A 11 5.830 -16.058 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.780 -13.537 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.369 -14.268 11.313 1.00 0.00 H new ATOM 0 HG SER A 11 7.706 -13.837 9.263 1.00 0.00 H new ATOM 190 N LEU A 12 7.034 -16.029 12.798 1.00 0.00 N ATOM 191 CA LEU A 12 7.794 -16.799 13.768 1.00 0.00 C ATOM 192 C LEU A 12 6.995 -17.994 14.269 1.00 0.00 C ATOM 193 O LEU A 12 7.546 -18.896 14.895 1.00 0.00 O ATOM 194 CB LEU A 12 8.196 -15.911 14.945 1.00 0.00 C ATOM 195 CG LEU A 12 9.626 -15.373 14.892 1.00 0.00 C ATOM 196 CD1 LEU A 12 10.548 -16.245 15.728 1.00 0.00 C ATOM 197 CD2 LEU A 12 10.116 -15.296 13.452 1.00 0.00 C ATOM 0 H LEU A 12 6.873 -15.057 13.063 1.00 0.00 H new ATOM 0 HA LEU A 12 8.691 -17.172 13.274 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.508 -15.067 14.995 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.072 -16.478 15.867 1.00 0.00 H new ATOM 0 HG LEU A 12 9.634 -14.365 15.307 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.563 -15.851 15.681 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.207 -16.247 16.763 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.536 -17.263 15.340 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.136 -14.911 13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.096 -16.291 13.007 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.467 -14.631 12.882 1.00 0.00 H new ATOM 209 N ARG A 13 5.694 -18.000 13.993 1.00 0.00 N ATOM 210 CA ARG A 13 4.836 -19.097 14.427 1.00 0.00 C ATOM 211 C ARG A 13 5.406 -20.431 13.957 1.00 0.00 C ATOM 212 O ARG A 13 5.871 -21.239 14.760 1.00 0.00 O ATOM 213 CB ARG A 13 3.403 -18.902 13.901 1.00 0.00 C ATOM 214 CG ARG A 13 2.761 -20.160 13.339 1.00 0.00 C ATOM 215 CD ARG A 13 1.246 -20.107 13.434 1.00 0.00 C ATOM 216 NE ARG A 13 0.615 -20.174 12.120 1.00 0.00 N ATOM 217 CZ ARG A 13 -0.689 -20.354 11.937 1.00 0.00 C ATOM 218 NH1 ARG A 13 -1.495 -20.485 12.981 1.00 0.00 N ATOM 219 NH2 ARG A 13 -1.187 -20.404 10.709 1.00 0.00 N ATOM 0 H ARG A 13 5.214 -17.264 13.475 1.00 0.00 H new ATOM 0 HA ARG A 13 4.801 -19.102 15.516 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.781 -18.523 14.711 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.416 -18.138 13.124 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.056 -20.285 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.130 -21.030 13.882 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.892 -20.934 14.049 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.946 -19.186 13.934 1.00 0.00 H new ATOM 0 HE ARG A 13 1.208 -20.077 11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.115 -20.448 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.496 -20.623 12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.569 -20.304 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.188 -20.542 10.570 1.00 0.00 H new ATOM 233 N LEU A 14 5.359 -20.653 12.649 1.00 0.00 N ATOM 234 CA LEU A 14 5.860 -21.888 12.062 1.00 0.00 C ATOM 235 C LEU A 14 7.374 -22.006 12.218 1.00 0.00 C ATOM 236 O LEU A 14 7.902 -23.107 12.374 1.00 0.00 O ATOM 237 CB LEU A 14 5.496 -21.944 10.582 1.00 0.00 C ATOM 238 CG LEU A 14 6.357 -21.056 9.689 1.00 0.00 C ATOM 239 CD1 LEU A 14 7.136 -21.894 8.686 1.00 0.00 C ATOM 240 CD2 LEU A 14 5.495 -20.025 8.974 1.00 0.00 C ATOM 0 H LEU A 14 4.978 -19.991 11.973 1.00 0.00 H new ATOM 0 HA LEU A 14 5.396 -22.721 12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.580 -22.975 10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.452 -21.653 10.465 1.00 0.00 H new ATOM 0 HG LEU A 14 7.074 -20.528 10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.743 -21.240 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.784 -22.590 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.440 -22.452 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.125 -19.400 8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.754 -20.535 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.988 -19.401 9.710 1.00 0.00 H new ATOM 252 N GLU A 15 8.072 -20.874 12.163 1.00 0.00 N ATOM 253 CA GLU A 15 9.523 -20.880 12.289 1.00 0.00 C ATOM 254 C GLU A 15 9.942 -21.650 13.529 1.00 0.00 C ATOM 255 O GLU A 15 10.363 -22.804 13.445 1.00 0.00 O ATOM 256 CB GLU A 15 10.062 -19.451 12.344 1.00 0.00 C ATOM 257 CG GLU A 15 10.379 -18.870 10.976 1.00 0.00 C ATOM 258 CD GLU A 15 11.751 -19.276 10.475 1.00 0.00 C ATOM 259 OE1 GLU A 15 12.730 -18.563 10.781 1.00 0.00 O ATOM 260 OE2 GLU A 15 11.847 -20.307 9.777 1.00 0.00 O ATOM 0 H GLU A 15 7.659 -19.950 12.033 1.00 0.00 H new ATOM 0 HA GLU A 15 9.943 -21.374 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.330 -18.814 12.840 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.965 -19.435 12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.624 -19.198 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.321 -17.783 11.025 1.00 0.00 H new ATOM 267 N LEU A 16 9.806 -21.015 14.682 1.00 0.00 N ATOM 268 CA LEU A 16 10.150 -21.653 15.940 1.00 0.00 C ATOM 269 C LEU A 16 9.105 -22.700 16.297 1.00 0.00 C ATOM 270 O LEU A 16 9.316 -23.530 17.181 1.00 0.00 O ATOM 271 CB LEU A 16 10.248 -20.615 17.055 1.00 0.00 C ATOM 272 CG LEU A 16 9.148 -19.553 17.053 1.00 0.00 C ATOM 273 CD1 LEU A 16 7.775 -20.207 17.092 1.00 0.00 C ATOM 274 CD2 LEU A 16 9.323 -18.606 18.229 1.00 0.00 C ATOM 0 H LEU A 16 9.460 -20.060 14.772 1.00 0.00 H new ATOM 0 HA LEU A 16 11.119 -22.139 15.829 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.230 -21.132 18.014 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.214 -20.115 16.981 1.00 0.00 H new ATOM 0 HG LEU A 16 9.226 -18.976 16.132 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.005 -19.436 17.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.651 -20.846 16.218 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.684 -20.808 17.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.532 -17.856 18.213 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.270 -19.169 19.161 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.292 -18.113 18.158 1.00 0.00 H new ATOM 286 N GLY A 17 7.975 -22.655 15.596 1.00 0.00 N ATOM 287 CA GLY A 17 6.911 -23.608 15.851 1.00 0.00 C ATOM 288 C GLY A 17 7.183 -24.955 15.212 1.00 0.00 C ATOM 289 O GLY A 17 6.698 -25.983 15.683 1.00 0.00 O ATOM 0 H GLY A 17 7.779 -21.978 14.859 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.790 -23.736 16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.970 -23.210 15.470 1.00 0.00 H new ATOM 293 N ALA A 18 7.963 -24.948 14.135 1.00 0.00 N ATOM 294 CA ALA A 18 8.301 -26.178 13.430 1.00 0.00 C ATOM 295 C ALA A 18 8.663 -27.290 14.409 1.00 0.00 C ATOM 296 O ALA A 18 7.903 -28.241 14.592 1.00 0.00 O ATOM 297 CB ALA A 18 9.448 -25.930 12.462 1.00 0.00 C ATOM 0 H ALA A 18 8.372 -24.105 13.733 1.00 0.00 H new ATOM 0 HA ALA A 18 7.425 -26.498 12.866 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.691 -26.856 11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.154 -25.172 11.736 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.322 -25.584 13.014 1.00 0.00 H new ATOM 410 N VAL A 26 5.564 -20.407 29.661 1.00 0.00 N ATOM 411 CA VAL A 26 4.932 -19.183 29.186 1.00 0.00 C ATOM 412 C VAL A 26 3.419 -19.278 29.312 1.00 0.00 C ATOM 413 O VAL A 26 2.737 -18.280 29.528 1.00 0.00 O ATOM 414 CB VAL A 26 5.302 -18.897 27.723 1.00 0.00 C ATOM 415 CG1 VAL A 26 6.811 -18.844 27.566 1.00 0.00 C ATOM 416 CG2 VAL A 26 4.696 -19.945 26.802 1.00 0.00 C ATOM 0 HA VAL A 26 5.297 -18.365 29.807 1.00 0.00 H new ATOM 0 HB VAL A 26 4.892 -17.927 27.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.062 -18.641 26.525 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.215 -18.053 28.198 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.241 -19.800 27.863 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.970 -19.725 25.770 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.073 -20.931 27.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.611 -19.932 26.900 1.00 0.00 H new ATOM 426 N LEU A 27 2.905 -20.494 29.194 1.00 0.00 N ATOM 427 CA LEU A 27 1.472 -20.740 29.307 1.00 0.00 C ATOM 428 C LEU A 27 0.913 -20.248 30.637 1.00 0.00 C ATOM 429 O LEU A 27 -0.301 -20.206 30.826 1.00 0.00 O ATOM 430 CB LEU A 27 1.184 -22.235 29.169 1.00 0.00 C ATOM 431 CG LEU A 27 0.216 -22.606 28.050 1.00 0.00 C ATOM 432 CD1 LEU A 27 -1.201 -22.208 28.434 1.00 0.00 C ATOM 433 CD2 LEU A 27 0.630 -21.944 26.746 1.00 0.00 C ATOM 0 H LEU A 27 3.462 -21.331 29.019 1.00 0.00 H new ATOM 0 HA LEU A 27 0.985 -20.186 28.504 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.126 -22.757 29.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.781 -22.600 30.113 1.00 0.00 H new ATOM 0 HG LEU A 27 0.244 -23.686 27.903 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.885 -22.477 27.629 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.491 -22.730 29.346 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.244 -21.132 28.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.072 -22.220 25.959 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.628 -20.861 26.871 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.631 -22.276 26.472 1.00 0.00 H new ATOM 445 N GLN A 28 1.795 -19.906 31.567 1.00 0.00 N ATOM 446 CA GLN A 28 1.362 -19.461 32.884 1.00 0.00 C ATOM 447 C GLN A 28 1.160 -17.953 32.957 1.00 0.00 C ATOM 448 O GLN A 28 0.085 -17.490 33.326 1.00 0.00 O ATOM 449 CB GLN A 28 2.374 -19.902 33.937 1.00 0.00 C ATOM 450 CG GLN A 28 2.563 -21.408 34.007 1.00 0.00 C ATOM 451 CD GLN A 28 1.713 -22.056 35.082 1.00 0.00 C ATOM 452 OE1 GLN A 28 0.520 -21.773 35.201 1.00 0.00 O ATOM 453 NE2 GLN A 28 2.324 -22.930 35.871 1.00 0.00 N ATOM 0 H GLN A 28 2.806 -19.928 31.435 1.00 0.00 H new ATOM 0 HA GLN A 28 0.394 -19.923 33.078 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.335 -19.433 33.724 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.052 -19.539 34.913 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.315 -21.846 33.040 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.613 -21.630 34.197 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.314 -23.134 35.736 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.804 -23.398 36.613 1.00 0.00 H new ATOM 462 N TYR A 29 2.187 -17.193 32.606 1.00 0.00 N ATOM 463 CA TYR A 29 2.099 -15.738 32.641 1.00 0.00 C ATOM 464 C TYR A 29 1.058 -15.278 31.645 1.00 0.00 C ATOM 465 O TYR A 29 0.410 -14.245 31.809 1.00 0.00 O ATOM 466 CB TYR A 29 3.474 -15.125 32.311 1.00 0.00 C ATOM 467 CG TYR A 29 3.439 -13.940 31.356 1.00 0.00 C ATOM 468 CD1 TYR A 29 2.965 -14.067 30.053 1.00 0.00 C ATOM 469 CD2 TYR A 29 3.879 -12.692 31.766 1.00 0.00 C ATOM 470 CE1 TYR A 29 2.934 -12.987 29.198 1.00 0.00 C ATOM 471 CE2 TYR A 29 3.850 -11.607 30.915 1.00 0.00 C ATOM 472 CZ TYR A 29 3.376 -11.760 29.633 1.00 0.00 C ATOM 473 OH TYR A 29 3.346 -10.682 28.783 1.00 0.00 O ATOM 0 H TYR A 29 3.088 -17.556 32.295 1.00 0.00 H new ATOM 0 HA TYR A 29 1.805 -15.409 33.638 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.946 -14.809 33.241 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.107 -15.901 31.880 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.616 -15.028 29.707 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.252 -12.566 32.772 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.564 -13.104 28.190 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.198 -10.642 31.254 1.00 0.00 H new ATOM 0 HH TYR A 29 3.236 -9.859 29.303 1.00 0.00 H new ATOM 483 N LEU A 30 0.948 -16.061 30.597 1.00 0.00 N ATOM 484 CA LEU A 30 0.044 -15.795 29.505 1.00 0.00 C ATOM 485 C LEU A 30 -1.396 -16.078 29.857 1.00 0.00 C ATOM 486 O LEU A 30 -2.198 -15.167 30.056 1.00 0.00 O ATOM 487 CB LEU A 30 0.437 -16.679 28.348 1.00 0.00 C ATOM 488 CG LEU A 30 1.836 -16.439 27.829 1.00 0.00 C ATOM 489 CD1 LEU A 30 2.250 -17.538 26.881 1.00 0.00 C ATOM 490 CD2 LEU A 30 1.901 -15.092 27.161 1.00 0.00 C ATOM 0 H LEU A 30 1.494 -16.915 30.478 1.00 0.00 H new ATOM 0 HA LEU A 30 0.118 -14.736 29.258 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.350 -17.721 28.656 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.271 -16.528 27.533 1.00 0.00 H new ATOM 0 HG LEU A 30 2.534 -16.448 28.666 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.260 -17.345 26.519 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.227 -18.495 27.402 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.562 -17.568 26.036 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.910 -14.920 26.787 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.196 -15.064 26.330 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.644 -14.316 27.882 1.00 0.00 H new ATOM 502 N TYR A 31 -1.720 -17.356 29.901 1.00 0.00 N ATOM 503 CA TYR A 31 -3.075 -17.778 30.195 1.00 0.00 C ATOM 504 C TYR A 31 -3.568 -17.146 31.491 1.00 0.00 C ATOM 505 O TYR A 31 -4.772 -17.076 31.736 1.00 0.00 O ATOM 506 CB TYR A 31 -3.173 -19.307 30.212 1.00 0.00 C ATOM 507 CG TYR A 31 -3.211 -19.907 28.814 1.00 0.00 C ATOM 508 CD1 TYR A 31 -2.270 -19.542 27.852 1.00 0.00 C ATOM 509 CD2 TYR A 31 -4.202 -20.814 28.443 1.00 0.00 C ATOM 510 CE1 TYR A 31 -2.319 -20.057 26.575 1.00 0.00 C ATOM 511 CE2 TYR A 31 -4.250 -21.334 27.167 1.00 0.00 C ATOM 512 CZ TYR A 31 -3.303 -20.948 26.236 1.00 0.00 C ATOM 513 OH TYR A 31 -3.343 -21.447 24.955 1.00 0.00 O ATOM 0 H TYR A 31 -1.064 -18.119 29.737 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.734 -17.426 29.402 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.321 -19.716 30.756 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.070 -19.604 30.755 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.489 -18.843 28.112 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.945 -21.115 29.167 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.583 -19.759 25.843 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.022 -22.039 26.896 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.454 -21.377 24.549 1.00 0.00 H new ATOM 523 N GLN A 32 -2.639 -16.640 32.299 1.00 0.00 N ATOM 524 CA GLN A 32 -3.012 -15.964 33.535 1.00 0.00 C ATOM 525 C GLN A 32 -3.195 -14.478 33.273 1.00 0.00 C ATOM 526 O GLN A 32 -4.130 -13.858 33.779 1.00 0.00 O ATOM 527 CB GLN A 32 -1.968 -16.172 34.631 1.00 0.00 C ATOM 528 CG GLN A 32 -2.006 -17.556 35.254 1.00 0.00 C ATOM 529 CD GLN A 32 -3.018 -17.653 36.380 1.00 0.00 C ATOM 530 OE1 GLN A 32 -3.431 -16.642 36.947 1.00 0.00 O ATOM 531 NE2 GLN A 32 -3.424 -18.874 36.709 1.00 0.00 N ATOM 0 H GLN A 32 -1.635 -16.685 32.122 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.950 -16.397 33.882 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.976 -15.998 34.214 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.120 -15.427 35.412 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.248 -18.291 34.486 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.016 -17.808 35.635 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.055 -19.685 36.212 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.104 -19.001 37.458 1.00 0.00 H new ATOM 540 N GLU A 33 -2.301 -13.914 32.466 1.00 0.00 N ATOM 541 CA GLU A 33 -2.380 -12.503 32.126 1.00 0.00 C ATOM 542 C GLU A 33 -3.628 -12.239 31.299 1.00 0.00 C ATOM 543 O GLU A 33 -4.259 -11.190 31.426 1.00 0.00 O ATOM 544 CB GLU A 33 -1.137 -12.059 31.351 1.00 0.00 C ATOM 545 CG GLU A 33 0.001 -11.593 32.243 1.00 0.00 C ATOM 546 CD GLU A 33 -0.174 -10.162 32.715 1.00 0.00 C ATOM 547 OE1 GLU A 33 -1.331 -9.696 32.781 1.00 0.00 O ATOM 548 OE2 GLU A 33 0.846 -9.507 33.018 1.00 0.00 O ATOM 0 H GLU A 33 -1.519 -14.411 32.039 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.432 -11.929 33.051 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.788 -12.887 30.734 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.411 -11.250 30.673 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.071 -12.251 33.109 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.942 -11.680 31.700 1.00 0.00 H new ATOM 555 N GLY A 34 -3.987 -13.204 30.453 1.00 0.00 N ATOM 556 CA GLY A 34 -5.169 -13.047 29.625 1.00 0.00 C ATOM 557 C GLY A 34 -4.919 -13.423 28.185 1.00 0.00 C ATOM 558 O GLY A 34 -5.855 -13.720 27.442 1.00 0.00 O ATOM 0 H GLY A 34 -3.485 -14.083 30.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.973 -13.665 30.024 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.508 -12.012 29.674 1.00 0.00 H new ATOM 562 N ILE A 35 -3.650 -13.436 27.800 1.00 0.00 N ATOM 563 CA ILE A 35 -3.257 -13.807 26.456 1.00 0.00 C ATOM 564 C ILE A 35 -4.173 -14.865 25.907 1.00 0.00 C ATOM 565 O ILE A 35 -4.639 -14.804 24.768 1.00 0.00 O ATOM 566 CB ILE A 35 -1.857 -14.403 26.506 1.00 0.00 C ATOM 567 CG1 ILE A 35 -0.877 -13.331 26.967 1.00 0.00 C ATOM 568 CG2 ILE A 35 -1.464 -15.003 25.164 1.00 0.00 C ATOM 569 CD1 ILE A 35 0.228 -13.022 25.975 1.00 0.00 C ATOM 0 H ILE A 35 -2.871 -13.190 28.410 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.298 -12.919 25.826 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.836 -15.224 27.223 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.430 -12.415 27.173 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.426 -13.649 27.907 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.459 -15.420 25.232 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.167 -15.792 24.898 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.483 -14.227 24.399 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.879 -12.249 26.384 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.810 -13.924 25.786 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.210 -12.671 25.041 1.00 0.00 H new ATOM 581 N LEU A 36 -4.383 -15.855 26.740 1.00 0.00 N ATOM 582 CA LEU A 36 -5.201 -16.993 26.392 1.00 0.00 C ATOM 583 C LEU A 36 -6.685 -16.686 26.472 1.00 0.00 C ATOM 584 O LEU A 36 -7.098 -15.636 26.965 1.00 0.00 O ATOM 585 CB LEU A 36 -4.834 -18.160 27.304 1.00 0.00 C ATOM 586 CG LEU A 36 -5.766 -18.388 28.489 1.00 0.00 C ATOM 587 CD1 LEU A 36 -6.128 -17.063 29.136 1.00 0.00 C ATOM 588 CD2 LEU A 36 -6.989 -19.162 28.029 1.00 0.00 C ATOM 0 H LEU A 36 -3.991 -15.895 27.681 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.002 -17.256 25.353 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.807 -19.071 26.706 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.825 -17.998 27.684 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.263 -18.984 29.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.794 -17.240 29.981 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.221 -16.569 29.486 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.629 -16.427 28.406 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.656 -19.325 28.876 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.512 -18.593 27.260 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.679 -20.124 27.621 1.00 0.00 H new ATOM 600 N THR A 37 -7.476 -17.636 26.010 1.00 0.00 N ATOM 601 CA THR A 37 -8.914 -17.524 26.044 1.00 0.00 C ATOM 602 C THR A 37 -9.550 -18.894 25.839 1.00 0.00 C ATOM 603 O THR A 37 -8.872 -19.843 25.459 1.00 0.00 O ATOM 604 CB THR A 37 -9.410 -16.529 24.991 1.00 0.00 C ATOM 605 OG1 THR A 37 -10.198 -17.185 24.013 1.00 0.00 O ATOM 606 CG2 THR A 37 -8.288 -15.805 24.269 1.00 0.00 C ATOM 0 H THR A 37 -7.135 -18.506 25.601 1.00 0.00 H new ATOM 0 HA THR A 37 -9.210 -17.146 27.023 1.00 0.00 H new ATOM 0 HB THR A 37 -9.996 -15.794 25.544 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.507 -16.533 23.350 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.711 -15.116 23.538 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.692 -15.247 24.991 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.655 -16.531 23.760 1.00 0.00 H new ATOM 614 N GLU A 38 -10.847 -18.994 26.106 1.00 0.00 N ATOM 615 CA GLU A 38 -11.566 -20.257 25.959 1.00 0.00 C ATOM 616 C GLU A 38 -10.986 -21.094 24.819 1.00 0.00 C ATOM 617 O GLU A 38 -10.559 -22.235 25.020 1.00 0.00 O ATOM 618 CB GLU A 38 -13.051 -19.992 25.708 1.00 0.00 C ATOM 619 CG GLU A 38 -13.842 -19.713 26.976 1.00 0.00 C ATOM 620 CD GLU A 38 -13.542 -18.347 27.563 1.00 0.00 C ATOM 621 OE1 GLU A 38 -12.402 -18.138 28.029 1.00 0.00 O ATOM 622 OE2 GLU A 38 -14.447 -17.486 27.556 1.00 0.00 O ATOM 0 H GLU A 38 -11.424 -18.216 26.426 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.452 -20.819 26.886 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.151 -19.142 25.033 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.485 -20.854 25.201 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.908 -19.784 26.758 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.616 -20.480 27.717 1.00 0.00 H new ATOM 629 N ASN A 39 -10.972 -20.518 23.621 1.00 0.00 N ATOM 630 CA ASN A 39 -10.446 -21.206 22.449 1.00 0.00 C ATOM 631 C ASN A 39 -9.081 -21.823 22.738 1.00 0.00 C ATOM 632 O ASN A 39 -8.773 -22.916 22.262 1.00 0.00 O ATOM 633 CB ASN A 39 -10.347 -20.240 21.267 1.00 0.00 C ATOM 634 CG ASN A 39 -11.333 -20.575 20.165 1.00 0.00 C ATOM 635 OD1 ASN A 39 -11.129 -21.514 19.397 1.00 0.00 O ATOM 636 ND2 ASN A 39 -12.412 -19.804 20.083 1.00 0.00 N ATOM 0 H ASN A 39 -11.319 -19.577 23.437 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.135 -22.011 22.194 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.527 -19.223 21.616 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.334 -20.264 20.865 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.111 -19.981 19.362 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.541 -19.036 20.741 1.00 0.00 H new ATOM 643 N HIS A 40 -8.264 -21.123 23.523 1.00 0.00 N ATOM 644 CA HIS A 40 -6.939 -21.621 23.868 1.00 0.00 C ATOM 645 C HIS A 40 -7.034 -22.959 24.578 1.00 0.00 C ATOM 646 O HIS A 40 -6.638 -23.989 24.033 1.00 0.00 O ATOM 647 CB HIS A 40 -6.209 -20.636 24.776 1.00 0.00 C ATOM 648 CG HIS A 40 -5.755 -19.379 24.103 1.00 0.00 C ATOM 649 ND1 HIS A 40 -4.442 -18.952 24.084 1.00 0.00 N ATOM 650 CD2 HIS A 40 -6.451 -18.466 23.404 1.00 0.00 C ATOM 651 CE1 HIS A 40 -4.356 -17.825 23.391 1.00 0.00 C ATOM 652 NE2 HIS A 40 -5.563 -17.511 22.970 1.00 0.00 N ATOM 0 H HIS A 40 -8.496 -20.216 23.928 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.383 -21.740 22.938 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -6.867 -20.371 25.604 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.341 -21.135 25.206 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -3.660 -19.429 24.533 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.515 -18.480 23.217 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.453 -17.263 23.204 1.00 0.00 H new ATOM 661 N ILE A 41 -7.565 -22.929 25.800 1.00 0.00 N ATOM 662 CA ILE A 41 -7.728 -24.123 26.607 1.00 0.00 C ATOM 663 C ILE A 41 -7.929 -25.341 25.722 1.00 0.00 C ATOM 664 O ILE A 41 -7.368 -26.410 25.962 1.00 0.00 O ATOM 665 CB ILE A 41 -8.933 -23.940 27.557 1.00 0.00 C ATOM 666 CG1 ILE A 41 -8.447 -23.761 28.990 1.00 0.00 C ATOM 667 CG2 ILE A 41 -9.913 -25.100 27.467 1.00 0.00 C ATOM 668 CD1 ILE A 41 -7.716 -22.457 29.224 1.00 0.00 C ATOM 0 H ILE A 41 -7.892 -22.075 26.252 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.826 -24.281 27.198 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.467 -23.043 27.244 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.302 -23.814 29.664 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.786 -24.589 29.247 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.744 -24.929 28.152 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.293 -25.177 26.448 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.406 -26.026 27.737 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.400 -22.399 30.265 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.841 -22.409 28.576 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.380 -21.622 29.000 1.00 0.00 H new ATOM 680 N GLN A 42 -8.737 -25.153 24.694 1.00 0.00 N ATOM 681 CA GLN A 42 -9.027 -26.222 23.750 1.00 0.00 C ATOM 682 C GLN A 42 -7.746 -26.696 23.072 1.00 0.00 C ATOM 683 O GLN A 42 -7.348 -27.857 23.202 1.00 0.00 O ATOM 684 CB GLN A 42 -10.033 -25.749 22.699 1.00 0.00 C ATOM 685 CG GLN A 42 -11.414 -26.366 22.854 1.00 0.00 C ATOM 686 CD GLN A 42 -12.529 -25.385 22.542 1.00 0.00 C ATOM 687 OE1 GLN A 42 -13.201 -24.884 23.443 1.00 0.00 O ATOM 688 NE2 GLN A 42 -12.731 -25.105 21.259 1.00 0.00 N ATOM 0 H GLN A 42 -9.205 -24.270 24.490 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.462 -27.057 24.300 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.121 -24.664 22.755 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.648 -25.986 21.707 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.499 -27.229 22.193 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.532 -26.732 23.874 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.150 -25.543 20.544 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.467 -24.452 20.989 1.00 0.00 H new ATOM 697 N GLU A 43 -7.098 -25.788 22.353 1.00 0.00 N ATOM 698 CA GLU A 43 -5.862 -26.118 21.662 1.00 0.00 C ATOM 699 C GLU A 43 -4.787 -26.556 22.654 1.00 0.00 C ATOM 700 O GLU A 43 -4.035 -27.496 22.389 1.00 0.00 O ATOM 701 CB GLU A 43 -5.379 -24.924 20.837 1.00 0.00 C ATOM 702 CG GLU A 43 -6.116 -24.760 19.517 1.00 0.00 C ATOM 703 CD GLU A 43 -5.176 -24.560 18.345 1.00 0.00 C ATOM 704 OE1 GLU A 43 -3.957 -24.772 18.518 1.00 0.00 O ATOM 705 OE2 GLU A 43 -5.658 -24.190 17.254 1.00 0.00 O ATOM 0 H GLU A 43 -7.407 -24.823 22.235 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.058 -26.950 20.986 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.498 -24.014 21.426 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.314 -25.038 20.637 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.732 -25.641 19.337 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.791 -23.907 19.586 1.00 0.00 H new ATOM 712 N ILE A 44 -4.721 -25.884 23.803 1.00 0.00 N ATOM 713 CA ILE A 44 -3.749 -26.224 24.812 1.00 0.00 C ATOM 714 C ILE A 44 -3.965 -27.655 25.273 1.00 0.00 C ATOM 715 O ILE A 44 -3.017 -28.432 25.385 1.00 0.00 O ATOM 716 CB ILE A 44 -3.828 -25.251 26.000 1.00 0.00 C ATOM 717 CG1 ILE A 44 -3.271 -23.884 25.614 1.00 0.00 C ATOM 718 CG2 ILE A 44 -3.091 -25.814 27.192 1.00 0.00 C ATOM 719 CD1 ILE A 44 -1.876 -23.907 25.030 1.00 0.00 C ATOM 0 H ILE A 44 -5.332 -25.105 24.047 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.752 -26.140 24.380 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.875 -25.124 26.274 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.945 -23.424 24.891 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.269 -23.246 26.498 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.156 -25.113 28.024 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.540 -26.764 27.482 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.044 -25.971 26.932 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.567 -22.891 24.787 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.184 -24.333 25.757 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.870 -24.514 24.125 1.00 0.00 H new ATOM 731 N ASN A 45 -5.223 -28.017 25.497 1.00 0.00 N ATOM 732 CA ASN A 45 -5.543 -29.376 25.893 1.00 0.00 C ATOM 733 C ASN A 45 -4.875 -30.329 24.914 1.00 0.00 C ATOM 734 O ASN A 45 -4.546 -31.467 25.248 1.00 0.00 O ATOM 735 CB ASN A 45 -7.058 -29.597 25.897 1.00 0.00 C ATOM 736 CG ASN A 45 -7.581 -30.007 27.259 1.00 0.00 C ATOM 737 OD1 ASN A 45 -8.370 -29.292 27.876 1.00 0.00 O ATOM 738 ND2 ASN A 45 -7.141 -31.166 27.735 1.00 0.00 N ATOM 0 H ASN A 45 -6.027 -27.395 25.412 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.178 -29.559 26.904 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.556 -28.681 25.581 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.312 -30.366 25.167 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.457 -31.496 28.647 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.487 -31.726 27.189 1.00 0.00 H new ATOM 745 N ALA A 46 -4.671 -29.831 23.695 1.00 0.00 N ATOM 746 CA ALA A 46 -4.032 -30.606 22.640 1.00 0.00 C ATOM 747 C ALA A 46 -2.558 -30.858 22.953 1.00 0.00 C ATOM 748 O ALA A 46 -2.065 -31.965 22.740 1.00 0.00 O ATOM 749 CB ALA A 46 -4.176 -29.894 21.303 1.00 0.00 C ATOM 0 H ALA A 46 -4.942 -28.888 23.416 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.532 -31.573 22.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.694 -30.484 20.523 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.233 -29.774 21.067 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.704 -28.913 21.360 1.00 0.00 H new ATOM 755 N GLN A 47 -1.865 -29.823 23.454 1.00 0.00 N ATOM 756 CA GLN A 47 -0.442 -29.921 23.798 1.00 0.00 C ATOM 757 C GLN A 47 0.008 -31.369 23.972 1.00 0.00 C ATOM 758 O GLN A 47 0.559 -31.972 23.052 1.00 0.00 O ATOM 759 CB GLN A 47 -0.166 -29.151 25.090 1.00 0.00 C ATOM 760 CG GLN A 47 -0.307 -27.645 24.952 1.00 0.00 C ATOM 761 CD GLN A 47 0.047 -26.915 26.233 1.00 0.00 C ATOM 762 OE1 GLN A 47 0.463 -25.661 26.105 1.00 0.00 O flip ATOM 763 NE2 GLN A 47 -0.053 -27.472 27.325 1.00 0.00 N flip ATOM 0 H GLN A 47 -2.272 -28.905 23.630 1.00 0.00 H new ATOM 0 HA GLN A 47 0.122 -29.489 22.971 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.850 -29.501 25.863 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.844 -29.382 25.430 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.338 -27.294 24.146 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.331 -27.402 24.669 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.377 -28.438 27.377 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.188 -26.968 28.178 1.00 0.00 H new ATOM 772 N THR A 48 -0.238 -31.920 25.157 1.00 0.00 N ATOM 773 CA THR A 48 0.137 -33.299 25.458 1.00 0.00 C ATOM 774 C THR A 48 1.637 -33.519 25.280 1.00 0.00 C ATOM 775 O THR A 48 2.373 -33.647 26.258 1.00 0.00 O ATOM 776 CB THR A 48 -0.640 -34.269 24.567 1.00 0.00 C ATOM 777 OG1 THR A 48 -2.002 -34.321 24.952 1.00 0.00 O ATOM 778 CG2 THR A 48 -0.097 -35.681 24.606 1.00 0.00 C ATOM 0 H THR A 48 -0.696 -31.432 25.926 1.00 0.00 H new ATOM 0 HA THR A 48 -0.114 -33.490 26.501 1.00 0.00 H new ATOM 0 HB THR A 48 -0.531 -33.883 23.554 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.483 -34.945 24.370 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.693 -36.318 23.953 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.939 -35.682 24.267 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.146 -36.061 25.626 1.00 0.00 H new ATOM 786 N THR A 49 2.085 -33.568 24.029 1.00 0.00 N ATOM 787 CA THR A 49 3.497 -33.778 23.730 1.00 0.00 C ATOM 788 C THR A 49 4.378 -32.883 24.598 1.00 0.00 C ATOM 789 O THR A 49 4.747 -33.252 25.713 1.00 0.00 O ATOM 790 CB THR A 49 3.773 -33.507 22.249 1.00 0.00 C ATOM 791 OG1 THR A 49 3.547 -32.144 21.939 1.00 0.00 O ATOM 792 CG2 THR A 49 2.915 -34.337 21.319 1.00 0.00 C ATOM 0 H THR A 49 1.491 -33.465 23.207 1.00 0.00 H new ATOM 0 HA THR A 49 3.738 -34.817 23.952 1.00 0.00 H new ATOM 0 HB THR A 49 4.817 -33.780 22.095 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.415 -32.046 20.973 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.161 -34.096 20.285 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.102 -35.396 21.499 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.863 -34.118 21.502 1.00 0.00 H new ATOM 800 N GLY A 50 4.713 -31.707 24.079 1.00 0.00 N ATOM 801 CA GLY A 50 5.548 -30.779 24.817 1.00 0.00 C ATOM 802 C GLY A 50 5.902 -29.556 23.999 1.00 0.00 C ATOM 803 O GLY A 50 5.978 -28.446 24.526 1.00 0.00 O ATOM 0 H GLY A 50 4.420 -31.380 23.158 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.030 -30.470 25.725 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.463 -31.284 25.128 1.00 0.00 H new ATOM 807 N LEU A 51 6.113 -29.759 22.704 1.00 0.00 N ATOM 808 CA LEU A 51 6.453 -28.665 21.804 1.00 0.00 C ATOM 809 C LEU A 51 5.192 -28.046 21.218 1.00 0.00 C ATOM 810 O LEU A 51 5.197 -26.895 20.778 1.00 0.00 O ATOM 811 CB LEU A 51 7.361 -29.163 20.678 1.00 0.00 C ATOM 812 CG LEU A 51 8.648 -29.847 21.139 1.00 0.00 C ATOM 813 CD1 LEU A 51 8.463 -31.356 21.176 1.00 0.00 C ATOM 814 CD2 LEU A 51 9.807 -29.469 20.227 1.00 0.00 C ATOM 0 H LEU A 51 6.054 -30.672 22.254 1.00 0.00 H new ATOM 0 HA LEU A 51 6.985 -27.904 22.376 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.798 -29.862 20.060 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.625 -28.317 20.043 1.00 0.00 H new ATOM 0 HG LEU A 51 8.881 -29.506 22.148 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.388 -31.828 21.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.660 -31.607 21.869 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.208 -31.716 20.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.716 -29.964 20.569 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.585 -29.783 19.207 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.952 -28.389 20.251 1.00 0.00 H new ATOM 826 N ARG A 52 4.109 -28.816 21.218 1.00 0.00 N ATOM 827 CA ARG A 52 2.843 -28.336 20.688 1.00 0.00 C ATOM 828 C ARG A 52 2.390 -27.090 21.439 1.00 0.00 C ATOM 829 O ARG A 52 1.705 -26.234 20.881 1.00 0.00 O ATOM 830 CB ARG A 52 1.773 -29.425 20.777 1.00 0.00 C ATOM 831 CG ARG A 52 1.202 -29.822 19.426 1.00 0.00 C ATOM 832 CD ARG A 52 -0.275 -30.165 19.520 1.00 0.00 C ATOM 833 NE ARG A 52 -0.513 -31.597 19.360 1.00 0.00 N ATOM 834 CZ ARG A 52 -1.611 -32.110 18.811 1.00 0.00 C ATOM 835 NH1 ARG A 52 -2.580 -31.313 18.378 1.00 0.00 N ATOM 836 NH2 ARG A 52 -1.743 -33.425 18.696 1.00 0.00 N ATOM 0 H ARG A 52 4.085 -29.770 21.578 1.00 0.00 H new ATOM 0 HA ARG A 52 2.988 -28.079 19.639 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.201 -30.306 21.255 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.963 -29.076 21.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.342 -29.006 18.718 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.751 -30.679 19.037 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.663 -29.838 20.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.824 -29.618 18.754 1.00 0.00 H new ATOM 0 HE ARG A 52 0.205 -32.242 19.689 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.485 -30.301 18.465 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.419 -31.712 17.958 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.003 -34.043 19.029 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.585 -33.818 18.275 1.00 0.00 H new ATOM 850 N LYS A 53 2.788 -26.986 22.706 1.00 0.00 N ATOM 851 CA LYS A 53 2.427 -25.831 23.516 1.00 0.00 C ATOM 852 C LYS A 53 2.821 -24.549 22.790 1.00 0.00 C ATOM 853 O LYS A 53 1.995 -23.661 22.573 1.00 0.00 O ATOM 854 CB LYS A 53 3.110 -25.894 24.883 1.00 0.00 C ATOM 855 CG LYS A 53 3.177 -27.295 25.464 1.00 0.00 C ATOM 856 CD LYS A 53 3.123 -27.272 26.982 1.00 0.00 C ATOM 857 CE LYS A 53 4.265 -26.457 27.567 1.00 0.00 C ATOM 858 NZ LYS A 53 4.609 -26.896 28.947 1.00 0.00 N ATOM 0 H LYS A 53 3.356 -27.683 23.188 1.00 0.00 H new ATOM 0 HA LYS A 53 1.348 -25.838 23.673 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.122 -25.498 24.793 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.575 -25.247 25.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.349 -27.890 25.079 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.097 -27.781 25.139 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.171 -26.852 27.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.169 -28.292 27.364 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.142 -26.550 26.927 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.990 -25.402 27.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.392 -26.316 29.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.779 -26.784 29.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.896 -27.895 28.932 1.00 0.00 H new ATOM 872 N THR A 54 4.086 -24.465 22.386 1.00 0.00 N ATOM 873 CA THR A 54 4.555 -23.309 21.658 1.00 0.00 C ATOM 874 C THR A 54 3.691 -23.131 20.426 1.00 0.00 C ATOM 875 O THR A 54 3.263 -22.025 20.102 1.00 0.00 O ATOM 876 CB THR A 54 6.015 -23.487 21.256 1.00 0.00 C ATOM 877 OG1 THR A 54 6.736 -24.167 22.269 1.00 0.00 O ATOM 878 CG2 THR A 54 6.713 -22.179 20.992 1.00 0.00 C ATOM 0 H THR A 54 4.793 -25.181 22.553 1.00 0.00 H new ATOM 0 HA THR A 54 4.486 -22.425 22.291 1.00 0.00 H new ATOM 0 HB THR A 54 5.998 -24.068 20.334 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.670 -24.273 21.991 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.749 -22.370 20.710 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.207 -21.654 20.182 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.689 -21.566 21.893 1.00 0.00 H new ATOM 886 N MET A 55 3.410 -24.247 19.759 1.00 0.00 N ATOM 887 CA MET A 55 2.565 -24.231 18.580 1.00 0.00 C ATOM 888 C MET A 55 1.234 -23.601 18.923 1.00 0.00 C ATOM 889 O MET A 55 0.653 -22.873 18.120 1.00 0.00 O ATOM 890 CB MET A 55 2.362 -25.647 18.038 1.00 0.00 C ATOM 891 CG MET A 55 3.463 -26.098 17.093 1.00 0.00 C ATOM 892 SD MET A 55 2.822 -26.755 15.540 1.00 0.00 S ATOM 893 CE MET A 55 1.703 -25.444 15.051 1.00 0.00 C ATOM 0 H MET A 55 3.757 -25.170 20.018 1.00 0.00 H new ATOM 0 HA MET A 55 3.053 -23.642 17.803 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.305 -26.343 18.875 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.405 -25.695 17.518 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.122 -25.256 16.882 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.067 -26.861 17.584 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.738 -25.321 13.969 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.688 -25.700 15.355 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.002 -24.512 15.532 1.00 0.00 H new ATOM 903 N LEU A 56 0.759 -23.880 20.128 1.00 0.00 N ATOM 904 CA LEU A 56 -0.493 -23.343 20.583 1.00 0.00 C ATOM 905 C LEU A 56 -0.538 -21.843 20.458 1.00 0.00 C ATOM 906 O LEU A 56 -1.168 -21.340 19.544 1.00 0.00 O ATOM 907 CB LEU A 56 -0.757 -23.770 22.012 1.00 0.00 C ATOM 908 CG LEU A 56 -1.989 -24.625 22.147 1.00 0.00 C ATOM 909 CD1 LEU A 56 -3.216 -23.727 22.185 1.00 0.00 C ATOM 910 CD2 LEU A 56 -2.036 -25.611 20.983 1.00 0.00 C ATOM 0 H LEU A 56 1.233 -24.480 20.804 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.279 -23.744 19.943 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.105 -24.321 22.387 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.865 -22.884 22.637 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.967 -25.199 23.074 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.112 -24.340 22.283 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.145 -23.050 23.036 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.271 -23.147 21.264 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.925 -26.236 21.071 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.070 -25.062 20.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.147 -26.241 21.003 1.00 0.00 H new ATOM 922 N LEU A 57 0.116 -21.127 21.367 1.00 0.00 N ATOM 923 CA LEU A 57 0.113 -19.678 21.308 1.00 0.00 C ATOM 924 C LEU A 57 0.169 -19.198 19.871 1.00 0.00 C ATOM 925 O LEU A 57 -0.700 -18.457 19.412 1.00 0.00 O ATOM 926 CB LEU A 57 1.273 -19.116 22.093 1.00 0.00 C ATOM 927 CG LEU A 57 0.840 -18.200 23.215 1.00 0.00 C ATOM 928 CD1 LEU A 57 0.458 -16.846 22.651 1.00 0.00 C ATOM 929 CD2 LEU A 57 -0.338 -18.797 23.968 1.00 0.00 C ATOM 0 H LEU A 57 0.647 -21.524 22.142 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.816 -19.321 21.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.856 -19.938 22.508 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.930 -18.568 21.417 1.00 0.00 H new ATOM 0 HG LEU A 57 1.671 -18.082 23.910 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.146 -16.189 23.463 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.316 -16.410 22.140 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.364 -16.965 21.945 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.635 -18.123 24.772 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.175 -18.936 23.283 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.050 -19.760 24.390 1.00 0.00 H new ATOM 941 N LEU A 58 1.190 -19.642 19.162 1.00 0.00 N ATOM 942 CA LEU A 58 1.364 -19.282 17.769 1.00 0.00 C ATOM 943 C LEU A 58 0.135 -19.686 16.959 1.00 0.00 C ATOM 944 O LEU A 58 -0.192 -19.073 15.944 1.00 0.00 O ATOM 945 CB LEU A 58 2.607 -19.969 17.215 1.00 0.00 C ATOM 946 CG LEU A 58 3.847 -19.891 18.106 1.00 0.00 C ATOM 947 CD1 LEU A 58 4.936 -20.802 17.571 1.00 0.00 C ATOM 948 CD2 LEU A 58 4.342 -18.455 18.208 1.00 0.00 C ATOM 0 H LEU A 58 1.915 -20.257 19.532 1.00 0.00 H new ATOM 0 HA LEU A 58 1.487 -18.202 17.694 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.373 -21.019 17.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.846 -19.527 16.248 1.00 0.00 H new ATOM 0 HG LEU A 58 3.580 -20.228 19.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.813 -20.737 18.214 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.574 -21.830 17.553 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.204 -20.494 16.560 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.225 -18.419 18.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.597 -18.087 17.214 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.559 -17.830 18.637 1.00 0.00 H new ATOM 960 N ASP A 59 -0.532 -20.729 17.430 1.00 0.00 N ATOM 961 CA ASP A 59 -1.734 -21.261 16.787 1.00 0.00 C ATOM 962 C ASP A 59 -2.999 -20.535 17.251 1.00 0.00 C ATOM 963 O ASP A 59 -3.985 -20.450 16.519 1.00 0.00 O ATOM 964 CB ASP A 59 -1.866 -22.753 17.105 1.00 0.00 C ATOM 965 CG ASP A 59 -1.174 -23.630 16.080 1.00 0.00 C ATOM 966 OD1 ASP A 59 -0.288 -23.118 15.363 1.00 0.00 O ATOM 967 OD2 ASP A 59 -1.515 -24.828 15.995 1.00 0.00 O ATOM 0 H ASP A 59 -0.257 -21.235 18.272 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.631 -21.107 15.713 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.444 -22.950 18.090 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.922 -23.019 17.152 1.00 0.00 H new ATOM 972 N ILE A 60 -2.961 -20.034 18.476 1.00 0.00 N ATOM 973 CA ILE A 60 -4.093 -19.333 19.073 1.00 0.00 C ATOM 974 C ILE A 60 -4.138 -17.871 18.639 1.00 0.00 C ATOM 975 O ILE A 60 -5.059 -17.450 17.939 1.00 0.00 O ATOM 976 CB ILE A 60 -4.033 -19.389 20.618 1.00 0.00 C ATOM 977 CG1 ILE A 60 -2.986 -20.378 21.095 1.00 0.00 C ATOM 978 CG2 ILE A 60 -5.370 -19.771 21.198 1.00 0.00 C ATOM 979 CD1 ILE A 60 -2.924 -20.501 22.595 1.00 0.00 C ATOM 0 H ILE A 60 -2.146 -20.101 19.086 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.993 -19.839 18.723 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.762 -18.391 20.962 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.198 -21.357 20.665 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.009 -20.071 20.722 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.299 -19.803 22.285 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.118 -19.034 20.904 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.662 -20.753 20.824 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.155 -21.224 22.869 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.682 -19.531 23.030 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.890 -20.837 22.973 1.00 0.00 H new ATOM 991 N LEU A 61 -3.140 -17.106 19.072 1.00 0.00 N ATOM 992 CA LEU A 61 -3.049 -15.685 18.747 1.00 0.00 C ATOM 993 C LEU A 61 -3.691 -15.366 17.399 1.00 0.00 C ATOM 994 O LEU A 61 -4.600 -14.539 17.319 1.00 0.00 O ATOM 995 CB LEU A 61 -1.588 -15.238 18.747 1.00 0.00 C ATOM 996 CG LEU A 61 -0.843 -15.474 20.061 1.00 0.00 C ATOM 997 CD1 LEU A 61 0.342 -14.529 20.181 1.00 0.00 C ATOM 998 CD2 LEU A 61 -1.788 -15.308 21.241 1.00 0.00 C ATOM 0 H LEU A 61 -2.376 -17.450 19.654 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.598 -15.138 19.513 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.063 -15.763 17.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.548 -14.175 18.510 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.463 -16.496 20.066 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.860 -14.712 21.123 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.028 -14.698 19.351 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.011 -13.498 20.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.244 -15.479 22.170 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.197 -14.297 21.241 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.602 -16.028 21.159 1.00 0.00 H new ATOM 1010 N PRO A 62 -3.229 -16.013 16.317 1.00 0.00 N ATOM 1011 CA PRO A 62 -3.761 -15.789 14.974 1.00 0.00 C ATOM 1012 C PRO A 62 -5.283 -15.685 14.955 1.00 0.00 C ATOM 1013 O PRO A 62 -5.859 -15.096 14.040 1.00 0.00 O ATOM 1014 CB PRO A 62 -3.293 -17.020 14.180 1.00 0.00 C ATOM 1015 CG PRO A 62 -2.554 -17.889 15.152 1.00 0.00 C ATOM 1016 CD PRO A 62 -2.155 -17.008 16.300 1.00 0.00 C ATOM 0 HA PRO A 62 -3.410 -14.845 14.558 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.142 -17.552 13.750 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.648 -16.727 13.352 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.184 -18.710 15.495 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.677 -18.335 14.683 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.099 -17.562 17.237 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.179 -16.550 16.141 1.00 0.00 H new ATOM 1102 N ALA A 68 -1.880 -10.251 21.964 1.00 0.00 N ATOM 1103 CA ALA A 68 -1.250 -11.350 22.679 1.00 0.00 C ATOM 1104 C ALA A 68 0.259 -11.356 22.491 1.00 0.00 C ATOM 1105 O ALA A 68 0.968 -12.072 23.190 1.00 0.00 O ATOM 1106 CB ALA A 68 -1.823 -12.669 22.194 1.00 0.00 C ATOM 0 HA ALA A 68 -1.456 -11.216 23.741 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.349 -13.491 22.731 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.898 -12.688 22.376 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.634 -12.777 21.126 1.00 0.00 H new ATOM 1112 N PHE A 69 0.741 -10.581 21.527 1.00 0.00 N ATOM 1113 CA PHE A 69 2.168 -10.534 21.237 1.00 0.00 C ATOM 1114 C PHE A 69 2.970 -9.878 22.358 1.00 0.00 C ATOM 1115 O PHE A 69 3.625 -10.569 23.140 1.00 0.00 O ATOM 1116 CB PHE A 69 2.420 -9.813 19.915 1.00 0.00 C ATOM 1117 CG PHE A 69 3.539 -10.427 19.137 1.00 0.00 C ATOM 1118 CD1 PHE A 69 3.630 -11.802 19.017 1.00 0.00 C ATOM 1119 CD2 PHE A 69 4.505 -9.637 18.543 1.00 0.00 C ATOM 1120 CE1 PHE A 69 4.666 -12.381 18.317 1.00 0.00 C ATOM 1121 CE2 PHE A 69 5.544 -10.208 17.839 1.00 0.00 C ATOM 1122 CZ PHE A 69 5.626 -11.583 17.726 1.00 0.00 C ATOM 0 H PHE A 69 0.168 -9.979 20.936 1.00 0.00 H new ATOM 0 HA PHE A 69 2.511 -11.566 21.157 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.510 -9.832 19.315 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.650 -8.766 20.113 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.881 -12.429 19.477 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.445 -8.562 18.631 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.727 -13.456 18.231 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.293 -9.582 17.377 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.440 -12.033 17.176 1.00 0.00 H new ATOM 1132 N ASP A 70 2.930 -8.549 22.427 1.00 0.00 N ATOM 1133 CA ASP A 70 3.670 -7.816 23.450 1.00 0.00 C ATOM 1134 C ASP A 70 3.715 -8.600 24.756 1.00 0.00 C ATOM 1135 O ASP A 70 4.720 -8.594 25.468 1.00 0.00 O ATOM 1136 CB ASP A 70 3.036 -6.443 23.683 1.00 0.00 C ATOM 1137 CG ASP A 70 3.486 -5.417 22.662 1.00 0.00 C ATOM 1138 OD1 ASP A 70 4.675 -5.036 22.688 1.00 0.00 O ATOM 1139 OD2 ASP A 70 2.650 -4.995 21.835 1.00 0.00 O ATOM 0 H ASP A 70 2.395 -7.960 21.789 1.00 0.00 H new ATOM 0 HA ASP A 70 4.692 -7.679 23.096 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.951 -6.536 23.646 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.292 -6.093 24.683 1.00 0.00 H new ATOM 1144 N THR A 71 2.617 -9.279 25.058 1.00 0.00 N ATOM 1145 CA THR A 71 2.518 -10.074 26.272 1.00 0.00 C ATOM 1146 C THR A 71 3.081 -11.474 26.049 1.00 0.00 C ATOM 1147 O THR A 71 3.784 -12.010 26.906 1.00 0.00 O ATOM 1148 CB THR A 71 1.057 -10.138 26.725 1.00 0.00 C ATOM 1149 OG1 THR A 71 0.485 -8.843 26.745 1.00 0.00 O ATOM 1150 CG2 THR A 71 0.869 -10.740 28.099 1.00 0.00 C ATOM 0 H THR A 71 1.780 -9.294 24.476 1.00 0.00 H new ATOM 0 HA THR A 71 3.110 -9.601 27.056 1.00 0.00 H new ATOM 0 HB THR A 71 0.564 -10.784 25.999 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.449 -8.902 27.035 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.192 -10.751 28.349 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.254 -11.760 28.105 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.409 -10.144 28.834 1.00 0.00 H new ATOM 1158 N PHE A 72 2.788 -12.058 24.891 1.00 0.00 N ATOM 1159 CA PHE A 72 3.294 -13.388 24.575 1.00 0.00 C ATOM 1160 C PHE A 72 4.817 -13.394 24.657 1.00 0.00 C ATOM 1161 O PHE A 72 5.425 -14.404 25.012 1.00 0.00 O ATOM 1162 CB PHE A 72 2.819 -13.845 23.188 1.00 0.00 C ATOM 1163 CG PHE A 72 3.757 -14.807 22.513 1.00 0.00 C ATOM 1164 CD1 PHE A 72 4.067 -16.021 23.104 1.00 0.00 C ATOM 1165 CD2 PHE A 72 4.326 -14.497 21.289 1.00 0.00 C ATOM 1166 CE1 PHE A 72 4.928 -16.908 22.487 1.00 0.00 C ATOM 1167 CE2 PHE A 72 5.187 -15.381 20.667 1.00 0.00 C ATOM 1168 CZ PHE A 72 5.488 -16.588 21.266 1.00 0.00 C ATOM 0 H PHE A 72 2.210 -11.637 24.164 1.00 0.00 H new ATOM 0 HA PHE A 72 2.899 -14.094 25.306 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.840 -14.314 23.286 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.691 -12.970 22.551 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.631 -16.277 24.058 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.094 -13.554 20.816 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.163 -17.851 22.959 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.624 -15.128 19.713 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.160 -17.280 20.781 1.00 0.00 H new ATOM 1178 N LEU A 73 5.428 -12.251 24.346 1.00 0.00 N ATOM 1179 CA LEU A 73 6.879 -12.129 24.410 1.00 0.00 C ATOM 1180 C LEU A 73 7.326 -11.936 25.846 1.00 0.00 C ATOM 1181 O LEU A 73 8.341 -12.478 26.267 1.00 0.00 O ATOM 1182 CB LEU A 73 7.381 -10.954 23.570 1.00 0.00 C ATOM 1183 CG LEU A 73 6.899 -10.922 22.126 1.00 0.00 C ATOM 1184 CD1 LEU A 73 6.226 -9.595 21.832 1.00 0.00 C ATOM 1185 CD2 LEU A 73 8.065 -11.147 21.178 1.00 0.00 C ATOM 0 H LEU A 73 4.943 -11.404 24.050 1.00 0.00 H new ATOM 0 HA LEU A 73 7.301 -13.050 24.009 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.076 -10.027 24.056 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.471 -10.971 23.570 1.00 0.00 H new ATOM 0 HG LEU A 73 6.174 -11.722 21.978 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.885 -9.582 20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.372 -9.465 22.497 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.937 -8.784 21.990 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.707 -11.122 20.149 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.808 -10.363 21.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.517 -12.118 21.381 1.00 0.00 H new ATOM 1197 N ASP A 74 6.554 -11.172 26.602 1.00 0.00 N ATOM 1198 CA ASP A 74 6.882 -10.934 27.999 1.00 0.00 C ATOM 1199 C ASP A 74 6.995 -12.266 28.730 1.00 0.00 C ATOM 1200 O ASP A 74 7.576 -12.349 29.812 1.00 0.00 O ATOM 1201 CB ASP A 74 5.826 -10.048 28.661 1.00 0.00 C ATOM 1202 CG ASP A 74 6.410 -8.754 29.194 1.00 0.00 C ATOM 1203 OD1 ASP A 74 6.520 -7.786 28.413 1.00 0.00 O ATOM 1204 OD2 ASP A 74 6.758 -8.710 30.393 1.00 0.00 O ATOM 0 H ASP A 74 5.705 -10.710 26.277 1.00 0.00 H new ATOM 0 HA ASP A 74 7.838 -10.413 28.053 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.042 -9.820 27.939 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.356 -10.596 29.478 1.00 0.00 H new ATOM 1209 N SER A 75 6.440 -13.311 28.118 1.00 0.00 N ATOM 1210 CA SER A 75 6.482 -14.651 28.693 1.00 0.00 C ATOM 1211 C SER A 75 7.719 -15.399 28.227 1.00 0.00 C ATOM 1212 O SER A 75 8.297 -16.179 28.977 1.00 0.00 O ATOM 1213 CB SER A 75 5.247 -15.450 28.285 1.00 0.00 C ATOM 1214 OG SER A 75 5.328 -15.852 26.928 1.00 0.00 O ATOM 0 H SER A 75 5.955 -13.253 27.222 1.00 0.00 H new ATOM 0 HA SER A 75 6.508 -14.542 29.777 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.150 -16.328 28.923 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.352 -14.846 28.436 1.00 0.00 H new ATOM 0 HG SER A 75 5.083 -15.100 26.349 1.00 0.00 H new ATOM 1220 N LEU A 76 8.093 -15.155 26.974 1.00 0.00 N ATOM 1221 CA LEU A 76 9.242 -15.796 26.342 1.00 0.00 C ATOM 1222 C LEU A 76 10.292 -16.281 27.331 1.00 0.00 C ATOM 1223 O LEU A 76 11.335 -15.676 27.475 1.00 0.00 O ATOM 1224 CB LEU A 76 9.863 -14.825 25.351 1.00 0.00 C ATOM 1225 CG LEU A 76 9.205 -14.852 23.987 1.00 0.00 C ATOM 1226 CD1 LEU A 76 9.713 -13.723 23.110 1.00 0.00 C ATOM 1227 CD2 LEU A 76 9.461 -16.195 23.358 1.00 0.00 C ATOM 0 H LEU A 76 7.603 -14.501 26.364 1.00 0.00 H new ATOM 0 HA LEU A 76 8.876 -16.689 25.835 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.801 -13.815 25.756 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.922 -15.059 25.240 1.00 0.00 H new ATOM 0 HG LEU A 76 8.131 -14.703 24.096 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.223 -13.769 22.138 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.492 -12.767 23.584 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.790 -13.822 22.978 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.993 -16.231 22.374 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.535 -16.350 23.255 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.040 -16.978 23.989 1.00 0.00 H new ATOM 1239 N GLN A 77 10.020 -17.390 27.993 1.00 0.00 N ATOM 1240 CA GLN A 77 10.958 -17.953 28.961 1.00 0.00 C ATOM 1241 C GLN A 77 12.425 -17.775 28.535 1.00 0.00 C ATOM 1242 O GLN A 77 13.317 -17.760 29.384 1.00 0.00 O ATOM 1243 CB GLN A 77 10.658 -19.436 29.177 1.00 0.00 C ATOM 1244 CG GLN A 77 9.734 -19.701 30.354 1.00 0.00 C ATOM 1245 CD GLN A 77 10.418 -20.460 31.475 1.00 0.00 C ATOM 1246 OE1 GLN A 77 9.921 -21.487 31.937 1.00 0.00 O ATOM 1247 NE2 GLN A 77 11.564 -19.956 31.918 1.00 0.00 N ATOM 0 H GLN A 77 9.158 -17.923 27.882 1.00 0.00 H new ATOM 0 HA GLN A 77 10.823 -17.405 29.894 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.207 -19.843 28.272 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.596 -19.969 29.334 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.360 -18.752 30.738 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.869 -20.269 30.011 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.939 -19.102 31.505 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.069 -20.423 32.671 1.00 0.00 H new ATOM 1256 N GLU A 78 12.680 -17.665 27.230 1.00 0.00 N ATOM 1257 CA GLU A 78 14.052 -17.518 26.730 1.00 0.00 C ATOM 1258 C GLU A 78 14.266 -16.205 25.978 1.00 0.00 C ATOM 1259 O GLU A 78 15.257 -16.047 25.266 1.00 0.00 O ATOM 1260 CB GLU A 78 14.386 -18.682 25.809 1.00 0.00 C ATOM 1261 CG GLU A 78 13.159 -19.402 25.276 1.00 0.00 C ATOM 1262 CD GLU A 78 13.509 -20.559 24.362 1.00 0.00 C ATOM 1263 OE1 GLU A 78 14.594 -21.151 24.541 1.00 0.00 O ATOM 1264 OE2 GLU A 78 12.698 -20.875 23.466 1.00 0.00 O ATOM 0 H GLU A 78 11.963 -17.674 26.504 1.00 0.00 H new ATOM 0 HA GLU A 78 14.712 -17.511 27.598 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.975 -18.313 24.969 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.010 -19.394 26.348 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.568 -19.772 26.114 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.534 -18.693 24.734 1.00 0.00 H new ATOM 1271 N PHE A 79 13.321 -15.287 26.130 1.00 0.00 N ATOM 1272 CA PHE A 79 13.362 -13.974 25.459 1.00 0.00 C ATOM 1273 C PHE A 79 14.736 -13.607 24.887 1.00 0.00 C ATOM 1274 O PHE A 79 14.861 -13.365 23.687 1.00 0.00 O ATOM 1275 CB PHE A 79 12.911 -12.861 26.399 1.00 0.00 C ATOM 1276 CG PHE A 79 12.177 -13.356 27.601 1.00 0.00 C ATOM 1277 CD1 PHE A 79 12.834 -14.055 28.599 1.00 0.00 C ATOM 1278 CD2 PHE A 79 10.814 -13.163 27.709 1.00 0.00 C ATOM 1279 CE1 PHE A 79 12.141 -14.546 29.685 1.00 0.00 C ATOM 1280 CE2 PHE A 79 10.113 -13.653 28.788 1.00 0.00 C ATOM 1281 CZ PHE A 79 10.777 -14.348 29.781 1.00 0.00 C ATOM 0 H PHE A 79 12.500 -15.422 26.720 1.00 0.00 H new ATOM 0 HA PHE A 79 12.673 -14.069 24.620 1.00 0.00 H new ATOM 0 HB2 PHE A 79 13.784 -12.295 26.724 1.00 0.00 H new ATOM 0 HB3 PHE A 79 12.270 -12.171 25.851 1.00 0.00 H new ATOM 0 HD1 PHE A 79 13.899 -14.217 28.526 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.290 -12.620 26.936 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.664 -15.085 30.461 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.047 -13.495 28.858 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.232 -14.735 30.629 1.00 0.00 H new ATOM 1291 N PRO A 80 15.779 -13.532 25.736 1.00 0.00 N ATOM 1292 CA PRO A 80 17.127 -13.166 25.310 1.00 0.00 C ATOM 1293 C PRO A 80 17.452 -13.597 23.884 1.00 0.00 C ATOM 1294 O PRO A 80 18.237 -12.945 23.197 1.00 0.00 O ATOM 1295 CB PRO A 80 17.990 -13.911 26.319 1.00 0.00 C ATOM 1296 CG PRO A 80 17.194 -13.876 27.584 1.00 0.00 C ATOM 1297 CD PRO A 80 15.736 -13.777 27.187 1.00 0.00 C ATOM 0 HA PRO A 80 17.278 -12.087 25.290 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.182 -14.935 25.998 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.959 -13.429 26.446 1.00 0.00 H new ATOM 0 HG2 PRO A 80 17.372 -14.773 28.177 1.00 0.00 H new ATOM 0 HG3 PRO A 80 17.485 -13.025 28.199 1.00 0.00 H new ATOM 0 HD2 PRO A 80 15.195 -14.694 27.421 1.00 0.00 H new ATOM 0 HD3 PRO A 80 15.233 -12.966 27.714 1.00 0.00 H new ATOM 1305 N TRP A 81 16.851 -14.694 23.443 1.00 0.00 N ATOM 1306 CA TRP A 81 17.090 -15.196 22.096 1.00 0.00 C ATOM 1307 C TRP A 81 15.783 -15.400 21.334 1.00 0.00 C ATOM 1308 O TRP A 81 15.756 -15.329 20.104 1.00 0.00 O ATOM 1309 CB TRP A 81 17.865 -16.509 22.154 1.00 0.00 C ATOM 1310 CG TRP A 81 17.830 -17.276 20.870 1.00 0.00 C ATOM 1311 CD1 TRP A 81 16.771 -17.967 20.359 1.00 0.00 C ATOM 1312 CD2 TRP A 81 18.901 -17.432 19.934 1.00 0.00 C ATOM 1313 NE1 TRP A 81 17.116 -18.543 19.160 1.00 0.00 N ATOM 1314 CE2 TRP A 81 18.420 -18.229 18.878 1.00 0.00 C ATOM 1315 CE3 TRP A 81 20.221 -16.976 19.886 1.00 0.00 C ATOM 1316 CZ2 TRP A 81 19.212 -18.578 17.788 1.00 0.00 C ATOM 1317 CZ3 TRP A 81 21.007 -17.322 18.803 1.00 0.00 C ATOM 1318 CH2 TRP A 81 20.500 -18.116 17.767 1.00 0.00 C ATOM 0 H TRP A 81 16.198 -15.251 23.994 1.00 0.00 H new ATOM 0 HA TRP A 81 17.679 -14.449 21.563 1.00 0.00 H new ATOM 0 HB2 TRP A 81 18.902 -16.299 22.415 1.00 0.00 H new ATOM 0 HB3 TRP A 81 17.455 -17.130 22.951 1.00 0.00 H new ATOM 0 HD1 TRP A 81 15.802 -18.050 20.829 1.00 0.00 H new ATOM 0 HE1 TRP A 81 16.502 -19.111 18.576 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.620 -16.364 20.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 18.824 -19.191 16.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 22.028 -16.974 18.755 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.139 -18.369 16.934 1.00 0.00 H new ATOM 1329 N VAL A 82 14.701 -15.653 22.065 1.00 0.00 N ATOM 1330 CA VAL A 82 13.403 -15.869 21.441 1.00 0.00 C ATOM 1331 C VAL A 82 12.687 -14.547 21.207 1.00 0.00 C ATOM 1332 O VAL A 82 12.025 -14.362 20.188 1.00 0.00 O ATOM 1333 CB VAL A 82 12.508 -16.767 22.310 1.00 0.00 C ATOM 1334 CG1 VAL A 82 13.145 -18.132 22.514 1.00 0.00 C ATOM 1335 CG2 VAL A 82 12.253 -16.093 23.639 1.00 0.00 C ATOM 0 H VAL A 82 14.698 -15.713 23.083 1.00 0.00 H new ATOM 0 HA VAL A 82 13.587 -16.361 20.486 1.00 0.00 H new ATOM 0 HB VAL A 82 11.557 -16.918 21.799 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.493 -18.749 23.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.291 -18.614 21.547 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.109 -18.013 23.009 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.618 -16.731 24.254 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.201 -15.924 24.149 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.755 -15.138 23.473 1.00 0.00 H new ATOM 1345 N ARG A 83 12.827 -13.630 22.159 1.00 0.00 N ATOM 1346 CA ARG A 83 12.195 -12.321 22.059 1.00 0.00 C ATOM 1347 C ARG A 83 12.855 -11.501 20.961 1.00 0.00 C ATOM 1348 O ARG A 83 12.175 -10.880 20.144 1.00 0.00 O ATOM 1349 CB ARG A 83 12.261 -11.592 23.412 1.00 0.00 C ATOM 1350 CG ARG A 83 12.898 -10.209 23.363 1.00 0.00 C ATOM 1351 CD ARG A 83 12.497 -9.368 24.564 1.00 0.00 C ATOM 1352 NE ARG A 83 11.070 -9.060 24.562 1.00 0.00 N ATOM 1353 CZ ARG A 83 10.514 -8.137 25.341 1.00 0.00 C ATOM 1354 NH1 ARG A 83 11.261 -7.448 26.194 1.00 0.00 N ATOM 1355 NH2 ARG A 83 9.211 -7.905 25.268 1.00 0.00 N ATOM 0 H ARG A 83 13.373 -13.770 23.009 1.00 0.00 H new ATOM 0 HA ARG A 83 11.145 -12.453 21.798 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.250 -11.497 23.807 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.821 -12.210 24.114 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.983 -10.308 23.333 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.599 -9.702 22.446 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.752 -9.900 25.481 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.069 -8.440 24.564 1.00 0.00 H new ATOM 0 HE ARG A 83 10.466 -9.582 23.927 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.264 -7.626 26.253 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.833 -6.740 26.791 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.635 -8.435 24.614 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.785 -7.197 25.866 1.00 0.00 H new ATOM 1369 N GLU A 84 14.181 -11.513 20.935 1.00 0.00 N ATOM 1370 CA GLU A 84 14.913 -10.781 19.925 1.00 0.00 C ATOM 1371 C GLU A 84 14.554 -11.311 18.553 1.00 0.00 C ATOM 1372 O GLU A 84 14.190 -10.549 17.663 1.00 0.00 O ATOM 1373 CB GLU A 84 16.414 -10.910 20.170 1.00 0.00 C ATOM 1374 CG GLU A 84 16.805 -10.786 21.632 1.00 0.00 C ATOM 1375 CD GLU A 84 18.093 -10.010 21.828 1.00 0.00 C ATOM 1376 OE1 GLU A 84 18.095 -8.788 21.568 1.00 0.00 O ATOM 1377 OE2 GLU A 84 19.100 -10.623 22.242 1.00 0.00 O ATOM 0 H GLU A 84 14.764 -12.020 21.601 1.00 0.00 H new ATOM 0 HA GLU A 84 14.644 -9.726 19.978 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.754 -11.875 19.792 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.934 -10.142 19.597 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.001 -10.293 22.178 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.917 -11.782 22.060 1.00 0.00 H new ATOM 1384 N LYS A 85 14.641 -12.625 18.398 1.00 0.00 N ATOM 1385 CA LYS A 85 14.309 -13.267 17.135 1.00 0.00 C ATOM 1386 C LYS A 85 12.845 -13.033 16.782 1.00 0.00 C ATOM 1387 O LYS A 85 12.456 -13.105 15.615 1.00 0.00 O ATOM 1388 CB LYS A 85 14.592 -14.768 17.211 1.00 0.00 C ATOM 1389 CG LYS A 85 16.017 -15.137 16.839 1.00 0.00 C ATOM 1390 CD LYS A 85 17.026 -14.293 17.600 1.00 0.00 C ATOM 1391 CE LYS A 85 17.267 -12.960 16.910 1.00 0.00 C ATOM 1392 NZ LYS A 85 18.718 -12.685 16.723 1.00 0.00 N ATOM 0 H LYS A 85 14.939 -13.267 19.132 1.00 0.00 H new ATOM 0 HA LYS A 85 14.931 -12.827 16.355 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.388 -15.117 18.223 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.905 -15.293 16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.189 -16.192 17.052 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.162 -15.001 15.767 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.666 -14.120 18.614 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.967 -14.836 17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.769 -12.958 15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.819 -12.160 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.839 -11.767 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.189 -12.661 17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.141 -13.434 16.139 1.00 0.00 H new ATOM 1406 N LEU A 86 12.034 -12.757 17.798 1.00 0.00 N ATOM 1407 CA LEU A 86 10.612 -12.523 17.593 1.00 0.00 C ATOM 1408 C LEU A 86 10.342 -11.117 17.094 1.00 0.00 C ATOM 1409 O LEU A 86 9.892 -10.920 15.966 1.00 0.00 O ATOM 1410 CB LEU A 86 9.837 -12.761 18.884 1.00 0.00 C ATOM 1411 CG LEU A 86 8.791 -13.855 18.770 1.00 0.00 C ATOM 1412 CD1 LEU A 86 7.836 -13.836 19.954 1.00 0.00 C ATOM 1413 CD2 LEU A 86 8.042 -13.697 17.461 1.00 0.00 C ATOM 0 H LEU A 86 12.338 -12.690 18.769 1.00 0.00 H new ATOM 0 HA LEU A 86 10.277 -13.228 16.832 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.538 -13.021 19.677 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.349 -11.833 19.182 1.00 0.00 H new ATOM 0 HG LEU A 86 9.291 -14.823 18.781 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.100 -14.632 19.841 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.397 -13.989 20.876 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.326 -12.873 19.995 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.290 -14.481 17.375 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.555 -12.722 17.436 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.742 -13.774 16.629 1.00 0.00 H new ATOM 1425 N LYS A 87 10.623 -10.141 17.940 1.00 0.00 N ATOM 1426 CA LYS A 87 10.412 -8.753 17.581 1.00 0.00 C ATOM 1427 C LYS A 87 11.126 -8.464 16.282 1.00 0.00 C ATOM 1428 O LYS A 87 10.767 -7.537 15.557 1.00 0.00 O ATOM 1429 CB LYS A 87 10.895 -7.825 18.696 1.00 0.00 C ATOM 1430 CG LYS A 87 9.786 -7.358 19.625 1.00 0.00 C ATOM 1431 CD LYS A 87 10.318 -7.073 21.020 1.00 0.00 C ATOM 1432 CE LYS A 87 10.585 -5.589 21.222 1.00 0.00 C ATOM 1433 NZ LYS A 87 9.333 -4.785 21.154 1.00 0.00 N ATOM 0 H LYS A 87 10.997 -10.285 18.878 1.00 0.00 H new ATOM 0 HA LYS A 87 9.346 -8.571 17.448 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.655 -8.341 19.283 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.374 -6.954 18.250 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.323 -6.458 19.219 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.008 -8.120 19.679 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.599 -7.419 21.763 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.238 -7.635 21.182 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.063 -5.435 22.189 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.283 -5.239 20.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.452 -3.910 21.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.128 -4.546 20.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.544 -5.337 21.547 1.00 0.00 H new ATOM 1447 N LYS A 88 12.111 -9.296 15.962 1.00 0.00 N ATOM 1448 CA LYS A 88 12.817 -9.138 14.715 1.00 0.00 C ATOM 1449 C LYS A 88 11.875 -9.545 13.594 1.00 0.00 C ATOM 1450 O LYS A 88 11.821 -8.914 12.539 1.00 0.00 O ATOM 1451 CB LYS A 88 14.110 -9.969 14.707 1.00 0.00 C ATOM 1452 CG LYS A 88 14.186 -11.034 13.623 1.00 0.00 C ATOM 1453 CD LYS A 88 15.011 -12.215 14.088 1.00 0.00 C ATOM 1454 CE LYS A 88 15.926 -12.728 12.988 1.00 0.00 C ATOM 1455 NZ LYS A 88 16.002 -14.215 12.979 1.00 0.00 N ATOM 0 H LYS A 88 12.428 -10.072 16.544 1.00 0.00 H new ATOM 0 HA LYS A 88 13.120 -8.100 14.577 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.957 -9.293 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.219 -10.452 15.678 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.181 -11.366 13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.626 -10.610 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.608 -11.924 14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.348 -13.017 14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.564 -12.377 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.925 -12.314 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.338 -14.540 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.662 -14.533 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.059 -14.612 13.164 1.00 0.00 H new ATOM 1469 N ALA A 89 11.114 -10.607 13.859 1.00 0.00 N ATOM 1470 CA ALA A 89 10.143 -11.110 12.905 1.00 0.00 C ATOM 1471 C ALA A 89 8.913 -10.213 12.877 1.00 0.00 C ATOM 1472 O ALA A 89 8.081 -10.315 11.978 1.00 0.00 O ATOM 1473 CB ALA A 89 9.748 -12.535 13.256 1.00 0.00 C ATOM 0 H ALA A 89 11.157 -11.133 14.732 1.00 0.00 H new ATOM 0 HA ALA A 89 10.597 -11.108 11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.019 -12.899 12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.631 -13.173 13.234 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.310 -12.556 14.254 1.00 0.00 H new ATOM 1479 N ARG A 90 8.813 -9.314 13.857 1.00 0.00 N ATOM 1480 CA ARG A 90 7.703 -8.387 13.923 1.00 0.00 C ATOM 1481 C ARG A 90 7.976 -7.285 12.931 1.00 0.00 C ATOM 1482 O ARG A 90 7.101 -6.838 12.189 1.00 0.00 O ATOM 1483 CB ARG A 90 7.570 -7.826 15.348 1.00 0.00 C ATOM 1484 CG ARG A 90 7.226 -6.345 15.410 1.00 0.00 C ATOM 1485 CD ARG A 90 6.285 -6.041 16.563 1.00 0.00 C ATOM 1486 NE ARG A 90 5.991 -4.615 16.669 1.00 0.00 N ATOM 1487 CZ ARG A 90 6.742 -3.758 17.353 1.00 0.00 C ATOM 1488 NH1 ARG A 90 7.836 -4.182 17.970 1.00 0.00 N ATOM 1489 NH2 ARG A 90 6.401 -2.479 17.416 1.00 0.00 N ATOM 0 H ARG A 90 9.492 -9.215 14.612 1.00 0.00 H new ATOM 0 HA ARG A 90 6.764 -8.884 13.679 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.800 -8.388 15.876 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.507 -7.992 15.880 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.140 -5.762 15.522 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.765 -6.038 14.471 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.355 -6.593 16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.730 -6.390 17.495 1.00 0.00 H new ATOM 0 HE ARG A 90 5.164 -4.257 16.192 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.101 -5.166 17.920 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.413 -3.525 18.495 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.561 -2.151 16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.978 -1.823 17.941 1.00 0.00 H new ATOM 1503 N GLU A 91 9.229 -6.885 12.926 1.00 0.00 N ATOM 1504 CA GLU A 91 9.716 -5.860 12.035 1.00 0.00 C ATOM 1505 C GLU A 91 9.665 -6.352 10.591 1.00 0.00 C ATOM 1506 O GLU A 91 9.423 -5.579 9.664 1.00 0.00 O ATOM 1507 CB GLU A 91 11.147 -5.522 12.428 1.00 0.00 C ATOM 1508 CG GLU A 91 11.243 -4.492 13.539 1.00 0.00 C ATOM 1509 CD GLU A 91 11.667 -3.126 13.036 1.00 0.00 C ATOM 1510 OE1 GLU A 91 11.110 -2.670 12.015 1.00 0.00 O ATOM 1511 OE2 GLU A 91 12.555 -2.512 13.663 1.00 0.00 O ATOM 0 H GLU A 91 9.943 -7.267 13.546 1.00 0.00 H new ATOM 0 HA GLU A 91 9.091 -4.970 12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.654 -6.434 12.744 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.678 -5.150 11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.276 -4.408 14.035 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.957 -4.837 14.288 1.00 0.00 H new ATOM 1518 N GLU A 92 9.901 -7.651 10.415 1.00 0.00 N ATOM 1519 CA GLU A 92 9.890 -8.267 9.093 1.00 0.00 C ATOM 1520 C GLU A 92 8.505 -8.798 8.729 1.00 0.00 C ATOM 1521 O GLU A 92 7.905 -8.370 7.743 1.00 0.00 O ATOM 1522 CB GLU A 92 10.910 -9.406 9.036 1.00 0.00 C ATOM 1523 CG GLU A 92 12.086 -9.125 8.115 1.00 0.00 C ATOM 1524 CD GLU A 92 11.884 -9.690 6.723 1.00 0.00 C ATOM 1525 OE1 GLU A 92 11.007 -10.564 6.558 1.00 0.00 O ATOM 1526 OE2 GLU A 92 12.603 -9.259 5.797 1.00 0.00 O ATOM 0 H GLU A 92 10.103 -8.299 11.177 1.00 0.00 H new ATOM 0 HA GLU A 92 10.157 -7.498 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.285 -9.598 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.409 -10.315 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.240 -8.048 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.991 -9.550 8.548 1.00 0.00 H new ATOM 1533 N ALA A 93 8.007 -9.745 9.523 1.00 0.00 N ATOM 1534 CA ALA A 93 6.700 -10.345 9.272 1.00 0.00 C ATOM 1535 C ALA A 93 5.616 -9.280 9.141 1.00 0.00 C ATOM 1536 O ALA A 93 4.574 -9.516 8.529 1.00 0.00 O ATOM 1537 CB ALA A 93 6.346 -11.336 10.375 1.00 0.00 C ATOM 0 H ALA A 93 8.489 -10.112 10.344 1.00 0.00 H new ATOM 0 HA ALA A 93 6.756 -10.882 8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.369 -11.773 10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.097 -12.125 10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.319 -10.819 11.334 1.00 0.00 H new ATOM 1543 N MET A 94 5.867 -8.106 9.711 1.00 0.00 N ATOM 1544 CA MET A 94 4.907 -7.010 9.647 1.00 0.00 C ATOM 1545 C MET A 94 4.563 -6.676 8.200 1.00 0.00 C ATOM 1546 O MET A 94 3.405 -6.419 7.869 1.00 0.00 O ATOM 1547 CB MET A 94 5.463 -5.770 10.350 1.00 0.00 C ATOM 1548 CG MET A 94 4.737 -4.485 9.982 1.00 0.00 C ATOM 1549 SD MET A 94 5.640 -3.007 10.481 1.00 0.00 S ATOM 1550 CE MET A 94 4.770 -1.749 9.549 1.00 0.00 C ATOM 0 H MET A 94 6.724 -7.890 10.221 1.00 0.00 H new ATOM 0 HA MET A 94 3.997 -7.328 10.157 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.402 -5.916 11.428 1.00 0.00 H new ATOM 0 HB3 MET A 94 6.519 -5.665 10.102 1.00 0.00 H new ATOM 0 HG2 MET A 94 4.575 -4.460 8.904 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.754 -4.481 10.452 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.213 -0.774 9.752 1.00 0.00 H new ATOM 0 HE2 MET A 94 4.846 -1.968 8.484 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.721 -1.739 9.843 1.00 0.00 H new