USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.77 K(o=0.99,f=-9.8!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.779 USER MOD Set 2.1: A 64 SER OG : rot -93:sc= 0.681 USER MOD Set 2.2: A 65 SER OG : rot 62:sc= 0.23 USER MOD Set 3.1: A 37 HIS : no HD1:sc= -1.88 K(o=-5.6,f=-4.4) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -3.69 K(o=-5.6,f=-4.4) USER MOD Single : A 7 SER OG : rot 33:sc= 0.219 USER MOD Single : A 8 MET CE :methyl -122:sc= -1.12 (180deg=-4.23!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 82:sc=0.000946 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.0377 (180deg=-0.0377) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.058) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0277) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.0872 (180deg=-0.441) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.52! C(o=-1.5!,f=-4.6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.0674 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc=-0.00907 (180deg=-0.0953) USER MOD Single : A 93 SER OG : rot -139:sc= -0.217 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 161:sc= -0.0237 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.486 -6.211 -4.612 1.00 0.00 N ATOM 70 CA SER A 7 -16.173 -5.698 -4.796 1.00 0.00 C ATOM 71 C SER A 7 -15.898 -4.682 -3.710 1.00 0.00 C ATOM 72 O SER A 7 -16.745 -3.823 -3.397 1.00 0.00 O ATOM 73 CB SER A 7 -16.022 -5.107 -6.174 1.00 0.00 C ATOM 74 OG SER A 7 -16.464 -6.013 -7.170 1.00 0.00 O ATOM 0 HA SER A 7 -15.440 -6.501 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.594 -4.181 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.978 -4.850 -6.350 1.00 0.00 H new ATOM 0 HG SER A 7 -17.208 -6.546 -6.820 1.00 0.00 H new ATOM 80 N MET A 8 -14.759 -4.789 -3.141 1.00 0.00 N ATOM 81 CA MET A 8 -14.438 -4.064 -1.954 1.00 0.00 C ATOM 82 C MET A 8 -13.392 -3.053 -2.164 1.00 0.00 C ATOM 83 O MET A 8 -12.419 -3.309 -2.830 1.00 0.00 O ATOM 84 CB MET A 8 -13.989 -5.017 -0.912 1.00 0.00 C ATOM 85 CG MET A 8 -14.959 -6.123 -0.676 1.00 0.00 C ATOM 86 SD MET A 8 -14.501 -7.151 0.670 1.00 0.00 S ATOM 87 CE MET A 8 -15.848 -8.287 0.622 1.00 0.00 C ATOM 0 H MET A 8 -14.007 -5.388 -3.483 1.00 0.00 H new ATOM 0 HA MET A 8 -15.340 -3.535 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.028 -5.440 -1.205 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.828 -4.477 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.946 -5.701 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.040 -6.728 -1.579 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.366 -8.278 1.581 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.541 -7.997 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.471 -9.290 0.423 1.00 0.00 H new ATOM 97 N LYS A 9 -13.592 -1.906 -1.600 1.00 0.00 N ATOM 98 CA LYS A 9 -12.625 -0.867 -1.661 1.00 0.00 C ATOM 99 C LYS A 9 -11.837 -0.915 -0.346 1.00 0.00 C ATOM 100 O LYS A 9 -12.281 -0.429 0.696 1.00 0.00 O ATOM 101 CB LYS A 9 -13.298 0.481 -1.895 1.00 0.00 C ATOM 102 CG LYS A 9 -12.384 1.603 -2.267 1.00 0.00 C ATOM 103 CD LYS A 9 -13.178 2.874 -2.423 1.00 0.00 C ATOM 104 CE LYS A 9 -12.420 3.906 -3.203 1.00 0.00 C ATOM 105 NZ LYS A 9 -13.197 5.157 -3.346 1.00 0.00 N ATOM 0 H LYS A 9 -14.437 -1.666 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.942 -1.003 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.040 0.364 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.837 0.760 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.620 1.732 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.866 1.370 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.120 2.656 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.427 3.271 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.475 4.119 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.178 3.512 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.644 5.849 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.088 4.957 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.406 5.545 -2.404 1.00 0.00 H new ATOM 119 N ILE A 10 -10.709 -1.555 -0.421 1.00 0.00 N ATOM 120 CA ILE A 10 -9.876 -1.855 0.700 1.00 0.00 C ATOM 121 C ILE A 10 -8.603 -1.026 0.669 1.00 0.00 C ATOM 122 O ILE A 10 -8.015 -0.837 -0.394 1.00 0.00 O ATOM 123 CB ILE A 10 -9.525 -3.350 0.612 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.789 -4.184 0.768 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.457 -3.752 1.608 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.616 -5.614 0.382 1.00 0.00 C ATOM 0 H ILE A 10 -10.330 -1.896 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.396 -1.622 1.629 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.099 -3.541 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.120 -4.135 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.580 -3.746 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.246 -4.816 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.548 -3.181 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.808 -3.548 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.558 -6.145 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.315 -5.675 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.848 -6.069 1.008 1.00 0.00 H new ATOM 138 N ARG A 11 -8.196 -0.531 1.820 1.00 0.00 N ATOM 139 CA ARG A 11 -6.951 0.148 1.968 1.00 0.00 C ATOM 140 C ARG A 11 -5.835 -0.814 1.835 1.00 0.00 C ATOM 141 O ARG A 11 -5.836 -1.871 2.443 1.00 0.00 O ATOM 142 CB ARG A 11 -6.832 0.783 3.350 1.00 0.00 C ATOM 143 CG ARG A 11 -7.534 2.118 3.486 1.00 0.00 C ATOM 144 CD ARG A 11 -7.269 2.713 4.856 1.00 0.00 C ATOM 145 NE ARG A 11 -7.716 1.817 5.937 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.038 1.566 7.070 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.902 2.206 7.338 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.515 0.690 7.949 1.00 0.00 N ATOM 0 H ARG A 11 -8.737 -0.596 2.682 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.907 0.917 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.240 0.094 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.776 0.915 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.185 2.801 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.606 1.990 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.203 2.912 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.782 3.671 4.942 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.614 1.349 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.538 2.895 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.396 2.007 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.395 0.209 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.001 0.499 8.809 1.00 0.00 H new ATOM 162 N VAL A 12 -4.922 -0.486 1.034 1.00 0.00 N ATOM 163 CA VAL A 12 -3.798 -1.283 0.833 1.00 0.00 C ATOM 164 C VAL A 12 -2.593 -0.520 1.288 1.00 0.00 C ATOM 165 O VAL A 12 -2.446 0.640 0.863 1.00 0.00 O ATOM 166 CB VAL A 12 -3.629 -1.520 -0.701 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.472 -2.470 -0.969 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.911 -2.087 -1.288 1.00 0.00 C ATOM 0 H VAL A 12 -4.933 0.371 0.481 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.905 -2.224 1.373 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.413 -0.563 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.369 -2.624 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.551 -2.042 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.666 -3.426 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.781 -2.248 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.144 -3.035 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.728 -1.385 -1.123 1.00 0.00 H new ATOM 178 N GLU A 13 -1.772 -1.068 2.169 1.00 0.00 N ATOM 179 CA GLU A 13 -0.515 -0.431 2.372 1.00 0.00 C ATOM 180 C GLU A 13 0.445 -0.972 1.352 1.00 0.00 C ATOM 181 O GLU A 13 0.366 -2.130 0.992 1.00 0.00 O ATOM 182 CB GLU A 13 0.240 -0.579 3.707 1.00 0.00 C ATOM 183 CG GLU A 13 -0.374 0.201 4.864 1.00 0.00 C ATOM 184 CD GLU A 13 0.420 0.065 6.147 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.664 0.162 6.109 1.00 0.00 O ATOM 186 OE2 GLU A 13 -0.179 -0.076 7.225 1.00 0.00 O ATOM 0 H GLU A 13 -1.952 -1.907 2.720 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.801 0.619 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.277 -1.635 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.269 -0.249 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.440 1.255 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.392 -0.149 5.033 1.00 0.00 H new ATOM 193 N LEU A 14 1.340 -0.174 0.915 1.00 0.00 N ATOM 194 CA LEU A 14 2.359 -0.603 0.008 1.00 0.00 C ATOM 195 C LEU A 14 3.708 -0.354 0.599 1.00 0.00 C ATOM 196 O LEU A 14 4.008 0.758 1.034 1.00 0.00 O ATOM 197 CB LEU A 14 2.167 0.112 -1.354 1.00 0.00 C ATOM 198 CG LEU A 14 3.274 0.078 -2.465 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.305 1.160 -2.265 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.956 -1.267 -2.563 1.00 0.00 C ATOM 0 H LEU A 14 1.397 0.811 1.173 1.00 0.00 H new ATOM 0 HA LEU A 14 2.282 -1.676 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.259 -0.295 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.971 1.162 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 14 2.754 0.261 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.053 1.101 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.820 2.135 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.789 1.027 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.713 -1.235 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.430 -1.505 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.218 -2.033 -2.802 1.00 0.00 H new ATOM 212 N ILE A 15 4.523 -1.370 0.651 1.00 0.00 N ATOM 213 CA ILE A 15 5.875 -1.140 1.034 1.00 0.00 C ATOM 214 C ILE A 15 6.718 -1.165 -0.213 1.00 0.00 C ATOM 215 O ILE A 15 6.922 -2.219 -0.821 1.00 0.00 O ATOM 216 CB ILE A 15 6.583 -2.143 2.040 1.00 0.00 C ATOM 217 CG1 ILE A 15 5.934 -2.084 3.443 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.086 -1.828 2.179 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.468 -2.444 3.499 1.00 0.00 C ATOM 0 H ILE A 15 4.279 -2.337 0.438 1.00 0.00 H new ATOM 0 HA ILE A 15 5.809 -0.196 1.574 1.00 0.00 H new ATOM 0 HB ILE A 15 6.458 -3.143 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.480 -2.756 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.058 -1.076 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.543 -2.532 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.568 -1.916 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.212 -0.813 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.114 -2.370 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.901 -1.758 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.330 -3.464 3.140 1.00 0.00 H new ATOM 483 N PRO A 33 2.594 4.299 1.757 1.00 0.00 N ATOM 484 CA PRO A 33 1.645 4.656 0.687 1.00 0.00 C ATOM 485 C PRO A 33 0.422 3.745 0.734 1.00 0.00 C ATOM 486 O PRO A 33 0.552 2.520 0.834 1.00 0.00 O ATOM 487 CB PRO A 33 2.495 4.387 -0.581 1.00 0.00 C ATOM 488 CG PRO A 33 3.725 3.720 -0.094 1.00 0.00 C ATOM 489 CD PRO A 33 3.955 4.266 1.235 1.00 0.00 C ATOM 0 HA PRO A 33 1.253 5.671 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.958 3.754 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.731 5.316 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.598 2.638 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.569 3.921 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.612 3.634 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.409 5.256 1.202 1.00 0.00 H new ATOM 497 N SER A 34 -0.737 4.326 0.669 1.00 0.00 N ATOM 498 CA SER A 34 -1.943 3.573 0.803 1.00 0.00 C ATOM 499 C SER A 34 -2.926 3.970 -0.264 1.00 0.00 C ATOM 500 O SER A 34 -2.823 5.062 -0.837 1.00 0.00 O ATOM 501 CB SER A 34 -2.540 3.774 2.208 1.00 0.00 C ATOM 502 OG SER A 34 -2.624 5.164 2.528 1.00 0.00 O ATOM 0 H SER A 34 -0.872 5.326 0.523 1.00 0.00 H new ATOM 0 HA SER A 34 -1.717 2.514 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.532 3.325 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.923 3.262 2.947 1.00 0.00 H new ATOM 0 HG SER A 34 -3.007 5.271 3.424 1.00 0.00 H new ATOM 508 N VAL A 35 -3.832 3.095 -0.558 1.00 0.00 N ATOM 509 CA VAL A 35 -4.881 3.357 -1.491 1.00 0.00 C ATOM 510 C VAL A 35 -6.044 2.517 -1.134 1.00 0.00 C ATOM 511 O VAL A 35 -5.876 1.462 -0.564 1.00 0.00 O ATOM 512 CB VAL A 35 -4.451 3.060 -2.969 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.018 1.629 -3.149 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.560 3.361 -3.960 1.00 0.00 C ATOM 0 H VAL A 35 -3.865 2.161 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.131 4.417 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.608 3.721 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.728 1.464 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.169 1.421 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.843 0.964 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.215 3.140 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.430 2.746 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.833 4.414 -3.892 1.00 0.00 H new ATOM 524 N SER A 36 -7.193 2.984 -1.415 1.00 0.00 N ATOM 525 CA SER A 36 -8.331 2.211 -1.256 1.00 0.00 C ATOM 526 C SER A 36 -8.660 1.641 -2.640 1.00 0.00 C ATOM 527 O SER A 36 -9.092 2.362 -3.546 1.00 0.00 O ATOM 528 CB SER A 36 -9.411 3.024 -0.692 1.00 0.00 C ATOM 529 OG SER A 36 -8.978 3.708 0.481 1.00 0.00 O ATOM 0 H SER A 36 -7.362 3.927 -1.766 1.00 0.00 H new ATOM 0 HA SER A 36 -8.187 1.389 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.752 3.747 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.263 2.387 -0.452 1.00 0.00 H new ATOM 0 HG SER A 36 -9.716 4.245 0.838 1.00 0.00 H new ATOM 535 N HIS A 37 -8.417 0.371 -2.795 1.00 0.00 N ATOM 536 CA HIS A 37 -8.480 -0.282 -4.045 1.00 0.00 C ATOM 537 C HIS A 37 -9.667 -1.225 -4.088 1.00 0.00 C ATOM 538 O HIS A 37 -10.006 -1.839 -3.098 1.00 0.00 O ATOM 539 CB HIS A 37 -7.149 -1.024 -4.270 1.00 0.00 C ATOM 540 CG HIS A 37 -7.095 -1.831 -5.519 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.615 -1.370 -6.708 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.518 -3.062 -5.746 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.761 -2.288 -7.620 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.314 -3.339 -7.068 1.00 0.00 N ATOM 0 H HIS A 37 -8.163 -0.246 -2.024 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.622 0.442 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.340 -0.294 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.966 -1.681 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.949 -3.731 -5.016 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.474 -2.198 -8.657 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.551 -4.211 -7.542 1.00 0.00 H new ATOM 553 N ILE A 38 -10.249 -1.326 -5.249 1.00 0.00 N ATOM 554 CA ILE A 38 -11.443 -2.147 -5.552 1.00 0.00 C ATOM 555 C ILE A 38 -10.895 -3.590 -5.811 1.00 0.00 C ATOM 556 O ILE A 38 -10.163 -3.840 -6.785 1.00 0.00 O ATOM 557 CB ILE A 38 -11.991 -1.623 -6.822 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.371 -0.127 -6.686 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.222 -2.468 -7.119 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.429 0.173 -5.626 1.00 0.00 C ATOM 0 H ILE A 38 -9.906 -0.823 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.198 -2.134 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.259 -1.683 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.471 0.442 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.732 0.230 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.678 -2.132 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.931 -3.514 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.940 -2.364 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.629 1.244 -5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.347 -0.363 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.067 -0.148 -4.649 1.00 0.00 H new ATOM 572 N PHE A 39 -11.182 -4.462 -4.935 1.00 0.00 N ATOM 573 CA PHE A 39 -10.808 -5.822 -5.052 1.00 0.00 C ATOM 574 C PHE A 39 -12.041 -6.660 -5.247 1.00 0.00 C ATOM 575 O PHE A 39 -13.108 -6.332 -4.735 1.00 0.00 O ATOM 576 CB PHE A 39 -10.088 -6.302 -3.825 1.00 0.00 C ATOM 577 CG PHE A 39 -8.729 -5.753 -3.571 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.612 -6.366 -4.101 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.566 -4.665 -2.760 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.353 -5.889 -3.830 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.315 -4.186 -2.471 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.201 -4.800 -3.011 1.00 0.00 C ATOM 0 H PHE A 39 -11.702 -4.250 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.137 -5.915 -5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.710 -6.076 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.007 -7.387 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.729 -7.231 -4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.434 -4.177 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.487 -6.369 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.200 -3.330 -1.822 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.214 -4.423 -2.789 1.00 0.00 H new ATOM 592 N ASP A 40 -11.880 -7.717 -5.973 1.00 0.00 N ATOM 593 CA ASP A 40 -12.914 -8.647 -6.276 1.00 0.00 C ATOM 594 C ASP A 40 -12.287 -9.992 -6.509 1.00 0.00 C ATOM 595 O ASP A 40 -11.048 -10.095 -6.680 1.00 0.00 O ATOM 596 CB ASP A 40 -13.664 -8.239 -7.543 1.00 0.00 C ATOM 597 CG ASP A 40 -12.752 -8.096 -8.736 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.405 -9.106 -9.343 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.340 -6.968 -9.071 1.00 0.00 O ATOM 0 H ASP A 40 -10.983 -7.966 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.618 -8.674 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.430 -8.983 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.178 -7.294 -7.368 1.00 0.00 H new ATOM 604 N GLY A 41 -13.108 -10.987 -6.540 1.00 0.00 N ATOM 605 CA GLY A 41 -12.644 -12.344 -6.748 1.00 0.00 C ATOM 606 C GLY A 41 -12.836 -12.810 -8.162 1.00 0.00 C ATOM 607 O GLY A 41 -12.832 -14.018 -8.447 1.00 0.00 O ATOM 0 H GLY A 41 -14.117 -10.898 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.587 -12.406 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.177 -13.014 -6.073 1.00 0.00 H new ATOM 611 N GLU A 42 -12.992 -11.873 -9.055 1.00 0.00 N ATOM 612 CA GLU A 42 -13.268 -12.161 -10.402 1.00 0.00 C ATOM 613 C GLU A 42 -12.056 -11.831 -11.285 1.00 0.00 C ATOM 614 O GLU A 42 -11.920 -12.322 -12.400 1.00 0.00 O ATOM 615 CB GLU A 42 -14.478 -11.373 -10.783 1.00 0.00 C ATOM 616 CG GLU A 42 -15.642 -11.575 -9.815 1.00 0.00 C ATOM 617 CD GLU A 42 -16.899 -10.858 -10.205 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.929 -9.607 -10.195 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.909 -11.541 -10.495 1.00 0.00 O ATOM 0 H GLU A 42 -12.926 -10.877 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.465 -13.223 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.221 -10.314 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.792 -11.659 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.855 -12.641 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.338 -11.238 -8.824 1.00 0.00 H new ATOM 626 N THR A 43 -11.226 -10.965 -10.792 1.00 0.00 N ATOM 627 CA THR A 43 -10.015 -10.591 -11.393 1.00 0.00 C ATOM 628 C THR A 43 -8.840 -11.221 -10.631 1.00 0.00 C ATOM 629 O THR A 43 -8.877 -11.307 -9.380 1.00 0.00 O ATOM 630 CB THR A 43 -9.927 -9.075 -11.323 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.987 -8.467 -12.086 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.578 -8.541 -11.728 1.00 0.00 C ATOM 0 H THR A 43 -11.399 -10.482 -9.910 1.00 0.00 H new ATOM 0 HA THR A 43 -9.972 -10.932 -12.427 1.00 0.00 H new ATOM 0 HB THR A 43 -10.053 -8.801 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.808 -8.451 -11.551 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.581 -7.453 -11.656 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.813 -8.946 -11.066 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.363 -8.836 -12.755 1.00 0.00 H new ATOM 640 N ALA A 44 -7.833 -11.690 -11.369 1.00 0.00 N ATOM 641 CA ALA A 44 -6.623 -12.231 -10.783 1.00 0.00 C ATOM 642 C ALA A 44 -5.969 -11.211 -9.881 1.00 0.00 C ATOM 643 O ALA A 44 -6.048 -9.987 -10.118 1.00 0.00 O ATOM 644 CB ALA A 44 -5.628 -12.690 -11.851 1.00 0.00 C ATOM 0 H ALA A 44 -7.841 -11.702 -12.389 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.912 -13.102 -10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.735 -13.089 -11.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.086 -13.465 -12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.353 -11.843 -12.480 1.00 0.00 H new ATOM 650 N VAL A 45 -5.336 -11.715 -8.860 1.00 0.00 N ATOM 651 CA VAL A 45 -4.631 -10.924 -7.884 1.00 0.00 C ATOM 652 C VAL A 45 -3.638 -10.028 -8.569 1.00 0.00 C ATOM 653 O VAL A 45 -3.624 -8.835 -8.362 1.00 0.00 O ATOM 654 CB VAL A 45 -3.821 -11.828 -6.940 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.018 -10.974 -6.001 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.764 -12.693 -6.160 1.00 0.00 C ATOM 0 H VAL A 45 -5.293 -12.717 -8.676 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.374 -10.349 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.145 -12.458 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.443 -11.612 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.338 -10.343 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.690 -10.346 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.196 -13.337 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.437 -12.064 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.346 -13.308 -6.846 1.00 0.00 H new ATOM 666 N LYS A 46 -2.862 -10.639 -9.421 1.00 0.00 N ATOM 667 CA LYS A 46 -1.762 -9.988 -10.158 1.00 0.00 C ATOM 668 C LYS A 46 -2.281 -8.802 -10.972 1.00 0.00 C ATOM 669 O LYS A 46 -1.589 -7.822 -11.158 1.00 0.00 O ATOM 670 CB LYS A 46 -1.074 -10.986 -11.076 1.00 0.00 C ATOM 671 CG LYS A 46 -0.767 -12.302 -10.398 1.00 0.00 C ATOM 672 CD LYS A 46 -0.394 -13.352 -11.399 1.00 0.00 C ATOM 673 CE LYS A 46 -0.444 -14.719 -10.750 1.00 0.00 C ATOM 674 NZ LYS A 46 -0.068 -15.802 -11.679 1.00 0.00 N ATOM 0 H LYS A 46 -2.962 -11.630 -9.643 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.039 -9.620 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.708 -11.170 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.146 -10.550 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.049 -12.167 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.635 -12.632 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.077 -13.317 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.607 -13.159 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.226 -14.734 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.450 -14.902 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.119 -16.716 -11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.722 -15.808 -12.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.902 -15.646 -12.020 1.00 0.00 H new ATOM 688 N ASP A 47 -3.508 -8.887 -11.439 1.00 0.00 N ATOM 689 CA ASP A 47 -4.090 -7.792 -12.182 1.00 0.00 C ATOM 690 C ASP A 47 -4.434 -6.670 -11.246 1.00 0.00 C ATOM 691 O ASP A 47 -4.199 -5.510 -11.562 1.00 0.00 O ATOM 692 CB ASP A 47 -5.290 -8.192 -13.000 1.00 0.00 C ATOM 693 CG ASP A 47 -4.993 -8.922 -14.267 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.752 -8.263 -15.292 1.00 0.00 O ATOM 695 OD2 ASP A 47 -5.067 -10.157 -14.291 1.00 0.00 O ATOM 0 H ASP A 47 -4.117 -9.696 -11.319 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.339 -7.460 -12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.935 -8.818 -12.384 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.857 -7.293 -13.244 1.00 0.00 H new ATOM 700 N HIS A 48 -4.960 -7.021 -10.080 1.00 0.00 N ATOM 701 CA HIS A 48 -5.246 -6.047 -9.040 1.00 0.00 C ATOM 702 C HIS A 48 -3.912 -5.386 -8.640 1.00 0.00 C ATOM 703 O HIS A 48 -3.845 -4.182 -8.415 1.00 0.00 O ATOM 704 CB HIS A 48 -5.897 -6.702 -7.804 1.00 0.00 C ATOM 705 CG HIS A 48 -7.254 -7.342 -7.968 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.404 -6.647 -8.262 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.642 -8.634 -7.820 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.422 -7.466 -8.280 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.990 -8.677 -8.015 1.00 0.00 N ATOM 0 H HIS A 48 -5.198 -7.981 -9.831 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.954 -5.311 -9.421 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.212 -7.464 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.979 -5.941 -7.028 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.001 -9.473 -7.590 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.448 -7.192 -8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.570 -9.515 -7.963 1.00 0.00 H new ATOM 718 N ILE A 49 -2.886 -6.202 -8.600 1.00 0.00 N ATOM 719 CA ILE A 49 -1.547 -5.798 -8.272 1.00 0.00 C ATOM 720 C ILE A 49 -0.942 -4.898 -9.335 1.00 0.00 C ATOM 721 O ILE A 49 -0.355 -3.897 -8.985 1.00 0.00 O ATOM 722 CB ILE A 49 -0.668 -7.000 -7.897 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.204 -7.616 -6.612 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.797 -6.578 -7.724 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.350 -8.711 -6.078 1.00 0.00 C ATOM 0 H ILE A 49 -2.967 -7.198 -8.802 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.598 -5.180 -7.375 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.702 -7.736 -8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.297 -6.836 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.206 -8.004 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.397 -7.448 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.166 -6.154 -8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.870 -5.832 -6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.792 -9.103 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.278 -9.509 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.646 -8.324 -5.863 1.00 0.00 H new ATOM 737 N LYS A 50 -1.108 -5.216 -10.633 1.00 0.00 N ATOM 738 CA LYS A 50 -0.641 -4.299 -11.672 1.00 0.00 C ATOM 739 C LYS A 50 -1.273 -2.921 -11.512 1.00 0.00 C ATOM 740 O LYS A 50 -0.605 -1.904 -11.693 1.00 0.00 O ATOM 741 CB LYS A 50 -0.859 -4.837 -13.094 1.00 0.00 C ATOM 742 CG LYS A 50 0.016 -5.988 -13.484 1.00 0.00 C ATOM 743 CD LYS A 50 -0.084 -6.221 -14.972 1.00 0.00 C ATOM 744 CE LYS A 50 0.832 -7.321 -15.437 1.00 0.00 C ATOM 745 NZ LYS A 50 2.261 -7.013 -15.242 1.00 0.00 N ATOM 0 H LYS A 50 -1.547 -6.072 -10.973 1.00 0.00 H new ATOM 0 HA LYS A 50 0.437 -4.209 -11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.900 -5.144 -13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.698 -4.023 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.050 -5.782 -13.207 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.285 -6.886 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.112 -6.473 -15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.160 -5.299 -15.500 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.589 -8.238 -14.900 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.650 -7.513 -16.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.837 -7.809 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.507 -6.155 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.448 -6.857 -14.231 1.00 0.00 H new ATOM 759 N VAL A 51 -2.536 -2.900 -11.112 1.00 0.00 N ATOM 760 CA VAL A 51 -3.239 -1.659 -10.871 1.00 0.00 C ATOM 761 C VAL A 51 -2.622 -0.935 -9.692 1.00 0.00 C ATOM 762 O VAL A 51 -2.251 0.235 -9.807 1.00 0.00 O ATOM 763 CB VAL A 51 -4.737 -1.852 -10.617 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.392 -0.524 -10.314 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.412 -2.551 -11.773 1.00 0.00 C ATOM 0 H VAL A 51 -3.094 -3.738 -10.948 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.140 -1.067 -11.781 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.853 -2.497 -9.746 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.457 -0.676 -10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.934 -0.086 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.258 0.149 -11.161 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.474 -2.670 -11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.291 -1.956 -12.679 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.959 -3.532 -11.920 1.00 0.00 H new ATOM 775 N LEU A 52 -2.518 -1.616 -8.575 1.00 0.00 N ATOM 776 CA LEU A 52 -1.895 -1.068 -7.383 1.00 0.00 C ATOM 777 C LEU A 52 -0.507 -0.551 -7.672 1.00 0.00 C ATOM 778 O LEU A 52 -0.206 0.580 -7.322 1.00 0.00 O ATOM 779 CB LEU A 52 -1.863 -2.133 -6.307 1.00 0.00 C ATOM 780 CG LEU A 52 -3.218 -2.527 -5.819 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.168 -3.898 -5.248 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.697 -1.541 -4.802 1.00 0.00 C ATOM 0 H LEU A 52 -2.863 -2.569 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.484 -0.219 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.355 -3.015 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.274 -1.770 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.920 -2.528 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.159 -4.181 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.843 -4.600 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.465 -3.920 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.686 -1.833 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.004 -1.520 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.751 -0.550 -5.253 1.00 0.00 H new ATOM 794 N LEU A 53 0.313 -1.350 -8.350 1.00 0.00 N ATOM 795 CA LEU A 53 1.652 -0.950 -8.695 1.00 0.00 C ATOM 796 C LEU A 53 1.627 0.328 -9.494 1.00 0.00 C ATOM 797 O LEU A 53 2.318 1.255 -9.163 1.00 0.00 O ATOM 798 CB LEU A 53 2.373 -2.062 -9.442 1.00 0.00 C ATOM 799 CG LEU A 53 2.568 -3.345 -8.667 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.293 -4.327 -9.516 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.317 -3.095 -7.375 1.00 0.00 C ATOM 0 H LEU A 53 0.059 -2.285 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 53 2.208 -0.761 -7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.814 -2.288 -10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.351 -1.693 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 53 1.591 -3.750 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.435 -5.254 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.712 -4.529 -10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.264 -3.919 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.442 -4.036 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.296 -2.671 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.752 -2.397 -6.756 1.00 0.00 H new ATOM 813 N THR A 54 0.792 0.382 -10.504 1.00 0.00 N ATOM 814 CA THR A 54 0.618 1.553 -11.274 1.00 0.00 C ATOM 815 C THR A 54 0.141 2.769 -10.468 1.00 0.00 C ATOM 816 O THR A 54 0.635 3.886 -10.652 1.00 0.00 O ATOM 817 CB THR A 54 -0.264 1.237 -12.490 1.00 0.00 C ATOM 818 OG1 THR A 54 0.483 0.513 -13.467 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.932 2.429 -13.094 1.00 0.00 C ATOM 0 H THR A 54 0.216 -0.404 -10.804 1.00 0.00 H new ATOM 0 HA THR A 54 1.599 1.865 -11.632 1.00 0.00 H new ATOM 0 HB THR A 54 -1.079 0.616 -12.119 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.090 0.316 -14.237 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.535 2.115 -13.946 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.574 2.902 -12.351 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.176 3.140 -13.426 1.00 0.00 H new ATOM 827 N HIS A 55 -0.741 2.550 -9.546 1.00 0.00 N ATOM 828 CA HIS A 55 -1.226 3.615 -8.709 1.00 0.00 C ATOM 829 C HIS A 55 -0.168 4.087 -7.694 1.00 0.00 C ATOM 830 O HIS A 55 -0.135 5.256 -7.320 1.00 0.00 O ATOM 831 CB HIS A 55 -2.567 3.221 -8.080 1.00 0.00 C ATOM 832 CG HIS A 55 -3.180 4.289 -7.232 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.037 5.236 -7.720 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.044 4.550 -5.921 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.403 6.040 -6.748 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.814 5.649 -5.642 1.00 0.00 N ATOM 0 H HIS A 55 -1.147 1.636 -9.348 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.415 4.492 -9.328 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.265 2.957 -8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.423 2.328 -7.473 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.440 3.996 -5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.075 6.880 -6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.913 6.090 -4.727 1.00 0.00 H new ATOM 845 N PHE A 56 0.675 3.186 -7.261 1.00 0.00 N ATOM 846 CA PHE A 56 1.784 3.534 -6.395 1.00 0.00 C ATOM 847 C PHE A 56 2.984 4.020 -7.200 1.00 0.00 C ATOM 848 O PHE A 56 3.976 4.512 -6.637 1.00 0.00 O ATOM 849 CB PHE A 56 2.171 2.356 -5.535 1.00 0.00 C ATOM 850 CG PHE A 56 1.142 1.989 -4.515 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.736 2.914 -3.578 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.590 0.724 -4.489 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.202 2.592 -2.627 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.351 0.387 -3.538 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.745 1.325 -2.603 1.00 0.00 C ATOM 0 H PHE A 56 0.618 2.195 -7.494 1.00 0.00 H new ATOM 0 HA PHE A 56 1.460 4.350 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.356 1.495 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.108 2.582 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.161 3.907 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.898 -0.009 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.513 3.329 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.778 -0.605 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.478 1.066 -1.854 1.00 0.00 H new ATOM 865 N LYS A 57 2.869 3.867 -8.503 1.00 0.00 N ATOM 866 CA LYS A 57 3.869 4.268 -9.488 1.00 0.00 C ATOM 867 C LYS A 57 5.108 3.379 -9.461 1.00 0.00 C ATOM 868 O LYS A 57 6.253 3.842 -9.456 1.00 0.00 O ATOM 869 CB LYS A 57 4.180 5.771 -9.431 1.00 0.00 C ATOM 870 CG LYS A 57 3.048 6.625 -9.950 1.00 0.00 C ATOM 871 CD LYS A 57 3.395 8.085 -9.866 1.00 0.00 C ATOM 872 CE LYS A 57 2.611 8.891 -10.876 1.00 0.00 C ATOM 873 NZ LYS A 57 1.142 8.793 -10.699 1.00 0.00 N ATOM 0 H LYS A 57 2.045 3.443 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 57 3.425 4.105 -10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.398 6.053 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.078 5.973 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.830 6.358 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.145 6.428 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.187 8.454 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.463 8.219 -10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.909 9.937 -10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.871 8.554 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.669 9.446 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.833 7.820 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.893 9.045 -9.721 1.00 0.00 H new ATOM 887 N ILE A 58 4.838 2.102 -9.422 1.00 0.00 N ATOM 888 CA ILE A 58 5.780 1.058 -9.496 1.00 0.00 C ATOM 889 C ILE A 58 5.526 0.312 -10.803 1.00 0.00 C ATOM 890 O ILE A 58 4.359 0.096 -11.154 1.00 0.00 O ATOM 891 CB ILE A 58 5.513 0.089 -8.351 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.594 0.844 -7.050 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.503 -1.071 -8.368 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.188 0.027 -5.905 1.00 0.00 C ATOM 0 H ILE A 58 3.882 1.758 -9.331 1.00 0.00 H new ATOM 0 HA ILE A 58 6.798 1.444 -9.443 1.00 0.00 H new ATOM 0 HB ILE A 58 4.517 -0.338 -8.466 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.615 1.194 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.959 1.728 -7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.287 -1.746 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.413 -1.613 -9.310 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.517 -0.685 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.264 0.617 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.158 -0.302 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.840 -0.844 -5.830 1.00 0.00 H new ATOM 906 N PRO A 59 6.559 -0.057 -11.564 1.00 0.00 N ATOM 907 CA PRO A 59 6.391 -0.854 -12.782 1.00 0.00 C ATOM 908 C PRO A 59 5.667 -2.158 -12.498 1.00 0.00 C ATOM 909 O PRO A 59 6.003 -2.903 -11.557 1.00 0.00 O ATOM 910 CB PRO A 59 7.837 -1.124 -13.237 1.00 0.00 C ATOM 911 CG PRO A 59 8.657 -0.853 -12.036 1.00 0.00 C ATOM 912 CD PRO A 59 7.972 0.269 -11.329 1.00 0.00 C ATOM 0 HA PRO A 59 5.790 -0.343 -13.535 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.961 -2.152 -13.579 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.120 -0.476 -14.066 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.724 -1.735 -11.399 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.676 -0.580 -12.310 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.216 0.295 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.243 1.241 -11.742 1.00 0.00 H new ATOM 920 N VAL A 60 4.681 -2.428 -13.316 1.00 0.00 N ATOM 921 CA VAL A 60 3.848 -3.596 -13.226 1.00 0.00 C ATOM 922 C VAL A 60 4.604 -4.881 -13.420 1.00 0.00 C ATOM 923 O VAL A 60 4.050 -5.946 -13.239 1.00 0.00 O ATOM 924 CB VAL A 60 2.697 -3.546 -14.265 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.756 -2.417 -13.953 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.200 -3.438 -15.678 1.00 0.00 C ATOM 0 H VAL A 60 4.429 -1.816 -14.092 1.00 0.00 H new ATOM 0 HA VAL A 60 3.447 -3.584 -12.212 1.00 0.00 H new ATOM 0 HB VAL A 60 2.159 -4.491 -14.191 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.955 -2.397 -14.692 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.331 -2.562 -12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.299 -1.472 -13.981 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.354 -3.407 -16.364 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.789 -2.527 -15.786 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.823 -4.302 -15.910 1.00 0.00 H new ATOM 936 N ASP A 61 5.859 -4.774 -13.834 1.00 0.00 N ATOM 937 CA ASP A 61 6.724 -5.943 -14.028 1.00 0.00 C ATOM 938 C ASP A 61 7.039 -6.583 -12.687 1.00 0.00 C ATOM 939 O ASP A 61 7.293 -7.788 -12.593 1.00 0.00 O ATOM 940 CB ASP A 61 8.018 -5.569 -14.767 1.00 0.00 C ATOM 941 CG ASP A 61 8.958 -6.749 -14.967 1.00 0.00 C ATOM 942 OD1 ASP A 61 8.814 -7.482 -15.968 1.00 0.00 O ATOM 943 OD2 ASP A 61 9.860 -6.969 -14.140 1.00 0.00 O ATOM 0 H ASP A 61 6.309 -3.884 -14.045 1.00 0.00 H new ATOM 0 HA ASP A 61 6.189 -6.662 -14.649 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.764 -5.146 -15.739 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.537 -4.791 -14.207 1.00 0.00 H new ATOM 948 N LYS A 62 6.909 -5.791 -11.637 1.00 0.00 N ATOM 949 CA LYS A 62 7.219 -6.221 -10.313 1.00 0.00 C ATOM 950 C LYS A 62 6.093 -7.014 -9.691 1.00 0.00 C ATOM 951 O LYS A 62 6.224 -7.525 -8.606 1.00 0.00 O ATOM 952 CB LYS A 62 7.560 -5.049 -9.468 1.00 0.00 C ATOM 953 CG LYS A 62 8.791 -4.364 -9.949 1.00 0.00 C ATOM 954 CD LYS A 62 9.287 -3.445 -8.921 1.00 0.00 C ATOM 955 CE LYS A 62 10.542 -2.725 -9.376 1.00 0.00 C ATOM 956 NZ LYS A 62 11.600 -3.671 -9.776 1.00 0.00 N ATOM 0 H LYS A 62 6.582 -4.827 -11.695 1.00 0.00 H new ATOM 0 HA LYS A 62 8.080 -6.886 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.728 -4.345 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.703 -5.373 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.557 -5.101 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.577 -3.815 -10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.514 -2.715 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.496 -4.000 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.302 -2.071 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.909 -2.089 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.512 -3.174 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.658 -4.441 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.377 -4.066 -10.712 1.00 0.00 H new ATOM 970 N VAL A 63 4.974 -7.087 -10.410 1.00 0.00 N ATOM 971 CA VAL A 63 3.752 -7.875 -10.071 1.00 0.00 C ATOM 972 C VAL A 63 4.147 -9.323 -9.714 1.00 0.00 C ATOM 973 O VAL A 63 3.495 -9.988 -8.914 1.00 0.00 O ATOM 974 CB VAL A 63 2.890 -7.833 -11.361 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.261 -8.818 -12.449 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.451 -7.969 -11.013 1.00 0.00 C ATOM 0 H VAL A 63 4.872 -6.581 -11.290 1.00 0.00 H new ATOM 0 HA VAL A 63 3.213 -7.476 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 63 3.102 -6.858 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.589 -8.693 -13.298 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.287 -8.637 -12.769 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.175 -9.834 -12.065 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.852 -7.939 -11.923 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.288 -8.918 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.156 -7.150 -10.357 1.00 0.00 H new ATOM 986 N SER A 64 5.244 -9.752 -10.324 1.00 0.00 N ATOM 987 CA SER A 64 5.894 -11.012 -10.082 1.00 0.00 C ATOM 988 C SER A 64 6.224 -11.156 -8.594 1.00 0.00 C ATOM 989 O SER A 64 5.925 -12.160 -7.948 1.00 0.00 O ATOM 990 CB SER A 64 7.254 -10.984 -10.825 1.00 0.00 C ATOM 991 OG SER A 64 7.990 -9.792 -10.510 1.00 0.00 O ATOM 0 H SER A 64 5.720 -9.196 -11.034 1.00 0.00 H new ATOM 0 HA SER A 64 5.244 -11.823 -10.411 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.840 -11.861 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.086 -11.038 -11.901 1.00 0.00 H new ATOM 0 HG SER A 64 7.792 -9.100 -11.175 1.00 0.00 H new ATOM 997 N SER A 65 6.794 -10.099 -8.065 1.00 0.00 N ATOM 998 CA SER A 65 7.333 -10.062 -6.773 1.00 0.00 C ATOM 999 C SER A 65 6.436 -9.302 -5.812 1.00 0.00 C ATOM 1000 O SER A 65 6.851 -8.941 -4.744 1.00 0.00 O ATOM 1001 CB SER A 65 8.708 -9.413 -6.825 1.00 0.00 C ATOM 1002 OG SER A 65 9.460 -9.943 -7.926 1.00 0.00 O ATOM 0 H SER A 65 6.887 -9.215 -8.565 1.00 0.00 H new ATOM 0 HA SER A 65 7.415 -11.085 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.606 -8.333 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.240 -9.593 -5.891 1.00 0.00 H new ATOM 0 HG SER A 65 9.005 -9.728 -8.767 1.00 0.00 H new ATOM 1008 N TYR A 66 5.225 -9.064 -6.186 1.00 0.00 N ATOM 1009 CA TYR A 66 4.316 -8.400 -5.304 1.00 0.00 C ATOM 1010 C TYR A 66 3.199 -9.290 -4.905 1.00 0.00 C ATOM 1011 O TYR A 66 2.774 -10.148 -5.672 1.00 0.00 O ATOM 1012 CB TYR A 66 3.831 -7.069 -5.841 1.00 0.00 C ATOM 1013 CG TYR A 66 4.769 -5.937 -5.534 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.677 -5.279 -4.332 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.732 -5.528 -6.426 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.506 -4.239 -4.017 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.576 -4.487 -6.128 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.457 -3.839 -4.920 1.00 0.00 C ATOM 1019 OH TYR A 66 7.289 -2.791 -4.617 1.00 0.00 O ATOM 0 H TYR A 66 4.838 -9.318 -7.095 1.00 0.00 H new ATOM 0 HA TYR A 66 4.879 -8.161 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.702 -7.144 -6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.851 -6.847 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.930 -5.591 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.826 -6.033 -7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.413 -3.737 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.329 -4.178 -6.838 1.00 0.00 H new ATOM 0 HH TYR A 66 7.905 -2.636 -5.363 1.00 0.00 H new ATOM 1029 N ALA A 67 2.760 -9.126 -3.686 1.00 0.00 N ATOM 1030 CA ALA A 67 1.715 -9.942 -3.159 1.00 0.00 C ATOM 1031 C ALA A 67 0.937 -9.156 -2.139 1.00 0.00 C ATOM 1032 O ALA A 67 1.402 -8.121 -1.679 1.00 0.00 O ATOM 1033 CB ALA A 67 2.299 -11.231 -2.530 1.00 0.00 C ATOM 0 H ALA A 67 3.119 -8.425 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 67 1.046 -10.238 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.488 -11.842 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.839 -11.795 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.982 -10.965 -1.723 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.205 -9.632 -1.804 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.976 -9.058 -0.761 1.00 0.00 C ATOM 1041 C LEU A 68 -0.671 -9.835 0.515 1.00 0.00 C ATOM 1042 O LEU A 68 -0.203 -10.979 0.431 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.447 -9.141 -1.145 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.807 -8.398 -2.447 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.215 -8.720 -2.844 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.625 -6.874 -2.305 1.00 0.00 C ATOM 0 H LEU A 68 -0.637 -10.441 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.735 -8.008 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.724 -10.190 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.046 -8.734 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.124 -8.737 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.463 -8.192 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.311 -9.794 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.896 -8.409 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.889 -6.387 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.271 -6.503 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.586 -6.653 -2.061 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.838 -9.225 1.646 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.545 -9.837 2.939 1.00 0.00 C ATOM 1060 C GLN A 69 -1.580 -9.373 3.932 1.00 0.00 C ATOM 1061 O GLN A 69 -2.167 -8.293 3.762 1.00 0.00 O ATOM 1062 CB GLN A 69 0.844 -9.386 3.449 1.00 0.00 C ATOM 1063 CG GLN A 69 1.355 -10.103 4.701 1.00 0.00 C ATOM 1064 CD GLN A 69 2.609 -9.473 5.282 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.824 -8.270 5.174 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.442 -10.278 5.895 1.00 0.00 N ATOM 0 H GLN A 69 -1.188 -8.269 1.717 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.556 -10.921 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.569 -9.530 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.805 -8.316 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.571 -10.101 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.560 -11.145 4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.230 -11.273 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.302 -9.909 6.301 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.822 -10.184 4.924 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.699 -9.843 6.014 1.00 0.00 C ATOM 1077 C ASN A 70 -1.884 -9.116 7.072 1.00 0.00 C ATOM 1078 O ASN A 70 -0.828 -9.599 7.464 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.270 -11.103 6.643 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.291 -10.797 7.732 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.940 -10.605 8.894 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.541 -10.781 7.387 1.00 0.00 N ATOM 0 H ASN A 70 -1.411 -11.114 5.001 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.513 -9.221 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.739 -11.711 5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.458 -11.695 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.261 -10.606 8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.804 -10.944 6.415 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.359 -7.976 7.560 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.638 -7.173 8.562 1.00 0.00 C ATOM 1091 C PRO A 71 -1.503 -7.821 9.950 1.00 0.00 C ATOM 1092 O PRO A 71 -0.641 -7.425 10.725 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.482 -5.915 8.671 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.842 -6.314 8.218 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.630 -7.334 7.154 1.00 0.00 C ATOM 0 HA PRO A 71 -0.606 -7.024 8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.502 -5.542 9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.079 -5.116 8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.425 -6.724 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.394 -5.456 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.450 -8.051 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.555 -6.878 6.167 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.313 -8.809 10.264 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.272 -9.370 11.590 1.00 0.00 C ATOM 1105 C PHE A 72 -1.600 -10.695 11.624 1.00 0.00 C ATOM 1106 O PHE A 72 -0.795 -10.974 12.499 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.665 -9.507 12.191 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.353 -8.197 12.383 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.152 -7.458 13.531 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.191 -7.695 11.407 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.773 -6.243 13.703 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.815 -6.483 11.574 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.607 -5.754 12.722 1.00 0.00 C ATOM 0 H PHE A 72 -2.993 -9.231 9.632 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.690 -8.668 12.187 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.273 -10.138 11.543 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.591 -10.016 13.152 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.500 -7.838 14.303 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.357 -8.262 10.503 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.607 -5.673 14.605 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.469 -6.102 10.804 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.097 -4.800 12.854 1.00 0.00 H new ATOM 1123 N THR A 73 -1.920 -11.501 10.671 1.00 0.00 N ATOM 1124 CA THR A 73 -1.424 -12.846 10.630 1.00 0.00 C ATOM 1125 C THR A 73 -0.102 -12.910 9.883 1.00 0.00 C ATOM 1126 O THR A 73 0.691 -13.851 10.070 1.00 0.00 O ATOM 1127 CB THR A 73 -2.440 -13.756 9.950 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.605 -13.360 8.579 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.781 -13.647 10.646 1.00 0.00 C ATOM 0 H THR A 73 -2.533 -11.252 9.895 1.00 0.00 H new ATOM 0 HA THR A 73 -1.263 -13.182 11.654 1.00 0.00 H new ATOM 0 HB THR A 73 -2.078 -14.783 10.003 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.258 -13.948 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.501 -14.301 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.675 -13.945 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.134 -12.617 10.597 1.00 0.00 H new ATOM 1137 N LEU A 74 0.122 -11.898 9.045 1.00 0.00 N ATOM 1138 CA LEU A 74 1.293 -11.773 8.188 1.00 0.00 C ATOM 1139 C LEU A 74 1.275 -12.787 7.074 1.00 0.00 C ATOM 1140 O LEU A 74 2.287 -12.988 6.381 1.00 0.00 O ATOM 1141 CB LEU A 74 2.610 -11.819 8.968 1.00 0.00 C ATOM 1142 CG LEU A 74 2.770 -10.774 10.038 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.222 -10.597 10.384 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.103 -9.463 9.659 1.00 0.00 C ATOM 0 H LEU A 74 -0.529 -11.120 8.943 1.00 0.00 H new ATOM 0 HA LEU A 74 1.238 -10.782 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.704 -12.802 9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.434 -11.718 8.261 1.00 0.00 H new ATOM 0 HG LEU A 74 2.255 -11.124 10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.321 -9.838 11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.627 -11.542 10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.772 -10.283 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.244 -8.738 10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.549 -9.080 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.037 -9.629 9.503 1.00 0.00 H new ATOM 1156 N ALA A 75 0.110 -13.364 6.843 1.00 0.00 N ATOM 1157 CA ALA A 75 -0.044 -14.353 5.822 1.00 0.00 C ATOM 1158 C ALA A 75 -0.170 -13.696 4.492 1.00 0.00 C ATOM 1159 O ALA A 75 -0.852 -12.677 4.350 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.247 -15.222 6.084 1.00 0.00 C ATOM 0 H ALA A 75 -0.744 -13.154 7.360 1.00 0.00 H new ATOM 0 HA ALA A 75 0.842 -14.989 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.339 -15.965 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.129 -15.727 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.144 -14.604 6.108 1.00 0.00 H new ATOM 1166 N TYR A 76 0.499 -14.246 3.544 1.00 0.00 N ATOM 1167 CA TYR A 76 0.493 -13.749 2.211 1.00 0.00 C ATOM 1168 C TYR A 76 -0.682 -14.236 1.443 1.00 0.00 C ATOM 1169 O TYR A 76 -1.410 -15.127 1.876 1.00 0.00 O ATOM 1170 CB TYR A 76 1.734 -14.197 1.488 1.00 0.00 C ATOM 1171 CG TYR A 76 2.909 -13.301 1.625 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.213 -12.635 2.817 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.724 -13.107 0.541 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.310 -11.807 2.896 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.820 -12.300 0.618 1.00 0.00 C ATOM 1176 CZ TYR A 76 5.118 -11.653 1.778 1.00 0.00 C ATOM 1177 OH TYR A 76 6.214 -10.850 1.820 1.00 0.00 O ATOM 0 H TYR A 76 1.080 -15.074 3.674 1.00 0.00 H new ATOM 0 HA TYR A 76 0.450 -12.662 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.009 -15.187 1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.499 -14.301 0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.582 -12.772 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.494 -13.602 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.538 -11.285 3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.455 -12.173 -0.246 1.00 0.00 H new ATOM 0 HH TYR A 76 6.662 -10.862 0.948 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.870 -13.653 0.314 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.839 -14.082 -0.627 1.00 0.00 C ATOM 1189 C VAL A 77 -1.041 -14.455 -1.850 1.00 0.00 C ATOM 1190 O VAL A 77 -0.581 -13.587 -2.614 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.874 -12.965 -0.971 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.867 -13.441 -2.031 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.621 -12.512 0.280 1.00 0.00 C ATOM 0 H VAL A 77 -0.336 -12.838 0.011 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.429 -14.909 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.321 -12.117 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.576 -12.642 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.328 -13.708 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.406 -14.312 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.336 -11.733 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.151 -13.360 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.910 -12.119 1.006 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.812 -15.718 -1.975 1.00 0.00 N ATOM 1204 CA GLU A 78 0.017 -16.281 -2.999 1.00 0.00 C ATOM 1205 C GLU A 78 -0.878 -16.945 -4.027 1.00 0.00 C ATOM 1206 O GLU A 78 -0.439 -17.736 -4.869 1.00 0.00 O ATOM 1207 CB GLU A 78 0.923 -17.269 -2.329 1.00 0.00 C ATOM 1208 CG GLU A 78 1.846 -16.592 -1.312 1.00 0.00 C ATOM 1209 CD GLU A 78 2.927 -17.477 -0.760 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.715 -18.135 0.280 1.00 0.00 O ATOM 1211 OE2 GLU A 78 4.031 -17.489 -1.319 1.00 0.00 O ATOM 0 H GLU A 78 -1.209 -16.416 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 78 0.618 -15.531 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.325 -18.030 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.523 -17.781 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.310 -15.725 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.242 -16.220 -0.485 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.152 -16.598 -3.917 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.223 -17.020 -4.760 1.00 0.00 C ATOM 1220 C ASP A 79 -3.148 -16.309 -6.070 1.00 0.00 C ATOM 1221 O ASP A 79 -2.571 -15.221 -6.183 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.594 -16.634 -4.129 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.822 -17.206 -2.744 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.148 -16.769 -1.786 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.691 -18.102 -2.583 1.00 0.00 O ATOM 0 H ASP A 79 -2.470 -15.969 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.139 -18.100 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.665 -15.548 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.393 -16.975 -4.787 1.00 0.00 H new ATOM 1230 N SER A 80 -3.717 -16.912 -7.039 1.00 0.00 N ATOM 1231 CA SER A 80 -3.819 -16.370 -8.333 1.00 0.00 C ATOM 1232 C SER A 80 -5.002 -15.441 -8.425 1.00 0.00 C ATOM 1233 O SER A 80 -4.940 -14.387 -9.054 1.00 0.00 O ATOM 1234 CB SER A 80 -3.965 -17.481 -9.299 1.00 0.00 C ATOM 1235 OG SER A 80 -2.815 -18.317 -9.291 1.00 0.00 O ATOM 0 H SER A 80 -4.142 -17.835 -6.948 1.00 0.00 H new ATOM 0 HA SER A 80 -2.922 -15.795 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.849 -18.069 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.120 -17.079 -10.300 1.00 0.00 H new ATOM 0 HG SER A 80 -2.935 -19.045 -9.936 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.068 -15.823 -7.786 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.265 -15.072 -7.750 1.00 0.00 C ATOM 1243 C PHE A 81 -7.693 -14.910 -6.308 1.00 0.00 C ATOM 1244 O PHE A 81 -7.344 -15.719 -5.452 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.352 -15.766 -8.528 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.186 -15.787 -10.020 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.312 -16.676 -10.617 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -8.920 -14.935 -10.820 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.166 -16.711 -11.988 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.779 -14.961 -12.193 1.00 0.00 C ATOM 1251 CZ PHE A 81 -7.900 -15.851 -12.779 1.00 0.00 C ATOM 0 H PHE A 81 -6.119 -16.696 -7.262 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.091 -14.096 -8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.422 -16.795 -8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.302 -15.284 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.736 -17.352 -10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.612 -14.241 -10.367 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.479 -17.410 -12.441 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.355 -14.286 -12.808 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.788 -15.874 -13.853 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.431 -13.880 -6.057 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.952 -13.589 -4.740 1.00 0.00 C ATOM 1263 C LEU A 82 -10.270 -14.267 -4.545 1.00 0.00 C ATOM 1264 O LEU A 82 -10.963 -14.590 -5.503 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.128 -12.087 -4.584 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.857 -11.334 -4.216 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.109 -9.848 -4.136 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.300 -11.867 -2.890 1.00 0.00 C ATOM 0 H LEU A 82 -8.700 -13.198 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.249 -13.957 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.517 -11.681 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.880 -11.900 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.117 -11.499 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.184 -9.336 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.461 -9.486 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.865 -9.647 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.391 -11.324 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.041 -11.728 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.072 -12.928 -2.991 1.00 0.00 H new ATOM 1280 N THR A 83 -10.588 -14.522 -3.329 1.00 0.00 N ATOM 1281 CA THR A 83 -11.853 -15.062 -2.996 1.00 0.00 C ATOM 1282 C THR A 83 -12.622 -14.007 -2.213 1.00 0.00 C ATOM 1283 O THR A 83 -11.993 -13.104 -1.636 1.00 0.00 O ATOM 1284 CB THR A 83 -11.716 -16.356 -2.157 1.00 0.00 C ATOM 1285 OG1 THR A 83 -11.037 -16.078 -0.923 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.932 -17.405 -2.920 1.00 0.00 C ATOM 0 H THR A 83 -9.973 -14.361 -2.531 1.00 0.00 H new ATOM 0 HA THR A 83 -12.384 -15.328 -3.910 1.00 0.00 H new ATOM 0 HB THR A 83 -12.718 -16.731 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.958 -16.903 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.846 -18.307 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.449 -17.640 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.936 -17.023 -3.145 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.973 -14.064 -2.190 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.791 -13.142 -1.384 1.00 0.00 C ATOM 1296 C PRO A 84 -14.379 -13.213 0.079 1.00 0.00 C ATOM 1297 O PRO A 84 -14.360 -12.209 0.771 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.214 -13.660 -1.571 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.179 -14.355 -2.884 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.819 -14.985 -2.978 1.00 0.00 C ATOM 0 HA PRO A 84 -14.681 -12.100 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.499 -14.340 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.938 -12.845 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.964 -15.108 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.342 -13.653 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.812 -15.994 -2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.480 -15.061 -4.011 1.00 0.00 H new ATOM 1308 N GLU A 85 -14.008 -14.409 0.519 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.512 -14.624 1.851 1.00 0.00 C ATOM 1310 C GLU A 85 -12.245 -13.827 2.102 1.00 0.00 C ATOM 1311 O GLU A 85 -12.112 -13.199 3.143 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.254 -16.091 2.097 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.495 -16.947 2.091 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.178 -18.368 2.422 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.844 -19.133 1.513 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.214 -18.742 3.610 1.00 0.00 O ATOM 0 H GLU A 85 -14.047 -15.255 -0.050 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.279 -14.279 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.568 -16.460 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.753 -16.204 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.213 -16.555 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.969 -16.897 1.111 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.340 -13.820 1.122 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.104 -13.089 1.248 1.00 0.00 C ATOM 1325 C ARG A 86 -10.351 -11.604 1.355 1.00 0.00 C ATOM 1326 O ARG A 86 -9.654 -10.905 2.091 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.130 -13.393 0.127 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.394 -14.721 0.218 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.771 -14.921 1.592 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.132 -13.694 2.091 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.328 -13.636 3.135 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.803 -14.746 3.639 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -6.016 -12.453 3.662 1.00 0.00 N ATOM 0 H ARG A 86 -11.451 -14.316 0.238 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.640 -13.428 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.675 -13.367 -0.817 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.390 -12.593 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.086 -15.537 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.616 -14.760 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.540 -15.241 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.032 -15.720 1.542 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.325 -12.825 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.021 -15.650 3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.182 -14.695 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.398 -11.598 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.395 -12.402 4.469 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.316 -11.144 0.607 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.740 -9.769 0.625 1.00 0.00 C ATOM 1349 C LEU A 87 -12.343 -9.420 1.978 1.00 0.00 C ATOM 1350 O LEU A 87 -11.982 -8.424 2.592 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.758 -9.553 -0.470 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.309 -9.846 -1.871 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.426 -9.550 -2.850 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.108 -9.026 -2.174 1.00 0.00 C ATOM 0 H LEU A 87 -11.841 -11.726 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.879 -9.122 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.628 -10.174 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.089 -8.515 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.053 -10.901 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.088 -9.766 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.290 -10.171 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.705 -8.499 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.774 -9.232 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.356 -7.969 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.311 -9.275 -1.473 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.241 -10.257 2.426 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.891 -10.116 3.679 1.00 0.00 C ATOM 1368 C VAL A 88 -12.935 -10.107 4.870 1.00 0.00 C ATOM 1369 O VAL A 88 -13.080 -9.296 5.801 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.076 -11.107 3.755 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.478 -11.291 5.157 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.274 -10.724 2.929 1.00 0.00 C ATOM 0 H VAL A 88 -13.542 -11.079 1.903 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.323 -9.118 3.753 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.709 -12.039 3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.313 -11.990 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.638 -11.688 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.781 -10.332 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.053 -11.478 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.652 -9.757 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.987 -10.659 1.880 1.00 0.00 H new ATOM 1382 N GLU A 89 -11.953 -10.968 4.817 1.00 0.00 N ATOM 1383 CA GLU A 89 -10.859 -10.985 5.783 1.00 0.00 C ATOM 1384 C GLU A 89 -10.107 -9.650 5.782 1.00 0.00 C ATOM 1385 O GLU A 89 -9.614 -9.193 6.819 1.00 0.00 O ATOM 1386 CB GLU A 89 -9.932 -12.116 5.449 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.379 -13.504 5.796 1.00 0.00 C ATOM 1388 CD GLU A 89 -9.271 -14.488 5.523 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -8.240 -14.450 6.246 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -9.397 -15.319 4.607 1.00 0.00 O ATOM 0 H GLU A 89 -11.879 -11.689 4.099 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.265 -11.131 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.735 -12.084 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.983 -11.933 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.666 -13.550 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.261 -13.767 5.213 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.021 -9.048 4.616 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.288 -7.800 4.426 1.00 0.00 C ATOM 1399 C ALA A 90 -10.083 -6.542 4.779 1.00 0.00 C ATOM 1400 O ALA A 90 -9.513 -5.644 5.402 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.712 -7.715 3.042 1.00 0.00 C ATOM 0 H ALA A 90 -10.456 -9.406 3.766 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.469 -7.831 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.172 -6.775 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.028 -8.548 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.518 -7.760 2.309 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.389 -6.457 4.403 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.203 -5.273 4.744 1.00 0.00 C ATOM 1409 C GLU A 91 -12.200 -4.946 6.225 1.00 0.00 C ATOM 1410 O GLU A 91 -12.487 -3.817 6.627 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.628 -5.374 4.285 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.892 -4.838 2.903 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.342 -4.442 2.727 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.206 -5.298 2.557 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.647 -3.232 2.793 1.00 0.00 O ATOM 0 H GLU A 91 -11.884 -7.178 3.878 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.713 -4.465 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.930 -6.421 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.261 -4.838 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.253 -3.974 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.628 -5.593 2.163 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.921 -5.951 7.024 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.758 -5.824 8.443 1.00 0.00 C ATOM 1424 C LYS A 92 -10.746 -4.741 8.811 1.00 0.00 C ATOM 1425 O LYS A 92 -10.914 -4.021 9.792 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.289 -7.130 8.949 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.375 -8.148 8.831 1.00 0.00 C ATOM 1428 CD LYS A 92 -11.934 -9.432 9.368 1.00 0.00 C ATOM 1429 CE LYS A 92 -13.011 -10.476 9.228 1.00 0.00 C ATOM 1430 NZ LYS A 92 -14.179 -10.222 10.100 1.00 0.00 N ATOM 0 H LYS A 92 -11.799 -6.906 6.688 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.710 -5.534 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.414 -7.454 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.980 -7.036 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.260 -7.808 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.661 -8.263 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.035 -9.759 8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.668 -9.318 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.341 -10.513 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.594 -11.455 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.807 -11.051 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.855 -10.046 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.698 -9.391 9.752 1.00 0.00 H new ATOM 1444 N SER A 93 -9.682 -4.636 8.027 1.00 0.00 N ATOM 1445 CA SER A 93 -8.664 -3.650 8.275 1.00 0.00 C ATOM 1446 C SER A 93 -8.071 -3.020 6.987 1.00 0.00 C ATOM 1447 O SER A 93 -8.497 -1.940 6.566 1.00 0.00 O ATOM 1448 CB SER A 93 -7.608 -4.228 9.177 1.00 0.00 C ATOM 1449 OG SER A 93 -8.193 -4.692 10.400 1.00 0.00 O ATOM 0 H SER A 93 -9.510 -5.228 7.214 1.00 0.00 H new ATOM 0 HA SER A 93 -9.140 -2.812 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.102 -5.052 8.673 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.852 -3.473 9.392 1.00 0.00 H new ATOM 0 HG SER A 93 -7.611 -4.455 11.152 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.124 -3.709 6.385 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.431 -3.304 5.164 1.00 0.00 C ATOM 1457 C TYR A 94 -5.762 -4.544 4.549 1.00 0.00 C ATOM 1458 O TYR A 94 -5.817 -5.641 5.126 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.265 -2.286 5.417 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.235 -2.489 6.456 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.582 -2.550 7.769 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.889 -2.487 6.119 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.630 -2.610 8.754 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.932 -2.568 7.082 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.293 -2.624 8.401 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.311 -2.668 9.375 1.00 0.00 O ATOM 0 H TYR A 94 -6.797 -4.606 6.743 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.183 -2.840 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.734 -2.181 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.733 -1.325 5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.627 -2.551 8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.598 -2.420 5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.921 -2.646 9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.888 -2.588 6.806 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.428 -2.673 8.949 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.120 -4.341 3.421 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.259 -5.317 2.759 1.00 0.00 C ATOM 1478 C PHE A 95 -2.867 -4.730 2.748 1.00 0.00 C ATOM 1479 O PHE A 95 -2.730 -3.522 2.762 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.662 -5.548 1.285 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.443 -6.801 0.984 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.975 -8.044 1.391 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.610 -6.741 0.242 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.662 -9.202 1.066 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.308 -7.891 -0.081 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.832 -9.128 0.332 1.00 0.00 C ATOM 0 H PHE A 95 -5.180 -3.459 2.913 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.333 -6.266 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.252 -4.692 0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.754 -5.560 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.064 -8.108 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.981 -5.782 -0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.284 -10.162 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.222 -7.827 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.373 -10.029 0.081 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.851 -5.543 2.779 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.496 -5.029 2.626 1.00 0.00 C ATOM 1498 C ILE A 96 0.100 -5.575 1.324 1.00 0.00 C ATOM 1499 O ILE A 96 -0.039 -6.736 1.023 1.00 0.00 O ATOM 1500 CB ILE A 96 0.408 -5.358 3.825 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.244 -4.854 5.106 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.777 -4.715 3.644 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.597 -5.044 6.330 1.00 0.00 C ATOM 0 H ILE A 96 -1.919 -6.553 2.906 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.552 -3.941 2.584 1.00 0.00 H new ATOM 0 HB ILE A 96 0.539 -6.438 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.471 -3.794 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.194 -5.370 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.408 -4.955 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.240 -5.095 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.664 -3.633 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.065 -4.661 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.803 -6.105 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.537 -4.505 6.213 1.00 0.00 H new ATOM 1515 N LEU A 97 0.743 -4.731 0.577 1.00 0.00 N ATOM 1516 CA LEU A 97 1.295 -5.049 -0.713 1.00 0.00 C ATOM 1517 C LEU A 97 2.805 -4.859 -0.575 1.00 0.00 C ATOM 1518 O LEU A 97 3.286 -3.741 -0.405 1.00 0.00 O ATOM 1519 CB LEU A 97 0.651 -4.063 -1.730 1.00 0.00 C ATOM 1520 CG LEU A 97 0.707 -4.318 -3.264 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.798 -3.560 -3.923 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.797 -5.787 -3.611 1.00 0.00 C ATOM 0 H LEU A 97 0.906 -3.764 0.856 1.00 0.00 H new ATOM 0 HA LEU A 97 1.097 -6.064 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.402 -3.977 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.105 -3.088 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.241 -3.948 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.794 -3.772 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.646 -2.492 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.756 -3.857 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.833 -5.903 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.700 -6.210 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.077 -6.308 -3.219 1.00 0.00 H new ATOM 1534 N ARG A 98 3.535 -5.951 -0.547 1.00 0.00 N ATOM 1535 CA ARG A 98 5.000 -5.881 -0.316 1.00 0.00 C ATOM 1536 C ARG A 98 5.679 -6.646 -1.403 1.00 0.00 C ATOM 1537 O ARG A 98 5.018 -7.398 -2.162 1.00 0.00 O ATOM 1538 CB ARG A 98 5.490 -6.598 0.992 1.00 0.00 C ATOM 1539 CG ARG A 98 4.699 -6.481 2.261 1.00 0.00 C ATOM 1540 CD ARG A 98 3.561 -7.467 2.237 1.00 0.00 C ATOM 1541 NE ARG A 98 3.932 -8.755 1.734 1.00 0.00 N ATOM 1542 CZ ARG A 98 3.251 -9.232 0.759 1.00 0.00 C ATOM 1543 NH1 ARG A 98 3.579 -8.869 -0.434 1.00 0.00 N ATOM 1544 NH2 ARG A 98 2.474 -10.276 0.907 1.00 0.00 N ATOM 0 H ARG A 98 3.167 -6.893 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 98 5.230 -4.817 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.579 -7.660 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.495 -6.232 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.341 -6.672 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.313 -5.467 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.167 -7.580 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.755 -7.065 1.624 1.00 0.00 H new ATOM 0 HE ARG A 98 4.711 -9.275 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.356 -8.224 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.061 -9.227 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.399 -10.731 1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.944 -10.634 0.113 1.00 0.00 H new ATOM 1558 N MET A 99 6.962 -6.528 -1.435 1.00 0.00 N ATOM 1559 CA MET A 99 7.773 -7.311 -2.284 1.00 0.00 C ATOM 1560 C MET A 99 8.035 -8.684 -1.648 1.00 0.00 C ATOM 1561 O MET A 99 8.397 -8.786 -0.466 1.00 0.00 O ATOM 1562 CB MET A 99 9.090 -6.609 -2.626 1.00 0.00 C ATOM 1563 CG MET A 99 8.916 -5.364 -3.454 1.00 0.00 C ATOM 1564 SD MET A 99 10.385 -4.887 -4.387 1.00 0.00 S ATOM 1565 CE MET A 99 10.400 -6.167 -5.650 1.00 0.00 C ATOM 0 H MET A 99 7.482 -5.868 -0.856 1.00 0.00 H new ATOM 0 HA MET A 99 7.234 -7.452 -3.221 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.604 -6.350 -1.700 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.733 -7.305 -3.164 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.091 -5.516 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.633 -4.541 -2.798 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.017 -5.844 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.809 -7.087 -5.231 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.383 -6.347 -5.997 1.00 0.00 H new