USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 142:sc= -13.9! (180deg=-17.9!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.732 K(o=-0.73,f=-4!) USER MOD Single : A 19 SER OG : rot -26:sc= -6.16! USER MOD Single : A 21 THR OG1 : rot 120:sc= -3.71! USER MOD Single : A 22 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 25 GLN : amide:sc= -0.992 K(o=-0.99,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0.191 (180deg=0.128) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc=-0.00557 (180deg=-0.219) USER MOD Single : A 34 GLN : amide:sc= -0.331 K(o=-0.33,f=-2!) USER MOD Single : A 40 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 55 THR OG1 : rot 149:sc= -3.54! USER MOD Single : A 57 GLN :FLIP amide:sc= 1.18 F(o=-0.19,f=1.2) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 59 CYS SG : rot 93:sc= -6.45! USER MOD Single : A 63 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.6!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -70:sc= -3.76! USER MOD Single : A 68 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.080 -17.135 0.803 1.00 0.00 N ATOM 2 CA MET A 1 -0.375 -15.725 0.683 1.00 0.00 C ATOM 3 C MET A 1 0.808 -14.785 0.473 1.00 0.00 C ATOM 4 O MET A 1 1.449 -14.358 1.431 1.00 0.00 O ATOM 5 CB MET A 1 -1.097 -15.371 1.988 1.00 0.00 C ATOM 6 CG MET A 1 -2.573 -15.041 1.821 1.00 0.00 C ATOM 7 SD MET A 1 -3.248 -14.179 3.256 1.00 0.00 S ATOM 8 CE MET A 1 -2.078 -12.833 3.387 1.00 0.00 C ATOM 0 H1 MET A 1 -0.743 -17.755 0.945 1.00 0.00 H new ATOM 0 H2 MET A 1 0.578 -17.414 -0.066 1.00 0.00 H new ATOM 0 H3 MET A 1 0.724 -17.224 1.614 1.00 0.00 H new ATOM 0 HA MET A 1 -1.036 -15.615 -0.177 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.000 -16.207 2.681 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.596 -14.518 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.707 -14.424 0.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.133 -15.962 1.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.602 -11.922 3.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.329 -13.074 4.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.589 -12.681 2.425 1.00 0.00 H new ATOM 18 N ILE A 2 1.092 -14.458 -0.783 1.00 0.00 N ATOM 19 CA ILE A 2 2.197 -13.562 -1.099 1.00 0.00 C ATOM 20 C ILE A 2 1.784 -12.549 -2.155 1.00 0.00 C ATOM 21 O ILE A 2 1.328 -12.927 -3.233 1.00 0.00 O ATOM 22 CB ILE A 2 3.435 -14.340 -1.588 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.037 -15.375 -2.640 1.00 0.00 C ATOM 24 CG2 ILE A 2 4.132 -15.014 -0.415 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.212 -16.142 -3.208 1.00 0.00 C ATOM 0 H ILE A 2 0.575 -14.798 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 2 2.459 -13.038 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 2 4.129 -13.635 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.333 -16.080 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.514 -14.872 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.004 -15.560 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.448 -14.258 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.444 -15.708 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.855 -16.859 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.906 -15.447 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.722 -16.674 -2.405 1.00 0.00 H new ATOM 37 N VAL A 3 1.940 -11.259 -1.856 1.00 0.00 N ATOM 38 CA VAL A 3 1.565 -10.239 -2.823 1.00 0.00 C ATOM 39 C VAL A 3 2.576 -9.102 -2.853 1.00 0.00 C ATOM 40 O VAL A 3 3.293 -8.873 -1.881 1.00 0.00 O ATOM 41 CB VAL A 3 0.152 -9.697 -2.535 1.00 0.00 C ATOM 42 CG1 VAL A 3 -0.221 -8.600 -3.517 1.00 0.00 C ATOM 43 CG2 VAL A 3 -0.864 -10.828 -2.592 1.00 0.00 C ATOM 0 H VAL A 3 2.314 -10.906 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 3 1.559 -10.709 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 3 0.148 -9.268 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.223 -8.235 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.492 -7.779 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.200 -8.997 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.859 -10.434 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.850 -11.280 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.612 -11.582 -1.846 1.00 0.00 H new ATOM 53 N PHE A 4 2.629 -8.387 -3.973 1.00 0.00 N ATOM 54 CA PHE A 4 3.551 -7.273 -4.117 1.00 0.00 C ATOM 55 C PHE A 4 2.890 -5.988 -3.647 1.00 0.00 C ATOM 56 O PHE A 4 1.727 -5.731 -3.959 1.00 0.00 O ATOM 57 CB PHE A 4 3.990 -7.130 -5.576 1.00 0.00 C ATOM 58 CG PHE A 4 5.065 -8.096 -5.988 1.00 0.00 C ATOM 59 CD1 PHE A 4 5.008 -9.427 -5.602 1.00 0.00 C ATOM 60 CD2 PHE A 4 6.132 -7.673 -6.764 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.995 -10.315 -5.983 1.00 0.00 C ATOM 62 CE2 PHE A 4 7.122 -8.558 -7.148 1.00 0.00 C ATOM 63 CZ PHE A 4 7.053 -9.880 -6.757 1.00 0.00 C ATOM 0 H PHE A 4 2.044 -8.561 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 4 4.431 -7.467 -3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.123 -7.271 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.347 -6.113 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.183 -9.773 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.191 -6.640 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.939 -11.349 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.948 -8.216 -7.753 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.825 -10.573 -7.056 1.00 0.00 H new ATOM 73 N VAL A 5 3.624 -5.182 -2.891 1.00 0.00 N ATOM 74 CA VAL A 5 3.082 -3.933 -2.385 1.00 0.00 C ATOM 75 C VAL A 5 3.576 -2.740 -3.192 1.00 0.00 C ATOM 76 O VAL A 5 4.774 -2.464 -3.267 1.00 0.00 O ATOM 77 CB VAL A 5 3.429 -3.719 -0.902 1.00 0.00 C ATOM 78 CG1 VAL A 5 3.206 -4.999 -0.128 1.00 0.00 C ATOM 79 CG2 VAL A 5 4.860 -3.234 -0.736 1.00 0.00 C ATOM 0 H VAL A 5 4.588 -5.371 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 5 1.999 -4.007 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 5 2.770 -2.947 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.454 -4.838 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.161 -5.298 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.842 -5.786 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.075 -3.092 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.545 -3.974 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.987 -2.288 -1.262 1.00 0.00 H new ATOM 89 N ARG A 6 2.631 -2.048 -3.793 1.00 0.00 N ATOM 90 CA ARG A 6 2.920 -0.875 -4.607 1.00 0.00 C ATOM 91 C ARG A 6 2.485 0.411 -3.910 1.00 0.00 C ATOM 92 O ARG A 6 1.349 0.525 -3.454 1.00 0.00 O ATOM 93 CB ARG A 6 2.214 -0.992 -5.961 1.00 0.00 C ATOM 94 CG ARG A 6 3.099 -1.526 -7.074 1.00 0.00 C ATOM 95 CD ARG A 6 3.950 -2.689 -6.596 1.00 0.00 C ATOM 96 NE ARG A 6 4.512 -3.451 -7.705 1.00 0.00 N ATOM 97 CZ ARG A 6 5.480 -3.004 -8.500 1.00 0.00 C ATOM 98 NH1 ARG A 6 6.001 -1.798 -8.310 1.00 0.00 N ATOM 99 NH2 ARG A 6 5.931 -3.766 -9.488 1.00 0.00 N ATOM 0 H ARG A 6 1.639 -2.279 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 6 3.999 -0.831 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.349 -1.646 -5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.838 -0.011 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.479 -1.847 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.744 -0.728 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.758 -2.312 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.345 -3.348 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 6 4.140 -4.384 -7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.659 -1.209 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.743 -1.461 -8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.535 -4.694 -9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.673 -3.424 -10.098 1.00 0.00 H new ATOM 113 N PHE A 7 3.384 1.386 -3.866 1.00 0.00 N ATOM 114 CA PHE A 7 3.099 2.688 -3.271 1.00 0.00 C ATOM 115 C PHE A 7 3.135 3.731 -4.379 1.00 0.00 C ATOM 116 O PHE A 7 3.647 3.441 -5.456 1.00 0.00 O ATOM 117 CB PHE A 7 4.105 3.028 -2.165 1.00 0.00 C ATOM 118 CG PHE A 7 5.543 2.889 -2.576 1.00 0.00 C ATOM 119 CD1 PHE A 7 6.118 1.638 -2.732 1.00 0.00 C ATOM 120 CD2 PHE A 7 6.322 4.012 -2.797 1.00 0.00 C ATOM 121 CE1 PHE A 7 7.443 1.510 -3.103 1.00 0.00 C ATOM 122 CE2 PHE A 7 7.649 3.891 -3.167 1.00 0.00 C ATOM 123 CZ PHE A 7 8.209 2.639 -3.320 1.00 0.00 C ATOM 0 H PHE A 7 4.329 1.298 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 7 2.114 2.671 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.931 4.052 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 7 3.919 2.380 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.524 0.753 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.888 4.994 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.879 0.529 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.246 4.775 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.245 2.542 -3.609 1.00 0.00 H new ATOM 133 N ASN A 8 2.568 4.920 -4.155 1.00 0.00 N ATOM 134 CA ASN A 8 2.552 5.936 -5.211 1.00 0.00 C ATOM 135 C ASN A 8 3.974 6.275 -5.658 1.00 0.00 C ATOM 136 O ASN A 8 4.489 7.366 -5.412 1.00 0.00 O ATOM 137 CB ASN A 8 1.842 7.200 -4.721 1.00 0.00 C ATOM 138 CG ASN A 8 2.542 7.836 -3.536 1.00 0.00 C ATOM 139 OD1 ASN A 8 2.866 7.162 -2.557 1.00 0.00 O ATOM 140 ND2 ASN A 8 2.779 9.139 -3.618 1.00 0.00 N ATOM 0 H ASN A 8 2.126 5.198 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 8 2.008 5.532 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.787 7.921 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.817 6.953 -4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.247 9.621 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.493 9.658 -4.448 1.00 0.00 H new ATOM 187 N GLY A 12 7.820 -1.767 -6.210 1.00 0.00 N ATOM 188 CA GLY A 12 7.003 -2.733 -5.498 1.00 0.00 C ATOM 189 C GLY A 12 7.832 -3.636 -4.607 1.00 0.00 C ATOM 190 O GLY A 12 8.998 -3.902 -4.902 1.00 0.00 O ATOM 0 HA2 GLY A 12 6.265 -2.207 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.452 -3.340 -6.216 1.00 0.00 H new ATOM 194 N PHE A 13 7.239 -4.115 -3.514 1.00 0.00 N ATOM 195 CA PHE A 13 7.949 -4.996 -2.596 1.00 0.00 C ATOM 196 C PHE A 13 7.182 -6.301 -2.397 1.00 0.00 C ATOM 197 O PHE A 13 6.068 -6.294 -1.874 1.00 0.00 O ATOM 198 CB PHE A 13 8.161 -4.305 -1.247 1.00 0.00 C ATOM 199 CG PHE A 13 8.970 -5.117 -0.276 1.00 0.00 C ATOM 200 CD1 PHE A 13 10.234 -5.572 -0.618 1.00 0.00 C ATOM 201 CD2 PHE A 13 8.466 -5.424 0.978 1.00 0.00 C ATOM 202 CE1 PHE A 13 10.980 -6.320 0.274 1.00 0.00 C ATOM 203 CE2 PHE A 13 9.209 -6.170 1.874 1.00 0.00 C ATOM 204 CZ PHE A 13 10.467 -6.619 1.521 1.00 0.00 C ATOM 0 H PHE A 13 6.277 -3.908 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 13 8.921 -5.226 -3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.659 -3.349 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.190 -4.086 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.640 -5.340 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.482 -5.077 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.963 -6.670 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.806 -6.402 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 13 11.048 -7.203 2.219 1.00 0.00 H new ATOM 214 N PRO A 14 7.760 -7.445 -2.810 1.00 0.00 N ATOM 215 CA PRO A 14 7.105 -8.746 -2.662 1.00 0.00 C ATOM 216 C PRO A 14 6.936 -9.123 -1.196 1.00 0.00 C ATOM 217 O PRO A 14 7.918 -9.302 -0.476 1.00 0.00 O ATOM 218 CB PRO A 14 8.060 -9.727 -3.358 1.00 0.00 C ATOM 219 CG PRO A 14 8.987 -8.879 -4.164 1.00 0.00 C ATOM 220 CD PRO A 14 9.080 -7.564 -3.447 1.00 0.00 C ATOM 0 HA PRO A 14 6.102 -8.748 -3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.608 -10.324 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.513 -10.423 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.968 -9.347 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.609 -8.744 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.885 -7.560 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.272 -6.741 -4.135 1.00 0.00 H new ATOM 228 N VAL A 15 5.688 -9.227 -0.754 1.00 0.00 N ATOM 229 CA VAL A 15 5.403 -9.565 0.634 1.00 0.00 C ATOM 230 C VAL A 15 4.564 -10.825 0.753 1.00 0.00 C ATOM 231 O VAL A 15 3.704 -11.085 -0.081 1.00 0.00 O ATOM 232 CB VAL A 15 4.658 -8.412 1.334 1.00 0.00 C ATOM 233 CG1 VAL A 15 5.455 -7.137 1.209 1.00 0.00 C ATOM 234 CG2 VAL A 15 3.265 -8.211 0.749 1.00 0.00 C ATOM 0 H VAL A 15 4.861 -9.083 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 15 6.366 -9.737 1.115 1.00 0.00 H new ATOM 0 HB VAL A 15 4.546 -8.673 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.923 -6.325 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.431 -7.271 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.587 -6.892 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.768 -7.390 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.347 -7.975 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.683 -9.124 0.874 1.00 0.00 H new ATOM 244 N GLU A 16 4.794 -11.595 1.810 1.00 0.00 N ATOM 245 CA GLU A 16 4.008 -12.798 2.020 1.00 0.00 C ATOM 246 C GLU A 16 2.724 -12.418 2.741 1.00 0.00 C ATOM 247 O GLU A 16 2.611 -12.562 3.958 1.00 0.00 O ATOM 248 CB GLU A 16 4.794 -13.830 2.829 1.00 0.00 C ATOM 249 CG GLU A 16 4.162 -15.212 2.829 1.00 0.00 C ATOM 250 CD GLU A 16 4.491 -16.004 4.079 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.997 -15.633 5.165 1.00 0.00 O ATOM 252 OE2 GLU A 16 5.245 -16.994 3.973 1.00 0.00 O ATOM 0 H GLU A 16 5.503 -11.411 2.520 1.00 0.00 H new ATOM 0 HA GLU A 16 3.771 -13.250 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.805 -13.902 2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.884 -13.481 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.080 -15.113 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.504 -15.764 1.953 1.00 0.00 H new ATOM 259 N VAL A 17 1.755 -11.945 1.958 1.00 0.00 N ATOM 260 CA VAL A 17 0.451 -11.532 2.463 1.00 0.00 C ATOM 261 C VAL A 17 -0.525 -11.340 1.304 1.00 0.00 C ATOM 262 O VAL A 17 -0.211 -11.640 0.154 1.00 0.00 O ATOM 263 CB VAL A 17 0.488 -10.208 3.283 1.00 0.00 C ATOM 264 CG1 VAL A 17 1.809 -10.011 3.978 1.00 0.00 C ATOM 265 CG2 VAL A 17 0.192 -8.993 2.414 1.00 0.00 C ATOM 0 H VAL A 17 1.856 -11.838 0.949 1.00 0.00 H new ATOM 0 HA VAL A 17 0.129 -12.331 3.131 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.294 -10.301 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.790 -9.076 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.987 -10.840 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.608 -9.974 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.228 -8.091 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.936 -8.923 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.800 -9.094 1.974 1.00 0.00 H new ATOM 275 N ASP A 18 -1.675 -10.754 1.618 1.00 0.00 N ATOM 276 CA ASP A 18 -2.666 -10.415 0.621 1.00 0.00 C ATOM 277 C ASP A 18 -2.739 -8.895 0.589 1.00 0.00 C ATOM 278 O ASP A 18 -3.120 -8.263 1.574 1.00 0.00 O ATOM 279 CB ASP A 18 -4.026 -11.022 0.969 1.00 0.00 C ATOM 280 CG ASP A 18 -4.162 -12.452 0.485 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.475 -12.815 -0.493 1.00 0.00 O ATOM 282 OD2 ASP A 18 -4.955 -13.210 1.082 1.00 0.00 O ATOM 0 H ASP A 18 -1.940 -10.504 2.571 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.392 -10.815 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.168 -10.992 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.816 -10.415 0.526 1.00 0.00 H new ATOM 287 N SER A 19 -2.314 -8.306 -0.515 1.00 0.00 N ATOM 288 CA SER A 19 -2.285 -6.851 -0.617 1.00 0.00 C ATOM 289 C SER A 19 -3.583 -6.258 -1.169 1.00 0.00 C ATOM 290 O SER A 19 -3.645 -5.057 -1.418 1.00 0.00 O ATOM 291 CB SER A 19 -1.076 -6.383 -1.438 1.00 0.00 C ATOM 292 OG SER A 19 -0.951 -4.974 -1.396 1.00 0.00 O ATOM 0 H SER A 19 -1.988 -8.801 -1.345 1.00 0.00 H new ATOM 0 HA SER A 19 -2.186 -6.475 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.168 -6.844 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.184 -6.712 -2.472 1.00 0.00 H new ATOM 0 HG SER A 19 -1.830 -4.572 -1.231 1.00 0.00 H new ATOM 298 N ASP A 20 -4.628 -7.075 -1.329 1.00 0.00 N ATOM 299 CA ASP A 20 -5.912 -6.560 -1.822 1.00 0.00 C ATOM 300 C ASP A 20 -7.048 -6.830 -0.841 1.00 0.00 C ATOM 301 O ASP A 20 -8.092 -6.183 -0.908 1.00 0.00 O ATOM 302 CB ASP A 20 -6.262 -7.112 -3.201 1.00 0.00 C ATOM 303 CG ASP A 20 -5.432 -8.315 -3.587 1.00 0.00 C ATOM 304 OD1 ASP A 20 -5.144 -9.148 -2.702 1.00 0.00 O ATOM 305 OD2 ASP A 20 -5.062 -8.415 -4.774 1.00 0.00 O ATOM 0 H ASP A 20 -4.615 -8.075 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.791 -5.481 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.317 -7.385 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.123 -6.328 -3.945 1.00 0.00 H new ATOM 310 N THR A 21 -6.831 -7.781 0.062 1.00 0.00 N ATOM 311 CA THR A 21 -7.806 -8.152 1.079 1.00 0.00 C ATOM 312 C THR A 21 -8.503 -6.920 1.647 1.00 0.00 C ATOM 313 O THR A 21 -8.203 -5.798 1.247 1.00 0.00 O ATOM 314 CB THR A 21 -7.137 -8.963 2.173 1.00 0.00 C ATOM 315 OG1 THR A 21 -7.865 -8.883 3.383 1.00 0.00 O ATOM 316 CG2 THR A 21 -5.714 -8.537 2.448 1.00 0.00 C ATOM 0 H THR A 21 -5.966 -8.320 0.108 1.00 0.00 H new ATOM 0 HA THR A 21 -8.573 -8.772 0.615 1.00 0.00 H new ATOM 0 HB THR A 21 -7.121 -9.988 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.152 -9.781 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.295 -9.157 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.118 -8.653 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.701 -7.493 2.760 1.00 0.00 H new ATOM 324 N SER A 22 -9.481 -7.109 2.529 1.00 0.00 N ATOM 325 CA SER A 22 -10.244 -5.985 3.054 1.00 0.00 C ATOM 326 C SER A 22 -9.369 -4.774 3.344 1.00 0.00 C ATOM 327 O SER A 22 -8.157 -4.891 3.555 1.00 0.00 O ATOM 328 CB SER A 22 -10.990 -6.400 4.322 1.00 0.00 C ATOM 329 OG SER A 22 -11.812 -5.349 4.799 1.00 0.00 O ATOM 0 H SER A 22 -9.760 -8.021 2.891 1.00 0.00 H new ATOM 0 HA SER A 22 -10.958 -5.696 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.601 -7.279 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.273 -6.683 5.093 1.00 0.00 H new ATOM 0 HG SER A 22 -12.279 -5.641 5.609 1.00 0.00 H new ATOM 335 N ILE A 23 -10.011 -3.609 3.313 1.00 0.00 N ATOM 336 CA ILE A 23 -9.339 -2.335 3.525 1.00 0.00 C ATOM 337 C ILE A 23 -8.392 -2.389 4.718 1.00 0.00 C ATOM 338 O ILE A 23 -7.282 -1.861 4.660 1.00 0.00 O ATOM 339 CB ILE A 23 -10.377 -1.217 3.742 1.00 0.00 C ATOM 340 CG1 ILE A 23 -9.690 0.135 3.950 1.00 0.00 C ATOM 341 CG2 ILE A 23 -11.270 -1.551 4.927 1.00 0.00 C ATOM 342 CD1 ILE A 23 -10.503 1.309 3.450 1.00 0.00 C ATOM 0 H ILE A 23 -11.013 -3.524 3.140 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.750 -2.123 2.633 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.996 -1.145 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.486 0.270 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.727 0.127 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.999 -0.753 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.791 -2.489 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.661 -1.650 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.955 2.234 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.685 1.197 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.456 1.343 3.978 1.00 0.00 H new ATOM 354 N PHE A 24 -8.830 -3.037 5.788 1.00 0.00 N ATOM 355 CA PHE A 24 -8.017 -3.160 6.989 1.00 0.00 C ATOM 356 C PHE A 24 -6.738 -3.950 6.719 1.00 0.00 C ATOM 357 O PHE A 24 -5.647 -3.539 7.117 1.00 0.00 O ATOM 358 CB PHE A 24 -8.819 -3.831 8.104 1.00 0.00 C ATOM 359 CG PHE A 24 -9.801 -2.912 8.773 1.00 0.00 C ATOM 360 CD1 PHE A 24 -11.034 -2.652 8.193 1.00 0.00 C ATOM 361 CD2 PHE A 24 -9.492 -2.307 9.981 1.00 0.00 C ATOM 362 CE1 PHE A 24 -11.938 -1.807 8.806 1.00 0.00 C ATOM 363 CE2 PHE A 24 -10.393 -1.460 10.597 1.00 0.00 C ATOM 364 CZ PHE A 24 -11.618 -1.209 10.010 1.00 0.00 C ATOM 0 H PHE A 24 -9.744 -3.486 5.849 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.734 -2.155 7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.356 -4.685 7.691 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.129 -4.220 8.853 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.290 -3.116 7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.536 -2.500 10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -12.895 -1.614 8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.140 -0.994 11.538 1.00 0.00 H new ATOM 0 HZ PHE A 24 -12.324 -0.547 10.491 1.00 0.00 H new ATOM 374 N GLN A 25 -6.873 -5.101 6.074 1.00 0.00 N ATOM 375 CA GLN A 25 -5.723 -5.944 5.799 1.00 0.00 C ATOM 376 C GLN A 25 -4.654 -5.235 4.968 1.00 0.00 C ATOM 377 O GLN A 25 -3.572 -4.935 5.481 1.00 0.00 O ATOM 378 CB GLN A 25 -6.171 -7.214 5.093 1.00 0.00 C ATOM 379 CG GLN A 25 -7.218 -8.000 5.870 1.00 0.00 C ATOM 380 CD GLN A 25 -6.818 -8.242 7.313 1.00 0.00 C ATOM 381 OE1 GLN A 25 -6.711 -7.305 8.105 1.00 0.00 O ATOM 382 NE2 GLN A 25 -6.595 -9.503 7.662 1.00 0.00 N ATOM 0 H GLN A 25 -7.762 -5.468 5.734 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.269 -6.189 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.575 -6.954 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.303 -7.851 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.164 -7.459 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.386 -8.958 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.695 -10.248 6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.323 -9.727 8.619 1.00 0.00 H new ATOM 391 N LEU A 26 -4.923 -4.995 3.678 1.00 0.00 N ATOM 392 CA LEU A 26 -3.913 -4.354 2.825 1.00 0.00 C ATOM 393 C LEU A 26 -3.359 -3.103 3.483 1.00 0.00 C ATOM 394 O LEU A 26 -2.148 -2.982 3.658 1.00 0.00 O ATOM 395 CB LEU A 26 -4.433 -4.004 1.421 1.00 0.00 C ATOM 396 CG LEU A 26 -5.937 -4.113 1.191 1.00 0.00 C ATOM 397 CD1 LEU A 26 -6.702 -3.209 2.135 1.00 0.00 C ATOM 398 CD2 LEU A 26 -6.268 -3.753 -0.247 1.00 0.00 C ATOM 0 H LEU A 26 -5.801 -5.226 3.213 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.120 -5.092 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.129 -2.983 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.933 -4.654 0.703 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.236 -5.143 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.771 -3.308 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.486 -3.493 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.400 -2.174 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.344 -3.833 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.947 -2.731 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.751 -4.436 -0.921 1.00 0.00 H new ATOM 410 N LYS A 27 -4.242 -2.177 3.854 1.00 0.00 N ATOM 411 CA LYS A 27 -3.821 -0.944 4.501 1.00 0.00 C ATOM 412 C LYS A 27 -2.758 -1.229 5.559 1.00 0.00 C ATOM 413 O LYS A 27 -1.794 -0.473 5.704 1.00 0.00 O ATOM 414 CB LYS A 27 -5.033 -0.241 5.130 1.00 0.00 C ATOM 415 CG LYS A 27 -5.476 -0.830 6.467 1.00 0.00 C ATOM 416 CD LYS A 27 -6.398 0.112 7.230 1.00 0.00 C ATOM 417 CE LYS A 27 -6.661 -0.364 8.656 1.00 0.00 C ATOM 418 NZ LYS A 27 -5.801 -1.518 9.048 1.00 0.00 N ATOM 0 H LYS A 27 -5.249 -2.260 3.716 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.385 -0.286 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.794 0.813 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.868 -0.287 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.988 -1.777 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.598 -1.049 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.955 1.107 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.345 0.200 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.490 0.462 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.709 -0.649 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.045 -1.821 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.956 -2.306 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.802 -1.232 9.018 1.00 0.00 H new ATOM 432 N GLU A 28 -2.945 -2.318 6.303 1.00 0.00 N ATOM 433 CA GLU A 28 -2.004 -2.681 7.353 1.00 0.00 C ATOM 434 C GLU A 28 -0.645 -3.075 6.781 1.00 0.00 C ATOM 435 O GLU A 28 0.361 -2.436 7.074 1.00 0.00 O ATOM 436 CB GLU A 28 -2.568 -3.824 8.200 1.00 0.00 C ATOM 437 CG GLU A 28 -2.339 -3.645 9.692 1.00 0.00 C ATOM 438 CD GLU A 28 -3.568 -3.982 10.516 1.00 0.00 C ATOM 439 OE1 GLU A 28 -4.059 -5.125 10.408 1.00 0.00 O ATOM 440 OE2 GLU A 28 -4.038 -3.102 11.267 1.00 0.00 O ATOM 0 H GLU A 28 -3.733 -2.957 6.197 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.860 -1.803 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.638 -3.910 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.112 -4.761 7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.510 -4.279 10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.045 -2.614 9.890 1.00 0.00 H new ATOM 447 N VAL A 29 -0.613 -4.128 5.968 1.00 0.00 N ATOM 448 CA VAL A 29 0.648 -4.584 5.380 1.00 0.00 C ATOM 449 C VAL A 29 1.422 -3.422 4.753 1.00 0.00 C ATOM 450 O VAL A 29 2.597 -3.210 5.058 1.00 0.00 O ATOM 451 CB VAL A 29 0.432 -5.685 4.314 1.00 0.00 C ATOM 452 CG1 VAL A 29 1.767 -6.153 3.747 1.00 0.00 C ATOM 453 CG2 VAL A 29 -0.335 -6.866 4.896 1.00 0.00 C ATOM 0 H VAL A 29 -1.431 -4.676 5.703 1.00 0.00 H new ATOM 0 HA VAL A 29 1.230 -5.006 6.199 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.160 -5.256 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.594 -6.927 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.281 -5.311 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.382 -6.557 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.473 -7.625 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.227 -7.291 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.309 -6.528 5.251 1.00 0.00 H new ATOM 463 N VAL A 30 0.759 -2.677 3.875 1.00 0.00 N ATOM 464 CA VAL A 30 1.394 -1.544 3.199 1.00 0.00 C ATOM 465 C VAL A 30 1.841 -0.458 4.163 1.00 0.00 C ATOM 466 O VAL A 30 3.028 -0.267 4.403 1.00 0.00 O ATOM 467 CB VAL A 30 0.442 -0.853 2.192 1.00 0.00 C ATOM 468 CG1 VAL A 30 -0.963 -0.749 2.762 1.00 0.00 C ATOM 469 CG2 VAL A 30 0.951 0.547 1.878 1.00 0.00 C ATOM 0 H VAL A 30 -0.214 -2.834 3.613 1.00 0.00 H new ATOM 0 HA VAL A 30 2.252 -1.985 2.692 1.00 0.00 H new ATOM 0 HB VAL A 30 0.415 -1.454 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.614 -0.260 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.344 -1.748 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.940 -0.164 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.277 1.029 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.992 1.134 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.949 0.483 1.444 1.00 0.00 H new ATOM 479 N ALA A 31 0.860 0.283 4.657 1.00 0.00 N ATOM 480 CA ALA A 31 1.095 1.402 5.532 1.00 0.00 C ATOM 481 C ALA A 31 1.919 1.030 6.765 1.00 0.00 C ATOM 482 O ALA A 31 2.801 1.788 7.170 1.00 0.00 O ATOM 483 CB ALA A 31 -0.234 2.017 5.904 1.00 0.00 C ATOM 0 H ALA A 31 -0.126 0.116 4.455 1.00 0.00 H new ATOM 0 HA ALA A 31 1.699 2.137 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.069 2.866 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.744 2.355 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.849 1.274 6.412 1.00 0.00 H new ATOM 489 N LYS A 32 1.658 -0.134 7.357 1.00 0.00 N ATOM 490 CA LYS A 32 2.425 -0.556 8.527 1.00 0.00 C ATOM 491 C LYS A 32 3.890 -0.707 8.147 1.00 0.00 C ATOM 492 O LYS A 32 4.783 -0.211 8.835 1.00 0.00 O ATOM 493 CB LYS A 32 1.891 -1.872 9.094 1.00 0.00 C ATOM 494 CG LYS A 32 2.463 -2.219 10.458 1.00 0.00 C ATOM 495 CD LYS A 32 2.357 -3.709 10.745 1.00 0.00 C ATOM 496 CE LYS A 32 3.465 -4.491 10.057 1.00 0.00 C ATOM 497 NZ LYS A 32 2.956 -5.276 8.900 1.00 0.00 N ATOM 0 H LYS A 32 0.937 -0.789 7.054 1.00 0.00 H new ATOM 0 HA LYS A 32 2.324 0.206 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.805 -1.813 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.119 -2.678 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.508 -1.912 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.932 -1.660 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.406 -3.877 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.388 -4.077 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.238 -3.802 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.933 -5.165 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.613 -6.055 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.019 -5.664 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.880 -4.658 8.067 1.00 0.00 H new ATOM 511 N ARG A 33 4.121 -1.380 7.026 1.00 0.00 N ATOM 512 CA ARG A 33 5.471 -1.584 6.521 1.00 0.00 C ATOM 513 C ARG A 33 5.950 -0.346 5.762 1.00 0.00 C ATOM 514 O ARG A 33 7.132 -0.219 5.444 1.00 0.00 O ATOM 515 CB ARG A 33 5.512 -2.808 5.609 1.00 0.00 C ATOM 516 CG ARG A 33 5.104 -4.097 6.308 1.00 0.00 C ATOM 517 CD ARG A 33 6.198 -5.154 6.229 1.00 0.00 C ATOM 518 NE ARG A 33 6.530 -5.697 7.544 1.00 0.00 N ATOM 519 CZ ARG A 33 7.654 -6.358 7.811 1.00 0.00 C ATOM 520 NH1 ARG A 33 8.556 -6.561 6.858 1.00 0.00 N ATOM 521 NH2 ARG A 33 7.877 -6.818 9.035 1.00 0.00 N ATOM 0 H ARG A 33 3.389 -1.794 6.449 1.00 0.00 H new ATOM 0 HA ARG A 33 6.137 -1.752 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.852 -2.640 4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.521 -2.922 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.876 -3.887 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.192 -4.484 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.874 -5.963 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.091 -4.719 5.780 1.00 0.00 H new ATOM 0 HE ARG A 33 5.861 -5.562 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.390 -6.210 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.415 -7.068 7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.187 -6.665 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.738 -7.325 9.240 1.00 0.00 H new ATOM 535 N GLN A 34 5.018 0.562 5.474 1.00 0.00 N ATOM 536 CA GLN A 34 5.328 1.790 4.754 1.00 0.00 C ATOM 537 C GLN A 34 5.822 2.881 5.711 1.00 0.00 C ATOM 538 O GLN A 34 6.149 3.990 5.291 1.00 0.00 O ATOM 539 CB GLN A 34 4.076 2.266 3.993 1.00 0.00 C ATOM 540 CG GLN A 34 4.313 3.487 3.119 1.00 0.00 C ATOM 541 CD GLN A 34 4.229 3.170 1.638 1.00 0.00 C ATOM 542 OE1 GLN A 34 3.248 3.507 0.974 1.00 0.00 O ATOM 543 NE2 GLN A 34 5.260 2.518 1.113 1.00 0.00 N ATOM 0 H GLN A 34 4.036 0.466 5.732 1.00 0.00 H new ATOM 0 HA GLN A 34 6.129 1.588 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.710 1.450 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.290 2.494 4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.578 4.253 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.295 3.904 3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.052 2.258 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.260 2.277 0.122 1.00 0.00 H new ATOM 552 N GLY A 35 5.861 2.561 7.003 1.00 0.00 N ATOM 553 CA GLY A 35 6.294 3.529 7.999 1.00 0.00 C ATOM 554 C GLY A 35 5.293 4.653 8.084 1.00 0.00 C ATOM 555 O GLY A 35 5.639 5.822 8.252 1.00 0.00 O ATOM 0 H GLY A 35 5.601 1.649 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.395 3.045 8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.276 3.923 7.735 1.00 0.00 H new ATOM 559 N VAL A 36 4.041 4.267 7.901 1.00 0.00 N ATOM 560 CA VAL A 36 2.918 5.180 7.877 1.00 0.00 C ATOM 561 C VAL A 36 1.730 4.540 8.612 1.00 0.00 C ATOM 562 O VAL A 36 1.877 3.457 9.178 1.00 0.00 O ATOM 563 CB VAL A 36 2.573 5.505 6.404 1.00 0.00 C ATOM 564 CG1 VAL A 36 3.843 5.614 5.574 1.00 0.00 C ATOM 565 CG2 VAL A 36 1.671 4.439 5.813 1.00 0.00 C ATOM 0 H VAL A 36 3.775 3.292 7.763 1.00 0.00 H new ATOM 0 HA VAL A 36 3.163 6.112 8.386 1.00 0.00 H new ATOM 0 HB VAL A 36 2.048 6.460 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.584 5.843 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.472 6.409 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.384 4.669 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.442 4.689 4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.176 3.474 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.746 4.387 6.386 1.00 0.00 H new ATOM 575 N PRO A 37 0.527 5.150 8.591 1.00 0.00 N ATOM 576 CA PRO A 37 -0.663 4.571 9.230 1.00 0.00 C ATOM 577 C PRO A 37 -1.043 3.303 8.530 1.00 0.00 C ATOM 578 O PRO A 37 -0.181 2.509 8.173 1.00 0.00 O ATOM 579 CB PRO A 37 -1.739 5.609 8.989 1.00 0.00 C ATOM 580 CG PRO A 37 -1.318 6.168 7.705 1.00 0.00 C ATOM 581 CD PRO A 37 0.157 6.395 7.888 1.00 0.00 C ATOM 0 HA PRO A 37 -0.510 4.340 10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.733 5.166 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.766 6.363 9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.519 5.481 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.842 7.097 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.681 6.509 6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.371 7.286 8.479 1.00 0.00 H new ATOM 589 N ALA A 38 -2.338 3.099 8.364 1.00 0.00 N ATOM 590 CA ALA A 38 -2.845 1.937 7.713 1.00 0.00 C ATOM 591 C ALA A 38 -3.476 2.259 6.345 1.00 0.00 C ATOM 592 O ALA A 38 -2.913 1.945 5.297 1.00 0.00 O ATOM 593 CB ALA A 38 -3.863 1.365 8.634 1.00 0.00 C ATOM 0 H ALA A 38 -3.058 3.746 8.684 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.036 1.236 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.292 0.467 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.393 1.111 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.652 2.097 8.804 1.00 0.00 H new ATOM 599 N ASP A 39 -4.680 2.848 6.383 1.00 0.00 N ATOM 600 CA ASP A 39 -5.450 3.181 5.175 1.00 0.00 C ATOM 601 C ASP A 39 -5.595 4.686 4.960 1.00 0.00 C ATOM 602 O ASP A 39 -6.656 5.154 4.546 1.00 0.00 O ATOM 603 CB ASP A 39 -6.839 2.536 5.234 1.00 0.00 C ATOM 604 CG ASP A 39 -7.639 2.757 3.963 1.00 0.00 C ATOM 605 OD1 ASP A 39 -7.371 2.059 2.963 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.533 3.629 3.970 1.00 0.00 O ATOM 0 H ASP A 39 -5.148 3.107 7.252 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.888 2.783 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.731 1.466 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.390 2.945 6.081 1.00 0.00 H new ATOM 611 N GLN A 40 -4.555 5.446 5.260 1.00 0.00 N ATOM 612 CA GLN A 40 -4.613 6.900 5.109 1.00 0.00 C ATOM 613 C GLN A 40 -5.305 7.298 3.801 1.00 0.00 C ATOM 614 O GLN A 40 -6.405 7.850 3.819 1.00 0.00 O ATOM 615 CB GLN A 40 -3.196 7.471 5.138 1.00 0.00 C ATOM 616 CG GLN A 40 -3.099 8.921 4.685 1.00 0.00 C ATOM 617 CD GLN A 40 -3.833 9.871 5.611 1.00 0.00 C ATOM 618 OE1 GLN A 40 -3.261 10.385 6.572 1.00 0.00 O ATOM 619 NE2 GLN A 40 -5.107 10.112 5.325 1.00 0.00 N ATOM 0 H GLN A 40 -3.665 5.089 5.607 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.195 7.307 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.805 7.392 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.557 6.859 4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.050 9.211 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.508 9.012 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.542 9.664 4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.651 10.745 5.912 1.00 0.00 H new ATOM 628 N LEU A 41 -4.662 7.019 2.676 1.00 0.00 N ATOM 629 CA LEU A 41 -5.219 7.351 1.377 1.00 0.00 C ATOM 630 C LEU A 41 -6.041 6.178 0.808 1.00 0.00 C ATOM 631 O LEU A 41 -6.828 5.571 1.535 1.00 0.00 O ATOM 632 CB LEU A 41 -4.077 7.756 0.450 1.00 0.00 C ATOM 633 CG LEU A 41 -4.388 8.897 -0.510 1.00 0.00 C ATOM 634 CD1 LEU A 41 -4.943 10.096 0.246 1.00 0.00 C ATOM 635 CD2 LEU A 41 -3.137 9.279 -1.281 1.00 0.00 C ATOM 0 H LEU A 41 -3.751 6.562 2.639 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.911 8.188 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.220 8.041 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.778 6.885 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.147 8.565 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.159 10.901 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.859 9.809 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.209 10.438 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.367 10.095 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.363 9.598 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.782 8.419 -1.848 1.00 0.00 H new ATOM 647 N ARG A 42 -5.880 5.867 -0.484 1.00 0.00 N ATOM 648 CA ARG A 42 -6.637 4.778 -1.108 1.00 0.00 C ATOM 649 C ARG A 42 -5.748 3.605 -1.527 1.00 0.00 C ATOM 650 O ARG A 42 -4.742 3.779 -2.212 1.00 0.00 O ATOM 651 CB ARG A 42 -7.389 5.298 -2.331 1.00 0.00 C ATOM 652 CG ARG A 42 -8.633 6.101 -1.988 1.00 0.00 C ATOM 653 CD ARG A 42 -9.354 6.580 -3.238 1.00 0.00 C ATOM 654 NE ARG A 42 -9.573 8.025 -3.222 1.00 0.00 N ATOM 655 CZ ARG A 42 -8.644 8.921 -3.549 1.00 0.00 C ATOM 656 NH1 ARG A 42 -7.432 8.526 -3.918 1.00 0.00 N ATOM 657 NH2 ARG A 42 -8.927 10.215 -3.505 1.00 0.00 N ATOM 0 H ARG A 42 -5.238 6.350 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.337 4.411 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.717 5.920 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.674 4.453 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.308 5.489 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.355 6.959 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.771 6.311 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.313 6.069 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.493 8.368 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.208 7.531 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.724 9.217 -4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.856 10.524 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.215 10.901 -3.755 1.00 0.00 H new ATOM 671 N VAL A 43 -6.154 2.402 -1.139 1.00 0.00 N ATOM 672 CA VAL A 43 -5.420 1.190 -1.491 1.00 0.00 C ATOM 673 C VAL A 43 -6.181 0.426 -2.581 1.00 0.00 C ATOM 674 O VAL A 43 -7.402 0.291 -2.509 1.00 0.00 O ATOM 675 CB VAL A 43 -5.187 0.304 -0.247 1.00 0.00 C ATOM 676 CG1 VAL A 43 -4.020 -0.637 -0.469 1.00 0.00 C ATOM 677 CG2 VAL A 43 -4.930 1.172 0.976 1.00 0.00 C ATOM 0 H VAL A 43 -6.990 2.238 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.440 1.469 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.084 -0.291 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.874 -1.251 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.228 -1.280 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.117 -0.058 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.767 0.536 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.047 1.787 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.792 1.815 1.153 1.00 0.00 H new ATOM 687 N ILE A 44 -5.467 -0.023 -3.620 1.00 0.00 N ATOM 688 CA ILE A 44 -6.108 -0.709 -4.750 1.00 0.00 C ATOM 689 C ILE A 44 -5.282 -1.898 -5.258 1.00 0.00 C ATOM 690 O ILE A 44 -4.093 -1.986 -4.993 1.00 0.00 O ATOM 691 CB ILE A 44 -6.332 0.300 -5.908 1.00 0.00 C ATOM 692 CG1 ILE A 44 -7.441 1.290 -5.546 1.00 0.00 C ATOM 693 CG2 ILE A 44 -6.659 -0.405 -7.218 1.00 0.00 C ATOM 694 CD1 ILE A 44 -7.083 2.731 -5.840 1.00 0.00 C ATOM 0 H ILE A 44 -4.455 0.074 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.061 -1.102 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.400 0.846 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.345 1.029 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.674 1.191 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.809 0.337 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.835 -1.063 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.568 -0.994 -7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.915 3.377 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.198 3.010 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.879 2.845 -6.905 1.00 0.00 H new ATOM 706 N PHE A 45 -5.917 -2.791 -6.025 1.00 0.00 N ATOM 707 CA PHE A 45 -5.211 -3.937 -6.597 1.00 0.00 C ATOM 708 C PHE A 45 -5.577 -4.150 -8.059 1.00 0.00 C ATOM 709 O PHE A 45 -6.518 -4.873 -8.376 1.00 0.00 O ATOM 710 CB PHE A 45 -5.503 -5.218 -5.808 1.00 0.00 C ATOM 711 CG PHE A 45 -5.344 -6.476 -6.622 1.00 0.00 C ATOM 712 CD1 PHE A 45 -4.110 -6.980 -6.953 1.00 0.00 C ATOM 713 CD2 PHE A 45 -6.448 -7.113 -7.085 1.00 0.00 C ATOM 714 CE1 PHE A 45 -3.985 -8.103 -7.739 1.00 0.00 C ATOM 715 CE2 PHE A 45 -6.352 -8.241 -7.867 1.00 0.00 C ATOM 716 CZ PHE A 45 -5.113 -8.738 -8.202 1.00 0.00 C ATOM 0 H PHE A 45 -6.908 -2.742 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.146 -3.713 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.836 -5.265 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.521 -5.172 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.221 -6.486 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.425 -6.726 -6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.006 -8.483 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.246 -8.735 -8.217 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.028 -9.618 -8.822 1.00 0.00 H new ATOM 726 N ALA A 46 -4.845 -3.496 -8.948 1.00 0.00 N ATOM 727 CA ALA A 46 -5.110 -3.609 -10.375 1.00 0.00 C ATOM 728 C ALA A 46 -6.323 -2.761 -10.749 1.00 0.00 C ATOM 729 O ALA A 46 -7.070 -3.083 -11.674 1.00 0.00 O ATOM 730 CB ALA A 46 -5.313 -5.072 -10.760 1.00 0.00 C ATOM 0 H ALA A 46 -4.065 -2.883 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.251 -3.234 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.510 -5.143 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.414 -5.640 -10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.159 -5.480 -10.207 1.00 0.00 H new ATOM 736 N GLY A 47 -6.486 -1.661 -10.021 1.00 0.00 N ATOM 737 CA GLY A 47 -7.582 -0.734 -10.267 1.00 0.00 C ATOM 738 C GLY A 47 -8.771 -0.927 -9.350 1.00 0.00 C ATOM 739 O GLY A 47 -9.570 -0.005 -9.177 1.00 0.00 O ATOM 0 H GLY A 47 -5.870 -1.390 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.213 0.286 -10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.912 -0.844 -11.300 1.00 0.00 H new ATOM 743 N LYS A 48 -8.906 -2.105 -8.755 1.00 0.00 N ATOM 744 CA LYS A 48 -10.023 -2.358 -7.859 1.00 0.00 C ATOM 745 C LYS A 48 -9.641 -1.988 -6.430 1.00 0.00 C ATOM 746 O LYS A 48 -8.699 -2.536 -5.861 1.00 0.00 O ATOM 747 CB LYS A 48 -10.462 -3.821 -7.955 1.00 0.00 C ATOM 748 CG LYS A 48 -9.363 -4.816 -7.622 1.00 0.00 C ATOM 749 CD LYS A 48 -9.307 -5.945 -8.639 1.00 0.00 C ATOM 750 CE LYS A 48 -8.718 -5.483 -9.962 1.00 0.00 C ATOM 751 NZ LYS A 48 -9.490 -6.004 -11.124 1.00 0.00 N ATOM 0 H LYS A 48 -8.265 -2.889 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.867 -1.736 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.302 -3.983 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.822 -4.017 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.402 -4.302 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.533 -5.229 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.708 -6.764 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.311 -6.335 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.705 -4.394 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.683 -5.816 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.057 -5.667 -12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.481 -7.044 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.472 -5.665 -11.068 1.00 0.00 H new ATOM 765 N GLU A 49 -10.350 -1.004 -5.887 1.00 0.00 N ATOM 766 CA GLU A 49 -10.072 -0.485 -4.547 1.00 0.00 C ATOM 767 C GLU A 49 -10.461 -1.448 -3.420 1.00 0.00 C ATOM 768 O GLU A 49 -11.548 -2.026 -3.413 1.00 0.00 O ATOM 769 CB GLU A 49 -10.800 0.847 -4.353 1.00 0.00 C ATOM 770 CG GLU A 49 -10.229 1.697 -3.229 1.00 0.00 C ATOM 771 CD GLU A 49 -11.285 2.137 -2.233 1.00 0.00 C ATOM 772 OE1 GLU A 49 -12.311 1.434 -2.104 1.00 0.00 O ATOM 773 OE2 GLU A 49 -11.088 3.184 -1.581 1.00 0.00 O ATOM 0 H GLU A 49 -11.129 -0.544 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.992 -0.353 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.757 1.414 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.852 0.650 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.457 1.131 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.747 2.577 -3.654 1.00 0.00 H new ATOM 780 N LEU A 50 -9.524 -1.594 -2.476 1.00 0.00 N ATOM 781 CA LEU A 50 -9.647 -2.461 -1.294 1.00 0.00 C ATOM 782 C LEU A 50 -11.066 -2.950 -0.996 1.00 0.00 C ATOM 783 O LEU A 50 -11.747 -2.423 -0.117 1.00 0.00 O ATOM 784 CB LEU A 50 -9.103 -1.730 -0.063 1.00 0.00 C ATOM 785 CG LEU A 50 -9.321 -0.216 -0.052 1.00 0.00 C ATOM 786 CD1 LEU A 50 -10.779 0.113 0.229 1.00 0.00 C ATOM 787 CD2 LEU A 50 -8.413 0.440 0.978 1.00 0.00 C ATOM 0 H LEU A 50 -8.633 -1.099 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.064 -3.352 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.569 -2.154 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.034 -1.927 0.013 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.068 0.178 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.914 1.195 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.407 -0.328 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.062 -0.291 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.578 1.517 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.637 0.041 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.372 0.232 0.730 1.00 0.00 H new ATOM 799 N ARG A 51 -11.473 -4.003 -1.690 1.00 0.00 N ATOM 800 CA ARG A 51 -12.767 -4.628 -1.468 1.00 0.00 C ATOM 801 C ARG A 51 -12.550 -6.023 -0.886 1.00 0.00 C ATOM 802 O ARG A 51 -11.906 -6.863 -1.505 1.00 0.00 O ATOM 803 CB ARG A 51 -13.568 -4.703 -2.763 1.00 0.00 C ATOM 804 CG ARG A 51 -14.445 -3.485 -3.001 1.00 0.00 C ATOM 805 CD ARG A 51 -15.767 -3.587 -2.255 1.00 0.00 C ATOM 806 NE ARG A 51 -15.578 -3.913 -0.843 1.00 0.00 N ATOM 807 CZ ARG A 51 -15.403 -3.005 0.115 1.00 0.00 C ATOM 808 NH1 ARG A 51 -15.394 -1.710 -0.177 1.00 0.00 N ATOM 809 NH2 ARG A 51 -15.235 -3.393 1.372 1.00 0.00 N ATOM 0 H ARG A 51 -10.917 -4.447 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.341 -4.024 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.880 -4.816 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.195 -5.595 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.915 -2.588 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.637 -3.378 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.304 -2.642 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.389 -4.350 -2.723 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.580 -4.897 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.522 -1.404 -1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.259 -1.021 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.240 -4.386 1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.101 -2.698 2.107 1.00 0.00 H new ATOM 823 N ASN A 52 -13.063 -6.229 0.316 1.00 0.00 N ATOM 824 CA ASN A 52 -12.914 -7.483 1.056 1.00 0.00 C ATOM 825 C ASN A 52 -13.258 -8.730 0.236 1.00 0.00 C ATOM 826 O ASN A 52 -12.589 -9.753 0.371 1.00 0.00 O ATOM 827 CB ASN A 52 -13.769 -7.432 2.328 1.00 0.00 C ATOM 828 CG ASN A 52 -13.857 -8.771 3.037 1.00 0.00 C ATOM 829 OD1 ASN A 52 -14.940 -9.217 3.415 1.00 0.00 O ATOM 830 ND2 ASN A 52 -12.712 -9.419 3.220 1.00 0.00 N ATOM 0 H ASN A 52 -13.603 -5.523 0.817 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.858 -7.574 1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.351 -6.692 3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.774 -7.097 2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.708 -10.324 3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.837 -9.012 2.890 1.00 0.00 H new ATOM 837 N ASP A 53 -14.300 -8.671 -0.581 1.00 0.00 N ATOM 838 CA ASP A 53 -14.697 -9.837 -1.374 1.00 0.00 C ATOM 839 C ASP A 53 -14.611 -9.581 -2.879 1.00 0.00 C ATOM 840 O ASP A 53 -14.677 -10.515 -3.677 1.00 0.00 O ATOM 841 CB ASP A 53 -16.122 -10.253 -1.006 1.00 0.00 C ATOM 842 CG ASP A 53 -16.167 -11.570 -0.256 1.00 0.00 C ATOM 843 OD1 ASP A 53 -16.241 -12.627 -0.916 1.00 0.00 O ATOM 844 OD2 ASP A 53 -16.130 -11.543 0.993 1.00 0.00 O ATOM 0 H ASP A 53 -14.881 -7.844 -0.715 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.996 -10.638 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.578 -9.474 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.719 -10.335 -1.914 1.00 0.00 H new ATOM 849 N TRP A 54 -14.506 -8.316 -3.264 1.00 0.00 N ATOM 850 CA TRP A 54 -14.464 -7.957 -4.676 1.00 0.00 C ATOM 851 C TRP A 54 -13.066 -7.639 -5.194 1.00 0.00 C ATOM 852 O TRP A 54 -12.791 -7.837 -6.376 1.00 0.00 O ATOM 853 CB TRP A 54 -15.357 -6.757 -4.925 1.00 0.00 C ATOM 854 CG TRP A 54 -16.778 -6.976 -4.510 1.00 0.00 C ATOM 855 CD1 TRP A 54 -17.831 -7.290 -5.318 1.00 0.00 C ATOM 856 CD2 TRP A 54 -17.300 -6.899 -3.178 1.00 0.00 C ATOM 857 NE1 TRP A 54 -18.978 -7.417 -4.572 1.00 0.00 N ATOM 858 CE2 TRP A 54 -18.678 -7.181 -3.255 1.00 0.00 C ATOM 859 CE3 TRP A 54 -16.738 -6.622 -1.928 1.00 0.00 C ATOM 860 CZ2 TRP A 54 -19.499 -7.193 -2.130 1.00 0.00 C ATOM 861 CZ3 TRP A 54 -17.555 -6.633 -0.814 1.00 0.00 C ATOM 862 CH2 TRP A 54 -18.922 -6.918 -0.921 1.00 0.00 C ATOM 0 H TRP A 54 -14.449 -7.525 -2.623 1.00 0.00 H new ATOM 0 HA TRP A 54 -14.813 -8.836 -5.218 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -14.957 -5.898 -4.386 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -15.331 -6.508 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -17.772 -7.420 -6.389 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -19.901 -7.649 -4.938 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -15.684 -6.403 -1.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -20.554 -7.412 -2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -17.132 -6.418 0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -19.533 -6.921 -0.030 1.00 0.00 H new ATOM 873 N THR A 55 -12.197 -7.119 -4.333 1.00 0.00 N ATOM 874 CA THR A 55 -10.840 -6.757 -4.761 1.00 0.00 C ATOM 875 C THR A 55 -9.738 -7.661 -4.199 1.00 0.00 C ATOM 876 O THR A 55 -8.675 -7.791 -4.805 1.00 0.00 O ATOM 877 CB THR A 55 -10.527 -5.329 -4.362 1.00 0.00 C ATOM 878 OG1 THR A 55 -11.047 -4.408 -5.301 1.00 0.00 O ATOM 879 CG2 THR A 55 -9.042 -5.070 -4.220 1.00 0.00 C ATOM 0 H THR A 55 -12.398 -6.939 -3.349 1.00 0.00 H new ATOM 0 HA THR A 55 -10.842 -6.881 -5.844 1.00 0.00 H new ATOM 0 HB THR A 55 -11.001 -5.189 -3.390 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.282 -3.573 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.880 -4.031 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.630 -5.727 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.546 -5.265 -5.171 1.00 0.00 H new ATOM 887 N VAL A 56 -9.962 -8.202 -3.014 1.00 0.00 N ATOM 888 CA VAL A 56 -8.949 -9.007 -2.321 1.00 0.00 C ATOM 889 C VAL A 56 -8.342 -10.143 -3.163 1.00 0.00 C ATOM 890 O VAL A 56 -7.930 -9.923 -4.295 1.00 0.00 O ATOM 891 CB VAL A 56 -9.609 -9.578 -1.058 1.00 0.00 C ATOM 892 CG1 VAL A 56 -10.241 -8.458 -0.283 1.00 0.00 C ATOM 893 CG2 VAL A 56 -10.683 -10.574 -1.398 1.00 0.00 C ATOM 0 H VAL A 56 -10.839 -8.102 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.106 -8.355 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.836 -10.077 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.712 -8.857 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.477 -7.734 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.994 -7.968 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.128 -10.957 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.452 -10.089 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.249 -11.399 -1.962 1.00 0.00 H new ATOM 903 N GLN A 57 -8.320 -11.362 -2.616 1.00 0.00 N ATOM 904 CA GLN A 57 -7.806 -12.519 -3.324 1.00 0.00 C ATOM 905 C GLN A 57 -8.965 -13.192 -4.023 1.00 0.00 C ATOM 906 O GLN A 57 -8.882 -13.550 -5.197 1.00 0.00 O ATOM 907 CB GLN A 57 -7.105 -13.498 -2.372 1.00 0.00 C ATOM 908 CG GLN A 57 -7.722 -13.573 -0.983 1.00 0.00 C ATOM 909 CD GLN A 57 -7.554 -14.938 -0.346 1.00 0.00 C ATOM 910 OE1 GLN A 57 -8.528 -15.815 -0.563 1.00 0.00 O flip ATOM 911 NE2 GLN A 57 -6.561 -15.202 0.331 1.00 0.00 N flip ATOM 0 H GLN A 57 -8.658 -11.565 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.059 -12.198 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.120 -14.493 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.059 -13.207 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.263 -12.819 -0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.783 -13.334 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.837 -14.497 0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.462 -16.126 0.752 1.00 0.00 H new ATOM 920 N ASN A 58 -10.072 -13.324 -3.289 1.00 0.00 N ATOM 921 CA ASN A 58 -11.281 -13.911 -3.844 1.00 0.00 C ATOM 922 C ASN A 58 -11.736 -13.075 -5.033 1.00 0.00 C ATOM 923 O ASN A 58 -12.539 -13.515 -5.856 1.00 0.00 O ATOM 924 CB ASN A 58 -12.384 -13.977 -2.785 1.00 0.00 C ATOM 925 CG ASN A 58 -12.528 -15.363 -2.187 1.00 0.00 C ATOM 926 OD1 ASN A 58 -12.841 -16.325 -2.888 1.00 0.00 O ATOM 927 ND2 ASN A 58 -12.301 -15.469 -0.883 1.00 0.00 N ATOM 0 H ASN A 58 -10.151 -13.032 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.071 -14.929 -4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.165 -13.263 -1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.332 -13.677 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.384 -16.376 -0.423 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.044 -14.644 -0.341 1.00 0.00 H new ATOM 934 N CYS A 59 -11.190 -11.862 -5.114 1.00 0.00 N ATOM 935 CA CYS A 59 -11.504 -10.953 -6.194 1.00 0.00 C ATOM 936 C CYS A 59 -11.026 -11.566 -7.514 1.00 0.00 C ATOM 937 O CYS A 59 -11.822 -12.074 -8.303 1.00 0.00 O ATOM 938 CB CYS A 59 -10.776 -9.626 -5.917 1.00 0.00 C ATOM 939 SG CYS A 59 -10.317 -8.684 -7.398 1.00 0.00 S ATOM 0 H CYS A 59 -10.524 -11.493 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.577 -10.775 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.414 -9.002 -5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.873 -9.836 -5.343 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.256 -7.830 -7.677 1.00 0.00 H new ATOM 945 N ASP A 60 -9.712 -11.584 -7.696 1.00 0.00 N ATOM 946 CA ASP A 60 -9.088 -12.210 -8.857 1.00 0.00 C ATOM 947 C ASP A 60 -7.593 -12.355 -8.600 1.00 0.00 C ATOM 948 O ASP A 60 -6.798 -11.580 -9.131 1.00 0.00 O ATOM 949 CB ASP A 60 -9.334 -11.376 -10.117 1.00 0.00 C ATOM 950 CG ASP A 60 -9.501 -12.235 -11.355 1.00 0.00 C ATOM 951 OD1 ASP A 60 -10.096 -13.328 -11.243 1.00 0.00 O ATOM 952 OD2 ASP A 60 -9.037 -11.815 -12.435 1.00 0.00 O ATOM 0 H ASP A 60 -9.048 -11.166 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.528 -13.195 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.227 -10.767 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.500 -10.690 -10.264 1.00 0.00 H new ATOM 957 N LEU A 61 -7.202 -13.310 -7.764 1.00 0.00 N ATOM 958 CA LEU A 61 -5.793 -13.466 -7.436 1.00 0.00 C ATOM 959 C LEU A 61 -5.265 -14.884 -7.553 1.00 0.00 C ATOM 960 O LEU A 61 -6.010 -15.861 -7.620 1.00 0.00 O ATOM 961 CB LEU A 61 -5.527 -12.939 -6.036 1.00 0.00 C ATOM 962 CG LEU A 61 -5.261 -11.442 -5.979 1.00 0.00 C ATOM 963 CD1 LEU A 61 -6.504 -10.668 -6.342 1.00 0.00 C ATOM 964 CD2 LEU A 61 -4.788 -11.038 -4.607 1.00 0.00 C ATOM 0 H LEU A 61 -7.828 -13.975 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.254 -12.885 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.384 -13.170 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.670 -13.466 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.479 -11.210 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.294 -9.599 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.815 -10.933 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.302 -10.912 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.603 -9.964 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.552 -11.288 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.866 -11.569 -4.369 1.00 0.00 H new ATOM 976 N ASP A 62 -3.941 -14.948 -7.533 1.00 0.00 N ATOM 977 CA ASP A 62 -3.203 -16.201 -7.589 1.00 0.00 C ATOM 978 C ASP A 62 -2.381 -16.347 -6.311 1.00 0.00 C ATOM 979 O ASP A 62 -2.506 -15.527 -5.401 1.00 0.00 O ATOM 980 CB ASP A 62 -2.287 -16.233 -8.815 1.00 0.00 C ATOM 981 CG ASP A 62 -2.904 -16.990 -9.975 1.00 0.00 C ATOM 982 OD1 ASP A 62 -3.644 -16.367 -10.764 1.00 0.00 O ATOM 983 OD2 ASP A 62 -2.648 -18.207 -10.093 1.00 0.00 O ATOM 0 H ASP A 62 -3.344 -14.123 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.905 -17.031 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.065 -15.212 -9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.338 -16.697 -8.545 1.00 0.00 H new ATOM 988 N GLN A 63 -1.536 -17.368 -6.236 1.00 0.00 N ATOM 989 CA GLN A 63 -0.712 -17.555 -5.044 1.00 0.00 C ATOM 990 C GLN A 63 0.240 -16.375 -4.885 1.00 0.00 C ATOM 991 O GLN A 63 0.567 -15.973 -3.768 1.00 0.00 O ATOM 992 CB GLN A 63 0.093 -18.857 -5.100 1.00 0.00 C ATOM 993 CG GLN A 63 -0.503 -19.928 -6.002 1.00 0.00 C ATOM 994 CD GLN A 63 -0.267 -21.330 -5.474 1.00 0.00 C ATOM 995 OE1 GLN A 63 0.123 -21.514 -4.322 1.00 0.00 O ATOM 996 NE2 GLN A 63 -0.505 -22.328 -6.318 1.00 0.00 N ATOM 0 H GLN A 63 -1.403 -18.066 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.383 -17.615 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.102 -18.631 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.182 -19.258 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.575 -19.757 -6.104 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.070 -19.841 -6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.828 -22.129 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.365 -23.293 -6.019 1.00 0.00 H new ATOM 1005 N GLN A 64 0.639 -15.792 -6.012 1.00 0.00 N ATOM 1006 CA GLN A 64 1.504 -14.621 -6.008 1.00 0.00 C ATOM 1007 C GLN A 64 0.824 -13.491 -6.773 1.00 0.00 C ATOM 1008 O GLN A 64 0.914 -13.425 -7.999 1.00 0.00 O ATOM 1009 CB GLN A 64 2.860 -14.949 -6.638 1.00 0.00 C ATOM 1010 CG GLN A 64 3.845 -13.793 -6.598 1.00 0.00 C ATOM 1011 CD GLN A 64 5.008 -13.983 -7.553 1.00 0.00 C ATOM 1012 OE1 GLN A 64 5.254 -13.148 -8.423 1.00 0.00 O ATOM 1013 NE2 GLN A 64 5.729 -15.087 -7.394 1.00 0.00 N ATOM 0 H GLN A 64 0.374 -16.115 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 64 1.678 -14.309 -4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.295 -15.804 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.707 -15.249 -7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.324 -12.868 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.228 -13.682 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.488 -15.752 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.523 -15.270 -8.007 1.00 0.00 H new ATOM 1022 N SER A 65 0.137 -12.611 -6.057 1.00 0.00 N ATOM 1023 CA SER A 65 -0.561 -11.500 -6.694 1.00 0.00 C ATOM 1024 C SER A 65 0.205 -10.192 -6.541 1.00 0.00 C ATOM 1025 O SER A 65 1.151 -10.101 -5.762 1.00 0.00 O ATOM 1026 CB SER A 65 -1.969 -11.354 -6.115 1.00 0.00 C ATOM 1027 OG SER A 65 -2.203 -12.302 -5.088 1.00 0.00 O ATOM 0 H SER A 65 0.048 -12.643 -5.041 1.00 0.00 H new ATOM 0 HA SER A 65 -0.632 -11.724 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.100 -10.347 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.706 -11.484 -6.908 1.00 0.00 H new ATOM 0 HG SER A 65 -2.266 -13.199 -5.479 1.00 0.00 H new ATOM 1033 N ILE A 66 -0.236 -9.170 -7.267 1.00 0.00 N ATOM 1034 CA ILE A 66 0.379 -7.853 -7.180 1.00 0.00 C ATOM 1035 C ILE A 66 -0.713 -6.801 -7.025 1.00 0.00 C ATOM 1036 O ILE A 66 -1.618 -6.718 -7.852 1.00 0.00 O ATOM 1037 CB ILE A 66 1.259 -7.540 -8.406 1.00 0.00 C ATOM 1038 CG1 ILE A 66 0.400 -7.234 -9.637 1.00 0.00 C ATOM 1039 CG2 ILE A 66 2.200 -8.702 -8.689 1.00 0.00 C ATOM 1040 CD1 ILE A 66 0.133 -5.758 -9.840 1.00 0.00 C ATOM 0 H ILE A 66 -1.016 -9.230 -7.921 1.00 0.00 H new ATOM 0 HA ILE A 66 1.035 -7.840 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 66 1.852 -6.654 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.896 -7.630 -10.523 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.552 -7.757 -9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.816 -8.468 -9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.841 -8.870 -7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.618 -9.601 -8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.481 -5.618 -10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.392 -5.360 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.079 -5.231 -9.965 1.00 0.00 H new ATOM 1052 N VAL A 67 -0.635 -6.017 -5.956 1.00 0.00 N ATOM 1053 CA VAL A 67 -1.630 -4.999 -5.674 1.00 0.00 C ATOM 1054 C VAL A 67 -1.033 -3.600 -5.714 1.00 0.00 C ATOM 1055 O VAL A 67 0.122 -3.392 -5.345 1.00 0.00 O ATOM 1056 CB VAL A 67 -2.264 -5.264 -4.293 1.00 0.00 C ATOM 1057 CG1 VAL A 67 -3.281 -4.199 -3.940 1.00 0.00 C ATOM 1058 CG2 VAL A 67 -2.906 -6.645 -4.266 1.00 0.00 C ATOM 0 H VAL A 67 0.115 -6.071 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.395 -5.052 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.472 -5.227 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.709 -4.415 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.794 -3.224 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.073 -4.190 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.350 -6.821 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.681 -6.701 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.147 -7.403 -4.462 1.00 0.00 H new ATOM 1068 N HIS A 68 -1.841 -2.642 -6.150 1.00 0.00 N ATOM 1069 CA HIS A 68 -1.405 -1.246 -6.224 1.00 0.00 C ATOM 1070 C HIS A 68 -1.956 -0.463 -5.037 1.00 0.00 C ATOM 1071 O HIS A 68 -3.148 -0.175 -4.977 1.00 0.00 O ATOM 1072 CB HIS A 68 -1.872 -0.610 -7.536 1.00 0.00 C ATOM 1073 CG HIS A 68 -0.889 -0.758 -8.657 1.00 0.00 C ATOM 1074 ND1 HIS A 68 0.145 -1.670 -8.636 1.00 0.00 N ATOM 1075 CD2 HIS A 68 -0.789 -0.105 -9.838 1.00 0.00 C ATOM 1076 CE1 HIS A 68 0.840 -1.570 -9.756 1.00 0.00 C ATOM 1077 NE2 HIS A 68 0.294 -0.628 -10.502 1.00 0.00 N ATOM 0 H HIS A 68 -2.800 -2.801 -6.458 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.316 -1.218 -6.192 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.819 -1.061 -7.832 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.063 0.450 -7.369 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.439 0.681 -10.193 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.707 -2.159 -10.016 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.623 -0.336 -11.422 1.00 0.00 H new ATOM 1086 N ILE A 69 -1.094 -0.120 -4.086 1.00 0.00 N ATOM 1087 CA ILE A 69 -1.545 0.609 -2.908 1.00 0.00 C ATOM 1088 C ILE A 69 -1.174 2.074 -2.926 1.00 0.00 C ATOM 1089 O ILE A 69 -0.065 2.456 -3.294 1.00 0.00 O ATOM 1090 CB ILE A 69 -0.963 0.033 -1.605 1.00 0.00 C ATOM 1091 CG1 ILE A 69 -1.355 -1.435 -1.433 1.00 0.00 C ATOM 1092 CG2 ILE A 69 -1.435 0.880 -0.422 1.00 0.00 C ATOM 1093 CD1 ILE A 69 -0.235 -2.398 -1.760 1.00 0.00 C ATOM 0 H ILE A 69 -0.096 -0.331 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.629 0.499 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 69 0.125 0.070 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.677 -1.599 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.210 -1.653 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.024 0.474 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.094 1.907 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.524 0.863 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.582 -3.421 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.072 -2.261 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.613 -2.207 -1.102 1.00 0.00 H new ATOM 1105 N VAL A 70 -2.098 2.881 -2.437 1.00 0.00 N ATOM 1106 CA VAL A 70 -1.864 4.287 -2.297 1.00 0.00 C ATOM 1107 C VAL A 70 -2.554 4.770 -1.034 1.00 0.00 C ATOM 1108 O VAL A 70 -3.601 5.401 -1.098 1.00 0.00 O ATOM 1109 CB VAL A 70 -2.388 5.077 -3.509 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -2.027 6.548 -3.384 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -1.842 4.492 -4.803 1.00 0.00 C ATOM 0 H VAL A 70 -3.021 2.573 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.789 4.455 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.475 4.996 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.406 7.090 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.473 6.956 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.943 6.654 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.223 5.063 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.753 4.540 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.158 3.453 -4.894 1.00 0.00 H new