USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl 146:sc= -0.439 (180deg=-4!) USER MOD Set 1.2: A 60 MET CE :methyl -137:sc= -0.0386 (180deg=-1.13) USER MOD Set 1.3: A 84 CYS SG : rot 80:sc= 0.0788 USER MOD Set 2.1: A 35 CYS SG : rot -105:sc= -0.172 USER MOD Set 2.2: A 69 SER OG : rot 103:sc= 0.807 USER MOD Set 2.3: A 71 THR OG1 : rot 140:sc= 1.19 USER MOD Set 3.1: A 16 GLN : amide:sc= -1.29 X(o=-3.9,f=-4.2) USER MOD Set 3.2: A 81 MET CE :methyl -134:sc= -2.59 (180deg=-2.56!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.705 (180deg=-1.38) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.386 K(o=0.39,f=-0.29) USER MOD Single : A 5 TYR OH : rot -97:sc= 0.0488 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.528 K(o=-0.53,f=-2.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= 0.00191 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.267 USER MOD Single : A 38 THR OG1 : rot 160:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 173:sc= 0 (180deg=-0.126) USER MOD Single : A 50 GLN : amide:sc= -0.034 K(o=-0.034,f=-0.79) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.623 USER MOD Single : A 58 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.32) USER MOD Single : A 80 MET CE :methyl 140:sc= -2.03 (180deg=-7.8!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -137:sc= 0.218 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.550 0.875 7.535 1.00 0.00 N ATOM 2 CA MET A 1 -6.519 0.060 6.825 1.00 0.00 C ATOM 3 C MET A 1 -5.693 0.961 5.903 1.00 0.00 C ATOM 4 O MET A 1 -4.480 1.095 6.076 1.00 0.00 O ATOM 5 CB MET A 1 -7.204 -1.036 5.999 1.00 0.00 C ATOM 6 CG MET A 1 -7.226 -2.342 6.798 1.00 0.00 C ATOM 7 SD MET A 1 -7.488 -3.735 5.673 1.00 0.00 S ATOM 8 CE MET A 1 -5.761 -3.955 5.176 1.00 0.00 C ATOM 0 H1 MET A 1 -8.109 0.260 8.160 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.081 1.610 8.102 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.179 1.323 6.838 1.00 0.00 H new ATOM 0 HA MET A 1 -5.860 -0.403 7.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.221 -0.734 5.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.673 -1.182 5.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.286 -2.467 7.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.019 -2.310 7.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.646 -4.916 4.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.473 -3.154 4.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.122 -3.928 6.059 1.00 0.00 H new ATOM 20 N ASN A 2 -6.364 1.575 4.921 1.00 0.00 N ATOM 21 CA ASN A 2 -5.680 2.461 3.971 1.00 0.00 C ATOM 22 C ASN A 2 -6.696 3.321 3.209 1.00 0.00 C ATOM 23 O ASN A 2 -6.885 3.169 1.999 1.00 0.00 O ATOM 24 CB ASN A 2 -4.837 1.649 2.971 1.00 0.00 C ATOM 25 CG ASN A 2 -5.521 0.317 2.651 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.082 -0.738 3.111 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.577 0.302 1.882 1.00 0.00 N ATOM 0 H ASN A 2 -7.367 1.477 4.764 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.017 3.112 4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.697 2.222 2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.846 1.465 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.036 -0.582 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.942 1.174 1.500 1.00 0.00 H new ATOM 34 N ASP A 3 -7.350 4.227 3.938 1.00 0.00 N ATOM 35 CA ASP A 3 -8.351 5.112 3.336 1.00 0.00 C ATOM 36 C ASP A 3 -7.719 6.419 2.848 1.00 0.00 C ATOM 37 O ASP A 3 -8.211 7.036 1.900 1.00 0.00 O ATOM 38 CB ASP A 3 -9.458 5.437 4.343 1.00 0.00 C ATOM 39 CG ASP A 3 -10.428 4.261 4.432 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.192 3.384 5.247 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.388 4.253 3.679 1.00 0.00 O ATOM 0 H ASP A 3 -7.207 4.367 4.938 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.776 4.586 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.025 5.640 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.990 6.338 4.037 1.00 0.00 H new ATOM 46 N ILE A 4 -6.624 6.834 3.498 1.00 0.00 N ATOM 47 CA ILE A 4 -5.935 8.073 3.109 1.00 0.00 C ATOM 48 C ILE A 4 -5.405 7.973 1.673 1.00 0.00 C ATOM 49 O ILE A 4 -5.383 8.963 0.941 1.00 0.00 O ATOM 50 CB ILE A 4 -4.776 8.396 4.069 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.759 7.246 4.086 1.00 0.00 C ATOM 52 CG2 ILE A 4 -5.327 8.606 5.481 1.00 0.00 C ATOM 53 CD1 ILE A 4 -2.567 7.608 3.197 1.00 0.00 C ATOM 0 H ILE A 4 -6.201 6.340 4.283 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.664 8.881 3.164 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.278 9.303 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.423 7.059 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.226 6.328 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.507 8.835 6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.036 9.434 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.832 7.699 5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.844 6.792 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.911 7.774 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.095 8.516 3.573 1.00 0.00 H new ATOM 65 N TYR A 5 -5.001 6.761 1.276 1.00 0.00 N ATOM 66 CA TYR A 5 -4.499 6.534 -0.085 1.00 0.00 C ATOM 67 C TYR A 5 -5.666 6.547 -1.074 1.00 0.00 C ATOM 68 O TYR A 5 -5.530 7.004 -2.210 1.00 0.00 O ATOM 69 CB TYR A 5 -3.781 5.183 -0.191 1.00 0.00 C ATOM 70 CG TYR A 5 -2.611 5.137 0.763 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.410 5.785 0.439 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.724 4.438 1.971 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.328 5.733 1.323 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.642 4.388 2.855 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.443 5.033 2.532 1.00 0.00 C ATOM 76 OH TYR A 5 0.624 4.980 3.405 1.00 0.00 O ATOM 0 H TYR A 5 -5.011 5.931 1.869 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.793 7.330 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.476 4.375 0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.433 5.027 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.321 6.324 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.648 3.937 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.597 6.232 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.732 3.851 3.788 1.00 0.00 H new ATOM 0 HH TYR A 5 1.114 4.142 3.272 1.00 0.00 H new ATOM 86 N LYS A 6 -6.820 6.045 -0.614 1.00 0.00 N ATOM 87 CA LYS A 6 -8.027 6.002 -1.446 1.00 0.00 C ATOM 88 C LYS A 6 -8.509 7.416 -1.790 1.00 0.00 C ATOM 89 O LYS A 6 -9.180 7.618 -2.804 1.00 0.00 O ATOM 90 CB LYS A 6 -9.151 5.258 -0.717 1.00 0.00 C ATOM 91 CG LYS A 6 -10.138 4.684 -1.738 1.00 0.00 C ATOM 92 CD LYS A 6 -11.338 4.075 -1.010 1.00 0.00 C ATOM 93 CE LYS A 6 -10.918 2.773 -0.320 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.085 2.189 0.400 1.00 0.00 N ATOM 0 H LYS A 6 -6.942 5.665 0.325 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.774 5.477 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.734 4.455 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.668 5.936 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.472 5.469 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.646 3.925 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.725 4.780 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.144 3.879 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.541 2.064 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.106 2.967 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.798 1.306 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.425 2.864 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.847 1.989 -0.279 1.00 0.00 H new ATOM 108 N ALA A 7 -8.155 8.393 -0.939 1.00 0.00 N ATOM 109 CA ALA A 7 -8.549 9.789 -1.163 1.00 0.00 C ATOM 110 C ALA A 7 -8.132 10.259 -2.561 1.00 0.00 C ATOM 111 O ALA A 7 -8.827 11.057 -3.189 1.00 0.00 O ATOM 112 CB ALA A 7 -7.900 10.703 -0.118 1.00 0.00 C ATOM 0 H ALA A 7 -7.601 8.241 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.634 9.843 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.203 11.734 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.220 10.400 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.815 10.625 -0.190 1.00 0.00 H new ATOM 118 N ALA A 8 -6.993 9.750 -3.041 1.00 0.00 N ATOM 119 CA ALA A 8 -6.493 10.114 -4.370 1.00 0.00 C ATOM 120 C ALA A 8 -7.245 9.348 -5.460 1.00 0.00 C ATOM 121 O ALA A 8 -7.596 9.909 -6.498 1.00 0.00 O ATOM 122 CB ALA A 8 -5.002 9.795 -4.485 1.00 0.00 C ATOM 0 H ALA A 8 -6.404 9.090 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.652 11.184 -4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.646 10.071 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.450 10.358 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.845 8.728 -4.327 1.00 0.00 H new ATOM 128 N VAL A 9 -7.485 8.056 -5.206 1.00 0.00 N ATOM 129 CA VAL A 9 -8.197 7.202 -6.168 1.00 0.00 C ATOM 130 C VAL A 9 -9.635 7.696 -6.391 1.00 0.00 C ATOM 131 O VAL A 9 -10.202 7.517 -7.471 1.00 0.00 O ATOM 132 CB VAL A 9 -8.236 5.749 -5.668 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.021 4.879 -6.654 1.00 0.00 C ATOM 134 CG2 VAL A 9 -6.807 5.209 -5.547 1.00 0.00 C ATOM 0 H VAL A 9 -7.200 7.581 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.657 7.251 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.724 5.722 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.044 3.851 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.040 5.256 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.538 4.910 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.836 4.179 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.321 5.243 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.246 5.820 -4.840 1.00 0.00 H new ATOM 144 N GLU A 10 -10.220 8.313 -5.364 1.00 0.00 N ATOM 145 CA GLU A 10 -11.587 8.824 -5.466 1.00 0.00 C ATOM 146 C GLU A 10 -11.631 10.192 -6.166 1.00 0.00 C ATOM 147 O GLU A 10 -12.700 10.641 -6.585 1.00 0.00 O ATOM 148 CB GLU A 10 -12.213 8.946 -4.071 1.00 0.00 C ATOM 149 CG GLU A 10 -11.488 10.024 -3.257 1.00 0.00 C ATOM 150 CD GLU A 10 -12.381 10.495 -2.113 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.157 11.410 -2.333 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.272 9.936 -1.034 1.00 0.00 O ATOM 0 H GLU A 10 -9.774 8.470 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.157 8.114 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.270 9.197 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.155 7.989 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.553 9.627 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.230 10.866 -3.899 1.00 0.00 H new ATOM 159 N GLN A 11 -10.469 10.856 -6.282 1.00 0.00 N ATOM 160 CA GLN A 11 -10.417 12.175 -6.924 1.00 0.00 C ATOM 161 C GLN A 11 -9.432 12.212 -8.108 1.00 0.00 C ATOM 162 O GLN A 11 -9.025 13.291 -8.548 1.00 0.00 O ATOM 163 CB GLN A 11 -10.020 13.250 -5.899 1.00 0.00 C ATOM 164 CG GLN A 11 -8.570 13.035 -5.445 1.00 0.00 C ATOM 165 CD GLN A 11 -8.319 13.759 -4.120 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.250 14.249 -3.478 1.00 0.00 O ATOM 167 NE2 GLN A 11 -7.098 13.853 -3.665 1.00 0.00 N ATOM 0 H GLN A 11 -9.571 10.508 -5.946 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.415 12.378 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.128 14.241 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.689 13.208 -5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.372 11.970 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.884 13.406 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.324 13.449 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.918 14.330 -2.782 1.00 0.00 H new ATOM 176 N LEU A 12 -9.058 11.035 -8.629 1.00 0.00 N ATOM 177 CA LEU A 12 -8.129 10.977 -9.767 1.00 0.00 C ATOM 178 C LEU A 12 -8.864 11.262 -11.080 1.00 0.00 C ATOM 179 O LEU A 12 -10.090 11.399 -11.106 1.00 0.00 O ATOM 180 CB LEU A 12 -7.444 9.600 -9.864 1.00 0.00 C ATOM 181 CG LEU A 12 -8.321 8.385 -9.532 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.603 8.410 -10.371 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.549 7.098 -9.831 1.00 0.00 C ATOM 0 H LEU A 12 -9.376 10.127 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.368 11.739 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.059 9.479 -10.877 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.585 9.596 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.585 8.421 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.216 7.543 -10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.161 9.321 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.345 8.384 -11.430 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.173 6.236 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.280 7.072 -10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.644 7.068 -9.225 1.00 0.00 H new ATOM 195 N THR A 13 -8.098 11.347 -12.172 1.00 0.00 N ATOM 196 CA THR A 13 -8.681 11.613 -13.491 1.00 0.00 C ATOM 197 C THR A 13 -8.828 10.316 -14.283 1.00 0.00 C ATOM 198 O THR A 13 -8.270 9.278 -13.919 1.00 0.00 O ATOM 199 CB THR A 13 -7.806 12.579 -14.305 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.481 12.587 -13.791 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.391 13.989 -14.241 1.00 0.00 C ATOM 0 H THR A 13 -7.084 11.237 -12.170 1.00 0.00 H new ATOM 0 HA THR A 13 -9.659 12.065 -13.324 1.00 0.00 H new ATOM 0 HB THR A 13 -7.784 12.246 -15.343 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.930 13.204 -14.317 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.766 14.669 -14.820 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.400 13.983 -14.653 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.425 14.322 -13.204 1.00 0.00 H new ATOM 209 N ASP A 14 -9.569 10.402 -15.387 1.00 0.00 N ATOM 210 CA ASP A 14 -9.775 9.244 -16.255 1.00 0.00 C ATOM 211 C ASP A 14 -8.477 8.904 -16.990 1.00 0.00 C ATOM 212 O ASP A 14 -8.192 7.736 -17.262 1.00 0.00 O ATOM 213 CB ASP A 14 -10.877 9.524 -17.283 1.00 0.00 C ATOM 214 CG ASP A 14 -11.399 8.206 -17.849 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.223 7.586 -17.195 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.968 7.834 -18.928 1.00 0.00 O ATOM 0 H ASP A 14 -10.033 11.255 -15.700 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.077 8.402 -15.632 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.691 10.078 -16.816 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.487 10.148 -18.088 1.00 0.00 H new ATOM 221 N GLU A 15 -7.684 9.942 -17.294 1.00 0.00 N ATOM 222 CA GLU A 15 -6.406 9.747 -17.984 1.00 0.00 C ATOM 223 C GLU A 15 -5.390 9.084 -17.052 1.00 0.00 C ATOM 224 O GLU A 15 -4.543 8.307 -17.496 1.00 0.00 O ATOM 225 CB GLU A 15 -5.842 11.087 -18.469 1.00 0.00 C ATOM 226 CG GLU A 15 -6.343 11.372 -19.889 1.00 0.00 C ATOM 227 CD GLU A 15 -5.482 10.618 -20.899 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.773 9.458 -21.149 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.545 11.210 -21.409 1.00 0.00 O ATOM 0 H GLU A 15 -7.904 10.914 -17.075 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.586 9.101 -18.843 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.150 11.887 -17.796 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.752 11.061 -18.455 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.385 11.067 -19.985 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.304 12.442 -20.091 1.00 0.00 H new ATOM 236 N GLN A 16 -5.498 9.388 -15.753 1.00 0.00 N ATOM 237 CA GLN A 16 -4.602 8.808 -14.755 1.00 0.00 C ATOM 238 C GLN A 16 -4.831 7.299 -14.671 1.00 0.00 C ATOM 239 O GLN A 16 -3.882 6.518 -14.585 1.00 0.00 O ATOM 240 CB GLN A 16 -4.855 9.437 -13.381 1.00 0.00 C ATOM 241 CG GLN A 16 -3.628 9.244 -12.487 1.00 0.00 C ATOM 242 CD GLN A 16 -4.069 8.717 -11.127 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.886 9.381 -10.106 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.653 7.553 -11.051 1.00 0.00 N ATOM 0 H GLN A 16 -6.194 10.029 -15.373 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.573 9.007 -15.053 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.072 10.499 -13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.729 8.980 -12.917 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.932 8.545 -12.952 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.099 10.189 -12.369 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.805 7.002 -11.896 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.958 7.193 -10.146 1.00 0.00 H new ATOM 253 N LYS A 17 -6.107 6.903 -14.716 1.00 0.00 N ATOM 254 CA LYS A 17 -6.467 5.486 -14.666 1.00 0.00 C ATOM 255 C LYS A 17 -5.993 4.783 -15.937 1.00 0.00 C ATOM 256 O LYS A 17 -5.485 3.664 -15.884 1.00 0.00 O ATOM 257 CB LYS A 17 -7.986 5.313 -14.539 1.00 0.00 C ATOM 258 CG LYS A 17 -8.474 5.933 -13.227 1.00 0.00 C ATOM 259 CD LYS A 17 -9.956 6.298 -13.353 1.00 0.00 C ATOM 260 CE LYS A 17 -10.732 5.716 -12.165 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.977 4.261 -12.385 1.00 0.00 N ATOM 0 H LYS A 17 -6.901 7.540 -14.786 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.984 5.045 -13.794 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.486 5.787 -15.383 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.244 4.254 -14.569 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.330 5.231 -12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.888 6.822 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.073 7.381 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.358 5.910 -14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.169 5.864 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.680 6.240 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.503 3.871 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.532 4.130 -13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.067 3.766 -12.477 1.00 0.00 H new ATOM 275 N ASN A 18 -6.157 5.461 -17.082 1.00 0.00 N ATOM 276 CA ASN A 18 -5.738 4.898 -18.372 1.00 0.00 C ATOM 277 C ASN A 18 -4.228 4.653 -18.402 1.00 0.00 C ATOM 278 O ASN A 18 -3.761 3.696 -19.022 1.00 0.00 O ATOM 279 CB ASN A 18 -6.107 5.844 -19.522 1.00 0.00 C ATOM 280 CG ASN A 18 -7.571 5.648 -19.905 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.006 4.527 -20.174 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.367 6.682 -19.951 1.00 0.00 N ATOM 0 H ASN A 18 -6.573 6.391 -17.141 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.259 3.949 -18.495 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.935 6.878 -19.223 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.468 5.651 -20.383 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.346 6.561 -20.209 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.010 7.611 -19.729 1.00 0.00 H new ATOM 289 N GLU A 19 -3.470 5.527 -17.726 1.00 0.00 N ATOM 290 CA GLU A 19 -2.010 5.397 -17.677 1.00 0.00 C ATOM 291 C GLU A 19 -1.610 4.009 -17.170 1.00 0.00 C ATOM 292 O GLU A 19 -0.808 3.314 -17.796 1.00 0.00 O ATOM 293 CB GLU A 19 -1.408 6.460 -16.749 1.00 0.00 C ATOM 294 CG GLU A 19 0.112 6.503 -16.932 1.00 0.00 C ATOM 295 CD GLU A 19 0.468 7.473 -18.055 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.589 8.655 -17.777 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.614 7.018 -19.179 1.00 0.00 O ATOM 0 H GLU A 19 -3.841 6.325 -17.210 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.627 5.537 -18.688 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.839 7.436 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.653 6.232 -15.712 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.591 6.815 -16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.488 5.507 -17.166 1.00 0.00 H new ATOM 304 N PHE A 20 -2.182 3.621 -16.029 1.00 0.00 N ATOM 305 CA PHE A 20 -1.886 2.315 -15.435 1.00 0.00 C ATOM 306 C PHE A 20 -2.676 1.204 -16.126 1.00 0.00 C ATOM 307 O PHE A 20 -2.140 0.133 -16.397 1.00 0.00 O ATOM 308 CB PHE A 20 -2.243 2.309 -13.947 1.00 0.00 C ATOM 309 CG PHE A 20 -1.108 2.894 -13.140 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.052 4.273 -12.911 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.117 2.057 -12.614 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.007 4.815 -12.156 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.928 2.596 -11.859 1.00 0.00 C ATOM 314 CZ PHE A 20 0.984 3.976 -11.628 1.00 0.00 C ATOM 0 H PHE A 20 -2.847 4.186 -15.501 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.819 2.135 -15.564 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.153 2.886 -13.781 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.447 1.290 -13.618 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.816 4.919 -13.317 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.160 0.993 -12.792 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.036 5.880 -11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.692 1.949 -11.454 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.790 4.394 -11.043 1.00 0.00 H new ATOM 324 N LYS A 21 -3.962 1.469 -16.392 1.00 0.00 N ATOM 325 CA LYS A 21 -4.833 0.478 -17.037 1.00 0.00 C ATOM 326 C LYS A 21 -4.226 -0.039 -18.344 1.00 0.00 C ATOM 327 O LYS A 21 -4.357 -1.218 -18.663 1.00 0.00 O ATOM 328 CB LYS A 21 -6.217 1.075 -17.319 1.00 0.00 C ATOM 329 CG LYS A 21 -7.213 -0.045 -17.645 1.00 0.00 C ATOM 330 CD LYS A 21 -7.403 -0.944 -16.418 1.00 0.00 C ATOM 331 CE LYS A 21 -8.655 -1.806 -16.599 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.942 -2.542 -15.334 1.00 0.00 N ATOM 0 H LYS A 21 -4.419 2.354 -16.173 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.933 -0.360 -16.347 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.562 1.640 -16.453 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.158 1.775 -18.153 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.170 0.383 -17.946 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.849 -0.635 -18.486 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.528 -1.580 -16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.496 -0.334 -15.519 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.505 -1.179 -16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.508 -2.511 -17.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.970 -2.595 -15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.551 -3.504 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.505 -2.041 -14.534 1.00 0.00 H new ATOM 346 N ALA A 22 -3.553 0.849 -19.089 1.00 0.00 N ATOM 347 CA ALA A 22 -2.921 0.454 -20.355 1.00 0.00 C ATOM 348 C ALA A 22 -1.954 -0.707 -20.125 1.00 0.00 C ATOM 349 O ALA A 22 -1.994 -1.718 -20.828 1.00 0.00 O ATOM 350 CB ALA A 22 -2.150 1.628 -20.963 1.00 0.00 C ATOM 0 H ALA A 22 -3.433 1.831 -18.842 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.709 0.146 -21.042 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.689 1.315 -21.900 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.836 2.454 -21.154 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.375 1.953 -20.269 1.00 0.00 H new ATOM 356 N ALA A 23 -1.102 -0.554 -19.112 1.00 0.00 N ATOM 357 CA ALA A 23 -0.140 -1.595 -18.756 1.00 0.00 C ATOM 358 C ALA A 23 -0.862 -2.749 -18.060 1.00 0.00 C ATOM 359 O ALA A 23 -0.452 -3.905 -18.151 1.00 0.00 O ATOM 360 CB ALA A 23 0.921 -1.036 -17.807 1.00 0.00 C ATOM 0 H ALA A 23 -1.059 0.279 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 23 0.339 -1.949 -19.669 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.631 -1.823 -17.551 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.449 -0.216 -18.294 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.441 -0.670 -16.899 1.00 0.00 H new ATOM 366 N PHE A 24 -1.944 -2.412 -17.359 1.00 0.00 N ATOM 367 CA PHE A 24 -2.730 -3.405 -16.636 1.00 0.00 C ATOM 368 C PHE A 24 -3.387 -4.412 -17.587 1.00 0.00 C ATOM 369 O PHE A 24 -3.411 -5.606 -17.298 1.00 0.00 O ATOM 370 CB PHE A 24 -3.827 -2.717 -15.815 1.00 0.00 C ATOM 371 CG PHE A 24 -4.320 -3.649 -14.733 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.243 -4.656 -15.039 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.853 -3.505 -13.422 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.697 -5.516 -14.036 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.307 -4.365 -12.420 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.230 -5.370 -12.726 1.00 0.00 C ATOM 0 H PHE A 24 -2.295 -1.458 -17.278 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.045 -3.940 -15.979 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.439 -1.801 -15.369 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.654 -2.430 -16.465 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.604 -4.768 -16.051 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.141 -2.728 -13.185 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.408 -6.293 -14.272 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.945 -4.254 -11.408 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.582 -6.034 -11.950 1.00 0.00 H new ATOM 386 N ASP A 25 -3.936 -3.924 -18.710 1.00 0.00 N ATOM 387 CA ASP A 25 -4.616 -4.820 -19.658 1.00 0.00 C ATOM 388 C ASP A 25 -3.633 -5.703 -20.440 1.00 0.00 C ATOM 389 O ASP A 25 -3.989 -6.806 -20.858 1.00 0.00 O ATOM 390 CB ASP A 25 -5.507 -4.037 -20.639 1.00 0.00 C ATOM 391 CG ASP A 25 -4.690 -3.067 -21.495 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.968 -3.527 -22.365 1.00 0.00 O ATOM 393 OD2 ASP A 25 -4.818 -1.875 -21.282 1.00 0.00 O ATOM 0 H ASP A 25 -3.924 -2.940 -18.980 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.246 -5.473 -19.054 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.037 -4.736 -21.286 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.262 -3.483 -20.082 1.00 0.00 H new ATOM 398 N ILE A 26 -2.405 -5.218 -20.639 1.00 0.00 N ATOM 399 CA ILE A 26 -1.402 -5.998 -21.380 1.00 0.00 C ATOM 400 C ILE A 26 -0.787 -7.083 -20.492 1.00 0.00 C ATOM 401 O ILE A 26 -0.478 -8.180 -20.964 1.00 0.00 O ATOM 402 CB ILE A 26 -0.283 -5.100 -21.933 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.346 -4.280 -20.797 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.864 -4.152 -22.985 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.551 -3.494 -21.318 1.00 0.00 C ATOM 0 H ILE A 26 -2.082 -4.309 -20.307 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.919 -6.467 -22.217 1.00 0.00 H new ATOM 0 HB ILE A 26 0.485 -5.727 -22.387 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.393 -3.595 -20.381 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.656 -4.943 -19.989 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.072 -3.515 -23.378 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.299 -4.733 -23.798 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.636 -3.532 -22.529 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.988 -2.917 -20.504 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.295 -4.187 -21.712 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.229 -2.818 -22.110 1.00 0.00 H new ATOM 417 N PHE A 27 -0.609 -6.768 -19.206 1.00 0.00 N ATOM 418 CA PHE A 27 -0.022 -7.728 -18.264 1.00 0.00 C ATOM 419 C PHE A 27 -1.042 -8.793 -17.849 1.00 0.00 C ATOM 420 O PHE A 27 -0.700 -9.971 -17.733 1.00 0.00 O ATOM 421 CB PHE A 27 0.513 -7.010 -17.016 1.00 0.00 C ATOM 422 CG PHE A 27 1.649 -6.086 -17.410 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.562 -6.473 -18.404 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.784 -4.838 -16.791 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.599 -5.615 -18.777 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.826 -3.981 -17.165 1.00 0.00 C ATOM 427 CZ PHE A 27 3.731 -4.369 -18.158 1.00 0.00 C ATOM 0 H PHE A 27 -0.859 -5.868 -18.796 1.00 0.00 H new ATOM 0 HA PHE A 27 0.806 -8.220 -18.774 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.286 -6.440 -16.542 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.861 -7.740 -16.285 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.462 -7.437 -18.881 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.085 -4.536 -16.025 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.299 -5.914 -19.543 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.931 -3.019 -16.686 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.533 -3.705 -18.447 1.00 0.00 H new ATOM 437 N ILE A 28 -2.298 -8.377 -17.640 1.00 0.00 N ATOM 438 CA ILE A 28 -3.352 -9.328 -17.254 1.00 0.00 C ATOM 439 C ILE A 28 -4.091 -9.872 -18.491 1.00 0.00 C ATOM 440 O ILE A 28 -5.125 -10.528 -18.361 1.00 0.00 O ATOM 441 CB ILE A 28 -4.378 -8.678 -16.304 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.248 -7.672 -17.073 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.653 -7.959 -15.162 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.594 -8.313 -17.417 1.00 0.00 C ATOM 0 H ILE A 28 -2.607 -7.409 -17.729 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.858 -10.151 -16.737 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.015 -9.460 -15.891 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.404 -6.776 -16.471 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.740 -7.359 -17.985 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.386 -7.503 -14.496 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.052 -8.677 -14.603 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.005 -7.185 -15.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.209 -7.597 -17.962 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.429 -9.195 -18.035 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.104 -8.604 -16.499 1.00 0.00 H new ATOM 456 N GLN A 29 -3.549 -9.596 -19.688 1.00 0.00 N ATOM 457 CA GLN A 29 -4.160 -10.060 -20.942 1.00 0.00 C ATOM 458 C GLN A 29 -4.529 -11.548 -20.868 1.00 0.00 C ATOM 459 O GLN A 29 -5.590 -11.959 -21.344 1.00 0.00 O ATOM 460 CB GLN A 29 -3.186 -9.845 -22.107 1.00 0.00 C ATOM 461 CG GLN A 29 -3.805 -10.369 -23.405 1.00 0.00 C ATOM 462 CD GLN A 29 -2.954 -9.923 -24.592 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.290 -10.741 -25.228 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.933 -8.661 -24.931 1.00 0.00 N ATOM 0 H GLN A 29 -2.693 -9.056 -19.813 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.071 -9.483 -21.101 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.953 -8.785 -22.207 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.247 -10.361 -21.907 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.868 -11.457 -23.377 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.823 -9.994 -23.512 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.483 -7.982 -24.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.367 -8.355 -25.722 1.00 0.00 H new ATOM 473 N ASP A 30 -3.640 -12.339 -20.267 1.00 0.00 N ATOM 474 CA ASP A 30 -3.870 -13.784 -20.130 1.00 0.00 C ATOM 475 C ASP A 30 -4.163 -14.167 -18.670 1.00 0.00 C ATOM 476 O ASP A 30 -3.925 -15.305 -18.256 1.00 0.00 O ATOM 477 CB ASP A 30 -2.644 -14.566 -20.633 1.00 0.00 C ATOM 478 CG ASP A 30 -1.388 -14.128 -19.875 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.786 -13.145 -20.280 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.045 -14.783 -18.904 1.00 0.00 O ATOM 0 H ASP A 30 -2.760 -12.011 -19.869 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.740 -14.042 -20.734 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.805 -15.635 -20.497 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.510 -14.397 -21.701 1.00 0.00 H new ATOM 485 N ALA A 31 -4.691 -13.209 -17.901 1.00 0.00 N ATOM 486 CA ALA A 31 -5.022 -13.451 -16.497 1.00 0.00 C ATOM 487 C ALA A 31 -6.515 -13.720 -16.337 1.00 0.00 C ATOM 488 O ALA A 31 -7.338 -13.231 -17.115 1.00 0.00 O ATOM 489 CB ALA A 31 -4.645 -12.241 -15.639 1.00 0.00 C ATOM 0 H ALA A 31 -4.897 -12.265 -18.227 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.456 -14.323 -16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.899 -12.440 -14.598 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.574 -12.055 -15.722 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.193 -11.365 -15.985 1.00 0.00 H new ATOM 495 N GLU A 32 -6.851 -14.499 -15.311 1.00 0.00 N ATOM 496 CA GLU A 32 -8.249 -14.833 -15.033 1.00 0.00 C ATOM 497 C GLU A 32 -8.611 -14.434 -13.598 1.00 0.00 C ATOM 498 O GLU A 32 -9.256 -15.190 -12.867 1.00 0.00 O ATOM 499 CB GLU A 32 -8.491 -16.336 -15.224 1.00 0.00 C ATOM 500 CG GLU A 32 -8.265 -16.710 -16.693 1.00 0.00 C ATOM 501 CD GLU A 32 -8.815 -18.109 -16.956 1.00 0.00 C ATOM 502 OE1 GLU A 32 -9.979 -18.211 -17.306 1.00 0.00 O ATOM 503 OE2 GLU A 32 -8.063 -19.058 -16.806 1.00 0.00 O ATOM 0 H GLU A 32 -6.180 -14.909 -14.661 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.879 -14.282 -15.731 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.818 -16.907 -14.585 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.508 -16.592 -14.925 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.758 -15.987 -17.343 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.201 -16.677 -16.928 1.00 0.00 H new ATOM 510 N ASP A 33 -8.179 -13.231 -13.205 1.00 0.00 N ATOM 511 CA ASP A 33 -8.451 -12.728 -11.855 1.00 0.00 C ATOM 512 C ASP A 33 -8.706 -11.220 -11.866 1.00 0.00 C ATOM 513 O ASP A 33 -9.669 -10.740 -11.266 1.00 0.00 O ATOM 514 CB ASP A 33 -7.267 -13.026 -10.929 1.00 0.00 C ATOM 515 CG ASP A 33 -7.744 -13.043 -9.478 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.133 -14.103 -9.016 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.712 -11.996 -8.851 1.00 0.00 O ATOM 0 H ASP A 33 -7.645 -12.594 -13.796 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.344 -13.234 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.823 -13.987 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.492 -12.271 -11.059 1.00 0.00 H new ATOM 522 N GLY A 34 -7.824 -10.481 -12.542 1.00 0.00 N ATOM 523 CA GLY A 34 -7.947 -9.024 -12.617 1.00 0.00 C ATOM 524 C GLY A 34 -6.852 -8.356 -11.788 1.00 0.00 C ATOM 525 O GLY A 34 -7.111 -7.410 -11.042 1.00 0.00 O ATOM 0 H GLY A 34 -7.022 -10.864 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.876 -8.699 -13.655 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.927 -8.716 -12.253 1.00 0.00 H new ATOM 529 N CYS A 35 -5.626 -8.873 -11.924 1.00 0.00 N ATOM 530 CA CYS A 35 -4.480 -8.338 -11.186 1.00 0.00 C ATOM 531 C CYS A 35 -3.170 -8.744 -11.863 1.00 0.00 C ATOM 532 O CYS A 35 -3.048 -9.848 -12.398 1.00 0.00 O ATOM 533 CB CYS A 35 -4.482 -8.859 -9.745 1.00 0.00 C ATOM 534 SG CYS A 35 -4.672 -10.661 -9.742 1.00 0.00 S ATOM 0 H CYS A 35 -5.404 -9.658 -12.536 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.561 -7.251 -11.179 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.553 -8.582 -9.247 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.294 -8.398 -9.183 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.881 -10.969 -9.378 1.00 0.00 H new ATOM 540 N ILE A 36 -2.185 -7.842 -11.822 1.00 0.00 N ATOM 541 CA ILE A 36 -0.876 -8.120 -12.423 1.00 0.00 C ATOM 542 C ILE A 36 0.025 -8.796 -11.390 1.00 0.00 C ATOM 543 O ILE A 36 -0.376 -8.990 -10.244 1.00 0.00 O ATOM 544 CB ILE A 36 -0.203 -6.829 -12.926 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.144 -5.917 -11.740 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.145 -6.087 -13.878 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.635 -6.048 -11.411 1.00 0.00 C ATOM 0 H ILE A 36 -2.266 -6.924 -11.385 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.027 -8.779 -13.278 1.00 0.00 H new ATOM 0 HB ILE A 36 0.712 -7.095 -13.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.096 -4.882 -11.982 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.456 -6.189 -10.871 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.663 -5.175 -14.230 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.379 -6.726 -14.730 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.065 -5.831 -13.353 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.880 -5.400 -10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.861 -7.082 -11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.226 -5.755 -12.279 1.00 0.00 H new ATOM 559 N SER A 37 1.243 -9.152 -11.797 1.00 0.00 N ATOM 560 CA SER A 37 2.172 -9.802 -10.877 1.00 0.00 C ATOM 561 C SER A 37 3.052 -8.762 -10.187 1.00 0.00 C ATOM 562 O SER A 37 3.792 -8.029 -10.841 1.00 0.00 O ATOM 563 CB SER A 37 3.061 -10.804 -11.621 1.00 0.00 C ATOM 564 OG SER A 37 3.232 -11.964 -10.819 1.00 0.00 O ATOM 0 H SER A 37 1.604 -9.005 -12.740 1.00 0.00 H new ATOM 0 HA SER A 37 1.585 -10.335 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.608 -11.071 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.029 -10.355 -11.842 1.00 0.00 H new ATOM 0 HG SER A 37 3.799 -12.608 -11.292 1.00 0.00 H new ATOM 570 N THR A 38 2.968 -8.712 -8.855 1.00 0.00 N ATOM 571 CA THR A 38 3.778 -7.763 -8.075 1.00 0.00 C ATOM 572 C THR A 38 5.256 -7.905 -8.448 1.00 0.00 C ATOM 573 O THR A 38 5.991 -6.922 -8.508 1.00 0.00 O ATOM 574 CB THR A 38 3.621 -8.009 -6.570 1.00 0.00 C ATOM 575 OG1 THR A 38 3.976 -9.352 -6.264 1.00 0.00 O ATOM 576 CG2 THR A 38 2.171 -7.759 -6.158 1.00 0.00 C ATOM 0 H THR A 38 2.357 -9.308 -8.297 1.00 0.00 H new ATOM 0 HA THR A 38 3.428 -6.757 -8.308 1.00 0.00 H new ATOM 0 HB THR A 38 4.276 -7.329 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.187 -9.425 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.061 -7.934 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.900 -6.728 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.515 -8.436 -6.706 1.00 0.00 H new ATOM 584 N LYS A 39 5.668 -9.150 -8.711 1.00 0.00 N ATOM 585 CA LYS A 39 7.054 -9.431 -9.101 1.00 0.00 C ATOM 586 C LYS A 39 7.375 -8.804 -10.465 1.00 0.00 C ATOM 587 O LYS A 39 8.515 -8.411 -10.723 1.00 0.00 O ATOM 588 CB LYS A 39 7.298 -10.946 -9.179 1.00 0.00 C ATOM 589 CG LYS A 39 6.248 -11.598 -10.088 1.00 0.00 C ATOM 590 CD LYS A 39 6.636 -13.050 -10.364 1.00 0.00 C ATOM 591 CE LYS A 39 7.499 -13.119 -11.630 1.00 0.00 C ATOM 592 NZ LYS A 39 6.992 -14.197 -12.526 1.00 0.00 N ATOM 0 H LYS A 39 5.067 -9.973 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 39 7.704 -8.996 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.298 -11.143 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.250 -11.383 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.267 -11.557 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.172 -11.047 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.184 -13.458 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.741 -13.659 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.477 -12.161 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.538 -13.313 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.579 -14.241 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.035 -15.110 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.007 -13.993 -12.791 1.00 0.00 H new ATOM 606 N GLU A 40 6.355 -8.715 -11.332 1.00 0.00 N ATOM 607 CA GLU A 40 6.532 -8.135 -12.668 1.00 0.00 C ATOM 608 C GLU A 40 6.351 -6.605 -12.658 1.00 0.00 C ATOM 609 O GLU A 40 6.212 -5.987 -13.715 1.00 0.00 O ATOM 610 CB GLU A 40 5.541 -8.773 -13.664 1.00 0.00 C ATOM 611 CG GLU A 40 4.170 -8.080 -13.607 1.00 0.00 C ATOM 612 CD GLU A 40 3.699 -7.764 -15.022 1.00 0.00 C ATOM 613 OE1 GLU A 40 4.028 -6.696 -15.510 1.00 0.00 O ATOM 614 OE2 GLU A 40 3.016 -8.596 -15.598 1.00 0.00 O ATOM 0 H GLU A 40 5.407 -9.035 -11.133 1.00 0.00 H new ATOM 0 HA GLU A 40 7.553 -8.349 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.943 -8.706 -14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.425 -9.833 -13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.446 -8.724 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.239 -7.163 -13.022 1.00 0.00 H new ATOM 621 N LEU A 41 6.359 -5.997 -11.459 1.00 0.00 N ATOM 622 CA LEU A 41 6.199 -4.543 -11.344 1.00 0.00 C ATOM 623 C LEU A 41 7.232 -3.808 -12.203 1.00 0.00 C ATOM 624 O LEU A 41 6.949 -2.741 -12.741 1.00 0.00 O ATOM 625 CB LEU A 41 6.349 -4.088 -9.886 1.00 0.00 C ATOM 626 CG LEU A 41 5.249 -3.148 -9.371 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.292 -1.828 -10.146 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.876 -3.803 -9.558 1.00 0.00 C ATOM 0 H LEU A 41 6.473 -6.484 -10.570 1.00 0.00 H new ATOM 0 HA LEU A 41 5.197 -4.299 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.375 -4.972 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.311 -3.587 -9.777 1.00 0.00 H new ATOM 0 HG LEU A 41 5.416 -2.953 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.510 -1.164 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.264 -1.356 -10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.132 -2.023 -11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.100 -3.132 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.710 -4.005 -10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.840 -4.739 -9.000 1.00 0.00 H new ATOM 640 N GLY A 42 8.430 -4.396 -12.336 1.00 0.00 N ATOM 641 CA GLY A 42 9.489 -3.789 -13.148 1.00 0.00 C ATOM 642 C GLY A 42 9.033 -3.595 -14.598 1.00 0.00 C ATOM 643 O GLY A 42 9.434 -2.636 -15.260 1.00 0.00 O ATOM 0 H GLY A 42 8.686 -5.280 -11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.772 -2.827 -12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.377 -4.421 -13.125 1.00 0.00 H new ATOM 647 N LYS A 43 8.185 -4.515 -15.077 1.00 0.00 N ATOM 648 CA LYS A 43 7.666 -4.443 -16.448 1.00 0.00 C ATOM 649 C LYS A 43 6.655 -3.299 -16.597 1.00 0.00 C ATOM 650 O LYS A 43 6.504 -2.734 -17.682 1.00 0.00 O ATOM 651 CB LYS A 43 6.980 -5.759 -16.842 1.00 0.00 C ATOM 652 CG LYS A 43 7.979 -6.918 -16.755 1.00 0.00 C ATOM 653 CD LYS A 43 9.067 -6.747 -17.818 1.00 0.00 C ATOM 654 CE LYS A 43 9.975 -7.980 -17.827 1.00 0.00 C ATOM 655 NZ LYS A 43 10.938 -7.905 -16.689 1.00 0.00 N ATOM 0 H LYS A 43 7.846 -5.313 -14.539 1.00 0.00 H new ATOM 0 HA LYS A 43 8.517 -4.262 -17.105 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.133 -5.948 -16.183 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.585 -5.684 -17.855 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.429 -6.948 -15.763 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.462 -7.867 -16.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.613 -6.610 -18.799 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.654 -5.852 -17.611 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.374 -8.886 -17.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.517 -8.038 -18.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.553 -8.744 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.520 -7.048 -16.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.413 -7.871 -15.792 1.00 0.00 H new ATOM 669 N VAL A 44 5.969 -2.960 -15.499 1.00 0.00 N ATOM 670 CA VAL A 44 4.981 -1.875 -15.528 1.00 0.00 C ATOM 671 C VAL A 44 5.662 -0.543 -15.197 1.00 0.00 C ATOM 672 O VAL A 44 5.318 0.497 -15.759 1.00 0.00 O ATOM 673 CB VAL A 44 3.798 -2.138 -14.554 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.719 -3.627 -14.191 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.946 -1.322 -13.260 1.00 0.00 C ATOM 0 H VAL A 44 6.077 -3.414 -14.592 1.00 0.00 H new ATOM 0 HA VAL A 44 4.565 -1.829 -16.534 1.00 0.00 H new ATOM 0 HB VAL A 44 2.886 -1.832 -15.066 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.885 -3.791 -13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.568 -4.215 -15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.648 -3.934 -13.710 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.103 -1.529 -12.601 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.874 -1.599 -12.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.966 -0.259 -13.500 1.00 0.00 H new ATOM 685 N MET A 45 6.637 -0.595 -14.283 1.00 0.00 N ATOM 686 CA MET A 45 7.373 0.602 -13.884 1.00 0.00 C ATOM 687 C MET A 45 8.177 1.148 -15.060 1.00 0.00 C ATOM 688 O MET A 45 8.224 2.359 -15.275 1.00 0.00 O ATOM 689 CB MET A 45 8.324 0.294 -12.723 1.00 0.00 C ATOM 690 CG MET A 45 8.284 1.442 -11.714 1.00 0.00 C ATOM 691 SD MET A 45 6.909 1.192 -10.565 1.00 0.00 S ATOM 692 CE MET A 45 7.792 1.642 -9.053 1.00 0.00 C ATOM 0 H MET A 45 6.931 -1.449 -13.810 1.00 0.00 H new ATOM 0 HA MET A 45 6.647 1.349 -13.561 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.035 -0.639 -12.240 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.339 0.159 -13.096 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.225 1.491 -11.166 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.168 2.393 -12.234 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.106 2.135 -8.364 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.193 0.743 -8.585 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.610 2.320 -9.297 1.00 0.00 H new ATOM 702 N ARG A 46 8.796 0.242 -15.830 1.00 0.00 N ATOM 703 CA ARG A 46 9.582 0.657 -16.997 1.00 0.00 C ATOM 704 C ARG A 46 8.687 1.386 -18.006 1.00 0.00 C ATOM 705 O ARG A 46 9.117 2.343 -18.653 1.00 0.00 O ATOM 706 CB ARG A 46 10.254 -0.550 -17.673 1.00 0.00 C ATOM 707 CG ARG A 46 9.197 -1.493 -18.259 1.00 0.00 C ATOM 708 CD ARG A 46 9.871 -2.757 -18.804 1.00 0.00 C ATOM 709 NE ARG A 46 10.752 -2.434 -19.932 1.00 0.00 N ATOM 710 CZ ARG A 46 12.073 -2.246 -19.775 1.00 0.00 C ATOM 711 NH1 ARG A 46 12.639 -2.354 -18.595 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.808 -1.949 -20.817 1.00 0.00 N ATOM 0 H ARG A 46 8.769 -0.765 -15.669 1.00 0.00 H new ATOM 0 HA ARG A 46 10.363 1.334 -16.651 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.922 -0.207 -18.463 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.867 -1.086 -16.948 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.470 -1.760 -17.492 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.650 -0.990 -19.056 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.447 -3.237 -18.013 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.111 -3.471 -19.123 1.00 0.00 H new ATOM 0 HE ARG A 46 10.349 -2.349 -20.865 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.074 -2.584 -17.778 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.644 -2.208 -18.496 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.377 -1.862 -21.737 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.812 -1.804 -20.708 1.00 0.00 H new ATOM 726 N MET A 47 7.429 0.936 -18.110 1.00 0.00 N ATOM 727 CA MET A 47 6.466 1.564 -19.016 1.00 0.00 C ATOM 728 C MET A 47 6.000 2.906 -18.442 1.00 0.00 C ATOM 729 O MET A 47 5.712 3.846 -19.183 1.00 0.00 O ATOM 730 CB MET A 47 5.247 0.655 -19.222 1.00 0.00 C ATOM 731 CG MET A 47 5.651 -0.574 -20.041 1.00 0.00 C ATOM 732 SD MET A 47 6.008 -0.077 -21.745 1.00 0.00 S ATOM 733 CE MET A 47 7.760 -0.530 -21.754 1.00 0.00 C ATOM 0 H MET A 47 7.059 0.146 -17.581 1.00 0.00 H new ATOM 0 HA MET A 47 6.958 1.726 -19.975 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.846 0.345 -18.257 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.456 1.202 -19.735 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.528 -1.047 -19.598 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.849 -1.312 -20.027 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.159 -0.421 -22.763 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.308 0.123 -21.075 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.870 -1.565 -21.430 1.00 0.00 H new ATOM 743 N LEU A 48 5.947 2.983 -17.105 1.00 0.00 N ATOM 744 CA LEU A 48 5.536 4.209 -16.416 1.00 0.00 C ATOM 745 C LEU A 48 6.622 5.284 -16.541 1.00 0.00 C ATOM 746 O LEU A 48 6.327 6.480 -16.565 1.00 0.00 O ATOM 747 CB LEU A 48 5.291 3.925 -14.928 1.00 0.00 C ATOM 748 CG LEU A 48 3.849 3.568 -14.535 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.223 2.633 -15.578 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.860 2.870 -13.171 1.00 0.00 C ATOM 0 H LEU A 48 6.184 2.211 -16.482 1.00 0.00 H new ATOM 0 HA LEU A 48 4.616 4.565 -16.880 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.942 3.106 -14.624 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.595 4.802 -14.357 1.00 0.00 H new ATOM 0 HG LEU A 48 3.258 4.483 -14.485 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.202 2.391 -15.283 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.213 3.127 -16.550 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.809 1.716 -15.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.840 2.614 -12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.459 1.961 -13.232 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.289 3.538 -12.424 1.00 0.00 H new ATOM 762 N GLY A 49 7.881 4.836 -16.625 1.00 0.00 N ATOM 763 CA GLY A 49 9.017 5.755 -16.753 1.00 0.00 C ATOM 764 C GLY A 49 10.013 5.616 -15.591 1.00 0.00 C ATOM 765 O GLY A 49 10.823 6.514 -15.359 1.00 0.00 O ATOM 0 H GLY A 49 8.137 3.849 -16.607 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.532 5.564 -17.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.649 6.780 -16.793 1.00 0.00 H new ATOM 769 N GLN A 50 9.954 4.487 -14.868 1.00 0.00 N ATOM 770 CA GLN A 50 10.866 4.255 -13.739 1.00 0.00 C ATOM 771 C GLN A 50 11.475 2.853 -13.826 1.00 0.00 C ATOM 772 O GLN A 50 11.036 2.022 -14.623 1.00 0.00 O ATOM 773 CB GLN A 50 10.134 4.388 -12.392 1.00 0.00 C ATOM 774 CG GLN A 50 9.111 5.534 -12.438 1.00 0.00 C ATOM 775 CD GLN A 50 9.830 6.882 -12.455 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.828 7.073 -11.758 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.377 7.841 -13.218 1.00 0.00 N ATOM 0 H GLN A 50 9.293 3.730 -15.042 1.00 0.00 H new ATOM 0 HA GLN A 50 11.651 5.009 -13.796 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.628 3.452 -12.154 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.857 4.571 -11.597 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.484 5.437 -13.325 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.450 5.477 -11.573 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.551 7.686 -13.796 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.849 8.745 -13.236 1.00 0.00 H new ATOM 786 N ASN A 51 12.491 2.594 -12.996 1.00 0.00 N ATOM 787 CA ASN A 51 13.146 1.284 -12.995 1.00 0.00 C ATOM 788 C ASN A 51 13.854 1.024 -11.657 1.00 0.00 C ATOM 789 O ASN A 51 15.071 1.188 -11.541 1.00 0.00 O ATOM 790 CB ASN A 51 14.165 1.197 -14.140 1.00 0.00 C ATOM 791 CG ASN A 51 14.482 -0.265 -14.439 1.00 0.00 C ATOM 792 OD1 ASN A 51 13.588 -1.047 -14.772 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.714 -0.689 -14.344 1.00 0.00 N ATOM 0 H ASN A 51 12.872 3.263 -12.327 1.00 0.00 H new ATOM 0 HA ASN A 51 12.377 0.525 -13.137 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.767 1.682 -15.031 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.077 1.728 -13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.935 -1.664 -14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.455 -0.045 -14.069 1.00 0.00 H new ATOM 800 N PRO A 52 13.091 0.608 -10.636 1.00 0.00 N ATOM 801 CA PRO A 52 13.645 0.314 -9.300 1.00 0.00 C ATOM 802 C PRO A 52 14.217 -1.107 -9.203 1.00 0.00 C ATOM 803 O PRO A 52 14.521 -1.736 -10.219 1.00 0.00 O ATOM 804 CB PRO A 52 12.414 0.467 -8.410 1.00 0.00 C ATOM 805 CG PRO A 52 11.194 0.223 -9.289 1.00 0.00 C ATOM 806 CD PRO A 52 11.632 0.410 -10.747 1.00 0.00 C ATOM 0 HA PRO A 52 14.480 0.961 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.444 -0.245 -7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.378 1.463 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.803 -0.782 -9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.394 0.919 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.389 -0.461 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.143 1.268 -11.208 1.00 0.00 H new ATOM 814 N THR A 53 14.353 -1.603 -7.971 1.00 0.00 N ATOM 815 CA THR A 53 14.879 -2.950 -7.739 1.00 0.00 C ATOM 816 C THR A 53 13.742 -3.867 -7.267 1.00 0.00 C ATOM 817 O THR A 53 12.630 -3.396 -7.014 1.00 0.00 O ATOM 818 CB THR A 53 15.997 -2.913 -6.675 1.00 0.00 C ATOM 819 OG1 THR A 53 15.428 -2.956 -5.372 1.00 0.00 O ATOM 820 CG2 THR A 53 16.819 -1.630 -6.822 1.00 0.00 C ATOM 0 H THR A 53 14.107 -1.094 -7.122 1.00 0.00 H new ATOM 0 HA THR A 53 15.296 -3.335 -8.670 1.00 0.00 H new ATOM 0 HB THR A 53 16.645 -3.778 -6.819 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.143 -2.934 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.605 -1.613 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.268 -1.597 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.170 -0.765 -6.689 1.00 0.00 H new ATOM 828 N PRO A 54 13.999 -5.177 -7.126 1.00 0.00 N ATOM 829 CA PRO A 54 12.963 -6.123 -6.661 1.00 0.00 C ATOM 830 C PRO A 54 12.685 -5.979 -5.163 1.00 0.00 C ATOM 831 O PRO A 54 11.579 -6.252 -4.698 1.00 0.00 O ATOM 832 CB PRO A 54 13.570 -7.479 -7.005 1.00 0.00 C ATOM 833 CG PRO A 54 15.076 -7.279 -7.096 1.00 0.00 C ATOM 834 CD PRO A 54 15.315 -5.796 -7.400 1.00 0.00 C ATOM 0 HA PRO A 54 11.991 -5.959 -7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.324 -8.217 -6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.172 -7.852 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.560 -7.564 -6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.501 -7.906 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.097 -5.376 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.625 -5.642 -8.434 1.00 0.00 H new ATOM 842 N GLU A 55 13.698 -5.513 -4.422 1.00 0.00 N ATOM 843 CA GLU A 55 13.551 -5.297 -2.984 1.00 0.00 C ATOM 844 C GLU A 55 12.848 -3.960 -2.728 1.00 0.00 C ATOM 845 O GLU A 55 12.078 -3.822 -1.776 1.00 0.00 O ATOM 846 CB GLU A 55 14.920 -5.288 -2.294 1.00 0.00 C ATOM 847 CG GLU A 55 15.588 -6.660 -2.455 1.00 0.00 C ATOM 848 CD GLU A 55 16.498 -6.933 -1.261 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.659 -6.562 -1.328 1.00 0.00 O ATOM 850 OE2 GLU A 55 16.022 -7.510 -0.298 1.00 0.00 O ATOM 0 H GLU A 55 14.619 -5.281 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 55 12.954 -6.112 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.551 -4.512 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.804 -5.051 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.829 -7.438 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.166 -6.688 -3.379 1.00 0.00 H new ATOM 857 N GLU A 56 13.121 -2.978 -3.602 1.00 0.00 N ATOM 858 CA GLU A 56 12.514 -1.651 -3.480 1.00 0.00 C ATOM 859 C GLU A 56 11.024 -1.704 -3.830 1.00 0.00 C ATOM 860 O GLU A 56 10.187 -1.185 -3.090 1.00 0.00 O ATOM 861 CB GLU A 56 13.217 -0.654 -4.411 1.00 0.00 C ATOM 862 CG GLU A 56 12.879 0.779 -3.986 1.00 0.00 C ATOM 863 CD GLU A 56 12.535 1.610 -5.219 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.446 2.186 -5.794 1.00 0.00 O ATOM 865 OE2 GLU A 56 11.367 1.657 -5.570 1.00 0.00 O ATOM 0 H GLU A 56 13.755 -3.081 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 56 12.627 -1.323 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.295 -0.809 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.903 -0.821 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.039 0.775 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.725 1.222 -3.460 1.00 0.00 H new ATOM 872 N LEU A 57 10.704 -2.338 -4.966 1.00 0.00 N ATOM 873 CA LEU A 57 9.309 -2.453 -5.401 1.00 0.00 C ATOM 874 C LEU A 57 8.493 -3.298 -4.417 1.00 0.00 C ATOM 875 O LEU A 57 7.300 -3.066 -4.233 1.00 0.00 O ATOM 876 CB LEU A 57 9.224 -3.073 -6.804 1.00 0.00 C ATOM 877 CG LEU A 57 9.559 -4.569 -6.901 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.301 -5.404 -6.637 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.084 -4.878 -8.306 1.00 0.00 C ATOM 0 H LEU A 57 11.382 -2.773 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 57 8.891 -1.447 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.214 -2.922 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.899 -2.526 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 57 10.317 -4.817 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.546 -6.464 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.922 -5.185 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.539 -5.158 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.323 -5.939 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.322 -4.626 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.981 -4.290 -8.497 1.00 0.00 H new ATOM 891 N GLN A 58 9.142 -4.281 -3.780 1.00 0.00 N ATOM 892 CA GLN A 58 8.450 -5.142 -2.818 1.00 0.00 C ATOM 893 C GLN A 58 7.917 -4.328 -1.630 1.00 0.00 C ATOM 894 O GLN A 58 6.898 -4.683 -1.036 1.00 0.00 O ATOM 895 CB GLN A 58 9.386 -6.240 -2.298 1.00 0.00 C ATOM 896 CG GLN A 58 8.569 -7.326 -1.586 1.00 0.00 C ATOM 897 CD GLN A 58 7.671 -8.049 -2.593 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.140 -8.889 -3.361 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.394 -7.768 -2.636 1.00 0.00 N ATOM 0 H GLN A 58 10.130 -4.497 -3.912 1.00 0.00 H new ATOM 0 HA GLN A 58 7.610 -5.601 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.945 -6.677 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.116 -5.813 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.238 -8.039 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.961 -6.879 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.003 -7.072 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.789 -8.245 -3.305 1.00 0.00 H new ATOM 908 N GLU A 59 8.610 -3.232 -1.293 1.00 0.00 N ATOM 909 CA GLU A 59 8.187 -2.380 -0.177 1.00 0.00 C ATOM 910 C GLU A 59 6.861 -1.690 -0.491 1.00 0.00 C ATOM 911 O GLU A 59 5.923 -1.750 0.306 1.00 0.00 O ATOM 912 CB GLU A 59 9.245 -1.313 0.129 1.00 0.00 C ATOM 913 CG GLU A 59 10.259 -1.867 1.135 1.00 0.00 C ATOM 914 CD GLU A 59 9.624 -1.937 2.524 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.571 -0.911 3.183 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.202 -3.016 2.908 1.00 0.00 O ATOM 0 H GLU A 59 9.455 -2.919 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 59 8.062 -3.023 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.753 -1.017 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.769 -0.419 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.588 -2.859 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.144 -1.231 1.161 1.00 0.00 H new ATOM 923 N MET A 60 6.783 -1.043 -1.661 1.00 0.00 N ATOM 924 CA MET A 60 5.548 -0.360 -2.055 1.00 0.00 C ATOM 925 C MET A 60 4.417 -1.374 -2.224 1.00 0.00 C ATOM 926 O MET A 60 3.265 -1.087 -1.908 1.00 0.00 O ATOM 927 CB MET A 60 5.733 0.447 -3.351 1.00 0.00 C ATOM 928 CG MET A 60 6.245 -0.452 -4.481 1.00 0.00 C ATOM 929 SD MET A 60 6.335 0.505 -6.015 1.00 0.00 S ATOM 930 CE MET A 60 7.943 1.281 -5.711 1.00 0.00 C ATOM 0 H MET A 60 7.544 -0.979 -2.337 1.00 0.00 H new ATOM 0 HA MET A 60 5.289 0.341 -1.262 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.785 0.900 -3.641 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.437 1.262 -3.181 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.228 -0.848 -4.228 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.581 -1.306 -4.611 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.898 2.333 -5.992 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.193 1.198 -4.653 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.707 0.779 -6.305 1.00 0.00 H new ATOM 940 N ILE A 61 4.766 -2.573 -2.699 1.00 0.00 N ATOM 941 CA ILE A 61 3.778 -3.638 -2.876 1.00 0.00 C ATOM 942 C ILE A 61 3.245 -4.079 -1.511 1.00 0.00 C ATOM 943 O ILE A 61 2.045 -4.267 -1.335 1.00 0.00 O ATOM 944 CB ILE A 61 4.406 -4.844 -3.594 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.736 -4.464 -5.047 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.438 -6.031 -3.577 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.461 -4.051 -5.790 1.00 0.00 C ATOM 0 H ILE A 61 5.717 -2.828 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 61 2.959 -3.254 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 61 5.322 -5.129 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.455 -3.645 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.203 -5.308 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.893 -6.879 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.217 -6.305 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.514 -5.754 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.709 -3.784 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.755 -4.882 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.011 -3.193 -5.291 1.00 0.00 H new ATOM 959 N ASP A 62 4.156 -4.231 -0.549 1.00 0.00 N ATOM 960 CA ASP A 62 3.774 -4.640 0.805 1.00 0.00 C ATOM 961 C ASP A 62 2.793 -3.636 1.423 1.00 0.00 C ATOM 962 O ASP A 62 1.864 -4.023 2.134 1.00 0.00 O ATOM 963 CB ASP A 62 5.013 -4.743 1.703 1.00 0.00 C ATOM 964 CG ASP A 62 4.725 -5.675 2.876 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.178 -5.207 3.862 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.061 -6.843 2.774 1.00 0.00 O ATOM 0 H ASP A 62 5.156 -4.079 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 62 3.292 -5.615 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.860 -5.118 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.290 -3.755 2.071 1.00 0.00 H new ATOM 971 N GLU A 63 3.010 -2.344 1.146 1.00 0.00 N ATOM 972 CA GLU A 63 2.138 -1.295 1.683 1.00 0.00 C ATOM 973 C GLU A 63 0.839 -1.204 0.880 1.00 0.00 C ATOM 974 O GLU A 63 -0.258 -1.259 1.439 1.00 0.00 O ATOM 975 CB GLU A 63 2.843 0.065 1.632 1.00 0.00 C ATOM 976 CG GLU A 63 3.472 0.379 2.992 1.00 0.00 C ATOM 977 CD GLU A 63 3.670 1.886 3.127 1.00 0.00 C ATOM 978 OE1 GLU A 63 2.734 2.555 3.535 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.756 2.351 2.820 1.00 0.00 O ATOM 0 H GLU A 63 3.773 -2.004 0.560 1.00 0.00 H new ATOM 0 HA GLU A 63 1.908 -1.554 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.612 0.057 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.130 0.844 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.831 0.013 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.429 -0.134 3.089 1.00 0.00 H new ATOM 986 N VAL A 64 0.987 -1.056 -0.439 1.00 0.00 N ATOM 987 CA VAL A 64 -0.156 -0.943 -1.346 1.00 0.00 C ATOM 988 C VAL A 64 -1.043 -2.183 -1.263 1.00 0.00 C ATOM 989 O VAL A 64 -2.222 -2.095 -0.916 1.00 0.00 O ATOM 990 CB VAL A 64 0.346 -0.768 -2.783 1.00 0.00 C ATOM 991 CG1 VAL A 64 -0.833 -0.747 -3.755 1.00 0.00 C ATOM 992 CG2 VAL A 64 1.123 0.546 -2.880 1.00 0.00 C ATOM 0 H VAL A 64 1.894 -1.012 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.746 -0.076 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 64 0.996 -1.602 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.463 -0.622 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.382 -1.686 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.496 0.082 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.485 0.680 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.468 1.376 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.970 0.519 -2.195 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.455 -3.335 -1.584 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.184 -4.606 -1.544 1.00 0.00 C ATOM 1004 C ASP A 65 -1.652 -4.900 -0.115 1.00 0.00 C ATOM 1005 O ASP A 65 -0.897 -5.422 0.708 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.288 -5.756 -2.033 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.083 -6.702 -2.935 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.195 -7.055 -2.570 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.561 -7.067 -3.977 1.00 0.00 O ATOM 0 H ASP A 65 0.520 -3.416 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.050 -4.525 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.566 -5.354 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.109 -6.305 -1.179 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.908 -4.542 0.168 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.481 -4.752 1.503 1.00 0.00 C ATOM 1016 C GLU A 66 -3.587 -6.243 1.833 1.00 0.00 C ATOM 1017 O GLU A 66 -3.339 -6.655 2.968 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.871 -4.103 1.614 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.817 -4.670 0.547 1.00 0.00 C ATOM 1020 CD GLU A 66 -7.121 -3.876 0.550 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.137 -2.796 -0.018 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -8.084 -4.361 1.122 1.00 0.00 O ATOM 0 H GLU A 66 -3.544 -4.109 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.809 -4.280 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.284 -4.282 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.785 -3.023 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.348 -4.616 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.019 -5.722 0.747 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.950 -7.048 0.830 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.077 -8.494 1.029 1.00 0.00 C ATOM 1031 C ASP A 67 -2.713 -9.177 0.923 1.00 0.00 C ATOM 1032 O ASP A 67 -2.421 -10.119 1.663 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.053 -9.119 0.015 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.763 -8.614 -1.401 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.237 -7.540 -1.736 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.079 -9.311 -2.129 1.00 0.00 O ATOM 0 H ASP A 67 -4.159 -6.728 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.477 -8.650 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.968 -10.205 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.078 -8.873 0.291 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.878 -8.688 0.001 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.544 -9.249 -0.191 1.00 0.00 C ATOM 1043 C GLY A 68 -0.616 -10.606 -0.884 1.00 0.00 C ATOM 1044 O GLY A 68 0.003 -11.576 -0.444 1.00 0.00 O ATOM 0 H GLY A 68 -2.103 -7.910 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.060 -8.564 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.048 -9.355 0.774 1.00 0.00 H new ATOM 1048 N SER A 69 -1.383 -10.659 -1.974 1.00 0.00 N ATOM 1049 CA SER A 69 -1.540 -11.902 -2.735 1.00 0.00 C ATOM 1050 C SER A 69 -0.443 -12.060 -3.802 1.00 0.00 C ATOM 1051 O SER A 69 -0.477 -13.002 -4.597 1.00 0.00 O ATOM 1052 CB SER A 69 -2.906 -11.934 -3.428 1.00 0.00 C ATOM 1053 OG SER A 69 -3.028 -10.803 -4.291 1.00 0.00 O ATOM 0 H SER A 69 -1.901 -9.864 -2.348 1.00 0.00 H new ATOM 0 HA SER A 69 -1.459 -12.724 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.014 -12.855 -4.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.703 -11.926 -2.685 1.00 0.00 H new ATOM 0 HG SER A 69 -2.887 -11.083 -5.219 1.00 0.00 H new ATOM 1059 N GLY A 70 0.519 -11.126 -3.828 1.00 0.00 N ATOM 1060 CA GLY A 70 1.592 -11.178 -4.819 1.00 0.00 C ATOM 1061 C GLY A 70 1.078 -10.726 -6.186 1.00 0.00 C ATOM 1062 O GLY A 70 1.674 -11.039 -7.220 1.00 0.00 O ATOM 0 H GLY A 70 0.573 -10.338 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.417 -10.539 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.983 -12.193 -4.888 1.00 0.00 H new ATOM 1066 N THR A 71 -0.043 -9.989 -6.180 1.00 0.00 N ATOM 1067 CA THR A 71 -0.642 -9.500 -7.419 1.00 0.00 C ATOM 1068 C THR A 71 -1.262 -8.120 -7.202 1.00 0.00 C ATOM 1069 O THR A 71 -2.055 -7.919 -6.278 1.00 0.00 O ATOM 1070 CB THR A 71 -1.730 -10.468 -7.914 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.831 -10.456 -7.013 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.159 -11.885 -7.995 1.00 0.00 C ATOM 0 H THR A 71 -0.546 -9.723 -5.334 1.00 0.00 H new ATOM 0 HA THR A 71 0.146 -9.431 -8.169 1.00 0.00 H new ATOM 0 HB THR A 71 -2.066 -10.152 -8.902 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.669 -10.492 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.932 -12.569 -8.346 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.319 -11.900 -8.689 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.819 -12.197 -7.008 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.894 -7.174 -8.066 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.422 -5.813 -7.961 1.00 0.00 C ATOM 1082 C VAL A 72 -2.718 -5.675 -8.752 1.00 0.00 C ATOM 1083 O VAL A 72 -2.732 -5.810 -9.977 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.429 -4.778 -8.500 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.858 -3.377 -8.056 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.977 -5.065 -7.966 1.00 0.00 C ATOM 0 H VAL A 72 -0.242 -7.321 -8.836 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.600 -5.629 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.418 -4.835 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.151 -2.641 -8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.853 -3.161 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.875 -3.330 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.673 -4.323 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.969 -5.018 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.291 -6.059 -8.284 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.796 -5.368 -8.040 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.094 -5.166 -8.682 1.00 0.00 C ATOM 1098 C ASP A 73 -5.140 -3.749 -9.250 1.00 0.00 C ATOM 1099 O ASP A 73 -4.288 -2.926 -8.920 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.234 -5.352 -7.673 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.302 -6.816 -7.243 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.544 -7.192 -6.361 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.112 -7.539 -7.800 1.00 0.00 O ATOM 0 H ASP A 73 -3.800 -5.254 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.220 -5.900 -9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.072 -4.714 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.181 -5.049 -8.119 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.118 -3.464 -10.113 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.210 -2.126 -10.704 1.00 0.00 C ATOM 1110 C PHE A 74 -6.317 -1.053 -9.616 1.00 0.00 C ATOM 1111 O PHE A 74 -5.732 0.022 -9.743 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.406 -2.011 -11.654 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.265 -0.752 -12.472 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.055 -0.473 -13.121 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.338 0.138 -12.580 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.919 0.694 -13.873 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.201 1.308 -13.335 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.993 1.587 -13.981 1.00 0.00 C ATOM 0 H PHE A 74 -6.839 -4.121 -10.412 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.296 -1.967 -11.276 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.452 -2.882 -12.308 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.336 -1.989 -11.087 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.227 -1.162 -13.039 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.271 -0.077 -12.081 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.986 0.909 -14.372 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.029 1.996 -13.419 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.888 2.491 -14.563 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.048 -1.364 -8.539 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.194 -0.419 -7.430 1.00 0.00 C ATOM 1130 C ASP A 75 -5.836 -0.194 -6.761 1.00 0.00 C ATOM 1131 O ASP A 75 -5.463 0.938 -6.451 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.190 -0.948 -6.389 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.496 0.146 -5.368 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.311 1.001 -5.670 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -7.910 0.112 -4.297 1.00 0.00 O ATOM 0 H ASP A 75 -7.540 -2.249 -8.414 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.571 0.522 -7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.109 -1.268 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.776 -1.822 -5.887 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.097 -1.293 -6.565 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.767 -1.228 -5.956 1.00 0.00 C ATOM 1142 C GLU A 76 -2.758 -0.603 -6.929 1.00 0.00 C ATOM 1143 O GLU A 76 -1.743 -0.050 -6.514 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.277 -2.634 -5.582 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.302 -3.331 -4.672 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.953 -4.820 -4.498 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.906 -5.241 -4.968 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.747 -5.521 -3.894 1.00 0.00 O ATOM 0 H GLU A 76 -5.398 -2.234 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.843 -0.613 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.121 -3.224 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.315 -2.568 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.323 -2.841 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.300 -3.234 -5.099 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.052 -0.712 -8.229 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.177 -0.171 -9.273 1.00 0.00 C ATOM 1157 C PHE A 77 -2.158 1.358 -9.228 1.00 0.00 C ATOM 1158 O PHE A 77 -1.093 1.976 -9.166 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.680 -0.629 -10.650 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.542 -0.830 -11.630 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.213 -0.984 -11.194 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.833 -0.875 -12.997 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.809 -1.177 -12.127 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.807 -1.072 -13.927 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.513 -1.221 -13.493 1.00 0.00 C ATOM 0 H PHE A 77 -3.891 -1.171 -8.583 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.166 -0.539 -9.101 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.235 -1.561 -10.542 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.375 0.111 -11.047 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.017 -0.953 -10.139 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.852 -0.757 -13.335 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.829 -1.292 -11.793 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.035 -1.109 -14.982 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.304 -1.370 -14.213 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.353 1.955 -9.260 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.484 3.414 -9.224 1.00 0.00 C ATOM 1177 C LEU A 78 -3.019 3.969 -7.876 1.00 0.00 C ATOM 1178 O LEU A 78 -2.393 5.030 -7.813 1.00 0.00 O ATOM 1179 CB LEU A 78 -4.943 3.824 -9.458 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.642 3.134 -10.639 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -6.910 3.906 -11.004 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -4.699 3.093 -11.846 1.00 0.00 C ATOM 0 H LEU A 78 -4.240 1.453 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.857 3.825 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.511 3.617 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.978 4.902 -9.617 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.907 2.115 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.406 3.416 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.583 3.927 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.647 4.926 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.199 2.603 -12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.428 4.110 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.798 2.537 -11.585 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.321 3.233 -6.800 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.920 3.652 -5.456 1.00 0.00 C ATOM 1196 C VAL A 79 -1.393 3.614 -5.341 1.00 0.00 C ATOM 1197 O VAL A 79 -0.780 4.529 -4.800 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.583 2.753 -4.391 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.592 1.746 -3.802 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.138 3.630 -3.265 1.00 0.00 C ATOM 0 H VAL A 79 -3.836 2.353 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.256 4.674 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.385 2.195 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.097 1.132 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.206 1.108 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.766 2.280 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.607 2.999 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.325 4.196 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.877 4.320 -3.672 1.00 0.00 H new ATOM 1210 N MET A 80 -0.798 2.543 -5.879 1.00 0.00 N ATOM 1211 CA MET A 80 0.662 2.371 -5.866 1.00 0.00 C ATOM 1212 C MET A 80 1.377 3.659 -6.293 1.00 0.00 C ATOM 1213 O MET A 80 2.453 3.979 -5.783 1.00 0.00 O ATOM 1214 CB MET A 80 1.072 1.255 -6.835 1.00 0.00 C ATOM 1215 CG MET A 80 2.072 0.319 -6.156 1.00 0.00 C ATOM 1216 SD MET A 80 2.921 -0.672 -7.410 1.00 0.00 S ATOM 1217 CE MET A 80 3.794 0.689 -8.228 1.00 0.00 C ATOM 0 H MET A 80 -1.304 1.781 -6.330 1.00 0.00 H new ATOM 0 HA MET A 80 0.950 2.117 -4.846 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.192 0.694 -7.151 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.515 1.686 -7.733 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.797 0.898 -5.583 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.555 -0.332 -5.451 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.804 0.370 -8.486 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.259 0.971 -9.135 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.844 1.545 -7.555 1.00 0.00 H new ATOM 1227 N MET A 81 0.769 4.385 -7.238 1.00 0.00 N ATOM 1228 CA MET A 81 1.357 5.630 -7.736 1.00 0.00 C ATOM 1229 C MET A 81 1.352 6.710 -6.653 1.00 0.00 C ATOM 1230 O MET A 81 2.401 7.250 -6.297 1.00 0.00 O ATOM 1231 CB MET A 81 0.575 6.133 -8.951 1.00 0.00 C ATOM 1232 CG MET A 81 1.428 7.128 -9.744 1.00 0.00 C ATOM 1233 SD MET A 81 0.569 8.718 -9.844 1.00 0.00 S ATOM 1234 CE MET A 81 -0.994 8.097 -10.515 1.00 0.00 C ATOM 0 H MET A 81 -0.121 4.134 -7.669 1.00 0.00 H new ATOM 0 HA MET A 81 2.388 5.422 -8.022 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.294 5.293 -9.587 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.350 6.611 -8.627 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.397 7.256 -9.262 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.618 6.742 -10.746 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.313 8.732 -11.342 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.856 7.077 -10.873 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.755 8.108 -9.735 1.00 0.00 H new ATOM 1244 N VAL A 82 0.159 7.015 -6.134 1.00 0.00 N ATOM 1245 CA VAL A 82 0.023 8.036 -5.086 1.00 0.00 C ATOM 1246 C VAL A 82 0.746 7.613 -3.803 1.00 0.00 C ATOM 1247 O VAL A 82 1.219 8.457 -3.048 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.453 8.315 -4.768 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.127 8.945 -5.990 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.173 7.011 -4.406 1.00 0.00 C ATOM 0 H VAL A 82 -0.718 6.577 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 82 0.482 8.948 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.510 8.999 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.175 9.144 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.626 9.880 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.060 8.260 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.219 7.223 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.114 6.318 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.699 6.564 -3.532 1.00 0.00 H new ATOM 1260 N ARG A 83 0.833 6.302 -3.568 1.00 0.00 N ATOM 1261 CA ARG A 83 1.513 5.787 -2.374 1.00 0.00 C ATOM 1262 C ARG A 83 3.000 6.161 -2.393 1.00 0.00 C ATOM 1263 O ARG A 83 3.613 6.356 -1.343 1.00 0.00 O ATOM 1264 CB ARG A 83 1.388 4.262 -2.298 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.063 3.881 -1.995 1.00 0.00 C ATOM 1266 CD ARG A 83 -0.115 2.979 -0.761 1.00 0.00 C ATOM 1267 NE ARG A 83 -1.432 2.348 -0.639 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.763 1.610 0.428 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.930 1.471 1.432 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.934 1.030 0.472 1.00 0.00 N ATOM 0 H ARG A 83 0.446 5.583 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 83 1.036 6.236 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.703 3.814 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.047 3.871 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.657 4.779 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.500 3.367 -2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.657 2.212 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.098 3.564 0.133 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.114 2.474 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.018 1.928 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.194 0.906 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.588 1.141 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.194 0.466 1.281 1.00 0.00 H new ATOM 1284 N CYS A 84 3.570 6.259 -3.600 1.00 0.00 N ATOM 1285 CA CYS A 84 4.985 6.612 -3.748 1.00 0.00 C ATOM 1286 C CYS A 84 5.210 8.106 -3.497 1.00 0.00 C ATOM 1287 O CYS A 84 6.212 8.495 -2.894 1.00 0.00 O ATOM 1288 CB CYS A 84 5.484 6.262 -5.153 1.00 0.00 C ATOM 1289 SG CYS A 84 5.795 4.482 -5.261 1.00 0.00 S ATOM 0 H CYS A 84 3.078 6.100 -4.479 1.00 0.00 H new ATOM 0 HA CYS A 84 5.543 6.038 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.744 6.558 -5.897 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.397 6.815 -5.374 1.00 0.00 H new ATOM 0 HG CYS A 84 4.672 3.856 -5.452 1.00 0.00 H new ATOM 1295 N MET A 85 4.272 8.941 -3.966 1.00 0.00 N ATOM 1296 CA MET A 85 4.394 10.391 -3.783 1.00 0.00 C ATOM 1297 C MET A 85 3.723 10.830 -2.478 1.00 0.00 C ATOM 1298 O MET A 85 4.391 11.286 -1.549 1.00 0.00 O ATOM 1299 CB MET A 85 3.757 11.141 -4.962 1.00 0.00 C ATOM 1300 CG MET A 85 4.565 12.407 -5.265 1.00 0.00 C ATOM 1301 SD MET A 85 3.934 13.783 -4.270 1.00 0.00 S ATOM 1302 CE MET A 85 4.031 15.059 -5.551 1.00 0.00 C ATOM 0 H MET A 85 3.435 8.643 -4.466 1.00 0.00 H new ATOM 0 HA MET A 85 5.456 10.633 -3.737 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.727 10.498 -5.841 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.726 11.404 -4.724 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.619 12.239 -5.045 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.496 12.650 -6.325 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.683 16.009 -5.146 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.064 15.163 -5.883 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.405 14.774 -6.397 1.00 0.00 H new ATOM 1312 N LYS A 86 2.397 10.680 -2.420 1.00 0.00 N ATOM 1313 CA LYS A 86 1.638 11.057 -1.226 1.00 0.00 C ATOM 1314 C LYS A 86 1.688 9.932 -0.189 1.00 0.00 C ATOM 1315 O LYS A 86 0.982 8.925 -0.303 1.00 0.00 O ATOM 1316 CB LYS A 86 0.177 11.350 -1.590 1.00 0.00 C ATOM 1317 CG LYS A 86 -0.558 11.923 -0.373 1.00 0.00 C ATOM 1318 CD LYS A 86 -1.391 10.823 0.291 1.00 0.00 C ATOM 1319 CE LYS A 86 -2.666 11.429 0.885 1.00 0.00 C ATOM 1320 NZ LYS A 86 -3.747 11.429 -0.144 1.00 0.00 N ATOM 0 H LYS A 86 1.831 10.303 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 86 2.088 11.956 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.134 12.057 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.314 10.436 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.160 12.329 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.203 12.746 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.648 10.056 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.810 10.335 1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.981 10.856 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.473 12.447 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.253 12.337 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.329 11.295 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.413 10.655 0.052 1.00 0.00 H new ATOM 1334 N ASP A 87 2.537 10.121 0.822 1.00 0.00 N ATOM 1335 CA ASP A 87 2.693 9.128 1.888 1.00 0.00 C ATOM 1336 C ASP A 87 3.525 9.720 3.034 1.00 0.00 C ATOM 1337 O ASP A 87 4.498 9.119 3.499 1.00 0.00 O ATOM 1338 CB ASP A 87 3.380 7.866 1.336 1.00 0.00 C ATOM 1339 CG ASP A 87 3.025 6.635 2.179 1.00 0.00 C ATOM 1340 OD1 ASP A 87 2.902 6.767 3.388 1.00 0.00 O ATOM 1341 OD2 ASP A 87 2.889 5.570 1.598 1.00 0.00 O ATOM 0 H ASP A 87 3.125 10.948 0.926 1.00 0.00 H new ATOM 0 HA ASP A 87 1.708 8.856 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.075 7.704 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.461 8.008 1.331 1.00 0.00 H new ATOM 1346 N ASP A 88 3.127 10.917 3.477 1.00 0.00 N ATOM 1347 CA ASP A 88 3.829 11.605 4.564 1.00 0.00 C ATOM 1348 C ASP A 88 3.018 12.809 5.050 1.00 0.00 C ATOM 1349 O ASP A 88 2.635 12.881 6.220 1.00 0.00 O ATOM 1350 CB ASP A 88 5.211 12.083 4.097 1.00 0.00 C ATOM 1351 CG ASP A 88 6.036 12.525 5.303 1.00 0.00 C ATOM 1352 OD1 ASP A 88 6.638 11.669 5.930 1.00 0.00 O ATOM 1353 OD2 ASP A 88 6.054 13.713 5.582 1.00 0.00 O ATOM 0 H ASP A 88 2.327 11.427 3.102 1.00 0.00 H new ATOM 0 HA ASP A 88 3.951 10.898 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.724 11.281 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.103 12.910 3.395 1.00 0.00 H new ATOM 1358 N SER A 89 2.764 13.755 4.140 1.00 0.00 N ATOM 1359 CA SER A 89 2.000 14.954 4.485 1.00 0.00 C ATOM 1360 C SER A 89 0.499 14.697 4.338 1.00 0.00 C ATOM 1361 O SER A 89 0.077 14.337 3.248 1.00 0.00 O ATOM 1362 CB SER A 89 2.405 16.126 3.585 1.00 0.00 C ATOM 1363 OG SER A 89 2.249 17.346 4.300 1.00 0.00 O ATOM 1364 OXT SER A 89 -0.207 14.860 5.320 1.00 0.00 O ATOM 0 H SER A 89 3.073 13.713 3.169 1.00 0.00 H new ATOM 0 HA SER A 89 2.220 15.205 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.440 16.010 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.790 16.138 2.685 1.00 0.00 H new ATOM 0 HG SER A 89 2.509 18.097 3.727 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.397 -7.968 -4.375 1.00 0.00 CA