USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 896 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: C 13 THR OG1 : rot 180:sc= -0.367 USER MOD Set 1.2: C 16 GLN : amide:sc= -0.794 K(o=-1.2,f=-2.1) USER MOD Set 2.1: C 1 MET N :NH3+ -160:sc= -0.142 (180deg=-0.763) USER MOD Set 2.2: C 86 LYS NZ :NH3+ 173:sc= -0.514 (180deg=-0.657) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 5 TYR OH : rot 30:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.273 K(o=-0.27,f=-3.4!) USER MOD Single : C 17 LYS NZ :NH3+ 152:sc= -0.0233 (180deg=-0.227) USER MOD Single : C 18 ASN : amide:sc= -0.203 K(o=-0.2,f=-2!) USER MOD Single : C 21 LYS NZ :NH3+ -164:sc=-0.00665 (180deg=-0.251) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.136 USER MOD Single : C 37 SER OG : rot 180:sc= 0.00814 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00303) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -166:sc= 0 (180deg=-0.0771) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 51 ASN : amide:sc= 0.613 K(o=0.61,f=-0.27) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0516 USER MOD Single : C 58 GLN : amide:sc= -0.578 K(o=-0.58,f=-3.3!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl -116:sc= -0.0329 (180deg=-0.425) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 82:sc= 0.516 USER MOD Single : C 85 MET CE :methyl 177:sc= 0 (180deg=-0.00635) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.9!) USER MOD Single : I 162 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-1.3) USER MOD Single : I 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 165 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 24.390 5.435 -2.775 1.00 0.00 N ATOM 2 CA MET C 1 22.975 4.969 -2.805 1.00 0.00 C ATOM 3 C MET C 1 22.435 4.898 -1.381 1.00 0.00 C ATOM 4 O MET C 1 23.199 4.806 -0.421 1.00 0.00 O ATOM 5 CB MET C 1 22.908 3.589 -3.463 1.00 0.00 C ATOM 6 CG MET C 1 23.718 3.602 -4.760 1.00 0.00 C ATOM 7 SD MET C 1 23.598 1.984 -5.562 1.00 0.00 S ATOM 8 CE MET C 1 24.801 2.293 -6.877 1.00 0.00 C ATOM 0 H1 MET C 1 24.653 5.806 -3.710 1.00 0.00 H new ATOM 0 H2 MET C 1 24.493 6.186 -2.063 1.00 0.00 H new ATOM 0 H3 MET C 1 25.013 4.639 -2.530 1.00 0.00 H new ATOM 0 HA MET C 1 22.369 5.668 -3.381 1.00 0.00 H new ATOM 0 HB2 MET C 1 23.300 2.832 -2.784 1.00 0.00 H new ATOM 0 HB3 MET C 1 21.872 3.324 -3.672 1.00 0.00 H new ATOM 0 HG2 MET C 1 23.344 4.379 -5.427 1.00 0.00 H new ATOM 0 HG3 MET C 1 24.761 3.838 -4.548 1.00 0.00 H new ATOM 0 HE1 MET C 1 24.888 1.407 -7.506 1.00 0.00 H new ATOM 0 HE2 MET C 1 24.470 3.137 -7.482 1.00 0.00 H new ATOM 0 HE3 MET C 1 25.771 2.522 -6.436 1.00 0.00 H new ATOM 20 N ASP C 2 21.114 4.951 -1.251 1.00 0.00 N ATOM 21 CA ASP C 2 20.486 4.898 0.064 1.00 0.00 C ATOM 22 C ASP C 2 20.776 3.572 0.758 1.00 0.00 C ATOM 23 O ASP C 2 21.152 3.548 1.933 1.00 0.00 O ATOM 24 CB ASP C 2 18.973 5.090 -0.077 1.00 0.00 C ATOM 25 CG ASP C 2 18.455 4.311 -1.284 1.00 0.00 C ATOM 26 OD1 ASP C 2 18.893 3.194 -1.480 1.00 0.00 O ATOM 27 OD2 ASP C 2 17.636 4.853 -2.002 1.00 0.00 O1- ATOM 0 H ASP C 2 20.463 5.030 -2.032 1.00 0.00 H new ATOM 0 HA ASP C 2 20.902 5.700 0.674 1.00 0.00 H new ATOM 0 HB2 ASP C 2 18.470 4.750 0.828 1.00 0.00 H new ATOM 0 HB3 ASP C 2 18.742 6.149 -0.192 1.00 0.00 H new ATOM 32 N ASP C 3 20.599 2.476 0.029 1.00 0.00 N ATOM 33 CA ASP C 3 20.842 1.152 0.587 1.00 0.00 C ATOM 34 C ASP C 3 22.297 1.011 1.011 1.00 0.00 C ATOM 35 O ASP C 3 22.594 0.477 2.079 1.00 0.00 O ATOM 36 CB ASP C 3 20.504 0.084 -0.454 1.00 0.00 C ATOM 37 CG ASP C 3 18.994 0.006 -0.656 1.00 0.00 C ATOM 38 OD1 ASP C 3 18.276 0.505 0.194 1.00 0.00 O ATOM 39 OD2 ASP C 3 18.578 -0.545 -1.662 1.00 0.00 O1- ATOM 0 H ASP C 3 20.290 2.478 -0.943 1.00 0.00 H new ATOM 0 HA ASP C 3 20.208 1.021 1.464 1.00 0.00 H new ATOM 0 HB2 ASP C 3 20.993 0.319 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP C 3 20.886 -0.884 -0.130 1.00 0.00 H new ATOM 44 N ILE C 4 23.200 1.511 0.180 1.00 0.00 N ATOM 45 CA ILE C 4 24.621 1.458 0.484 1.00 0.00 C ATOM 46 C ILE C 4 24.944 2.338 1.686 1.00 0.00 C ATOM 47 O ILE C 4 25.783 1.993 2.508 1.00 0.00 O ATOM 48 CB ILE C 4 25.442 1.905 -0.727 1.00 0.00 C ATOM 49 CG1 ILE C 4 25.312 0.866 -1.844 1.00 0.00 C ATOM 50 CG2 ILE C 4 26.916 2.043 -0.331 1.00 0.00 C ATOM 51 CD1 ILE C 4 26.343 -0.250 -1.643 1.00 0.00 C ATOM 0 H ILE C 4 22.974 1.957 -0.709 1.00 0.00 H new ATOM 0 HA ILE C 4 24.881 0.427 0.725 1.00 0.00 H new ATOM 0 HB ILE C 4 25.070 2.868 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE C 4 24.306 0.447 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE C 4 25.462 1.341 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE C 4 27.497 2.362 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE C 4 27.012 2.784 0.463 1.00 0.00 H new ATOM 0 HG23 ILE C 4 27.289 1.082 0.023 1.00 0.00 H new ATOM 0 HD11 ILE C 4 26.244 -0.985 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE C 4 27.347 0.174 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE C 4 26.172 -0.734 -0.681 1.00 0.00 H new ATOM 63 N TYR C 5 24.294 3.493 1.757 1.00 0.00 N ATOM 64 CA TYR C 5 24.552 4.440 2.841 1.00 0.00 C ATOM 65 C TYR C 5 24.389 3.744 4.192 1.00 0.00 C ATOM 66 O TYR C 5 25.301 3.762 5.028 1.00 0.00 O ATOM 67 CB TYR C 5 23.556 5.603 2.752 1.00 0.00 C ATOM 68 CG TYR C 5 24.024 6.734 3.634 1.00 0.00 C ATOM 69 CD1 TYR C 5 23.697 6.748 4.993 1.00 0.00 C ATOM 70 CD2 TYR C 5 24.798 7.764 3.089 1.00 0.00 C ATOM 71 CE1 TYR C 5 24.137 7.798 5.807 1.00 0.00 C ATOM 72 CE2 TYR C 5 25.237 8.812 3.901 1.00 0.00 C ATOM 73 CZ TYR C 5 24.911 8.830 5.262 1.00 0.00 C ATOM 74 OH TYR C 5 25.346 9.866 6.065 1.00 0.00 O ATOM 0 H TYR C 5 23.590 3.797 1.085 1.00 0.00 H new ATOM 0 HA TYR C 5 25.571 4.817 2.749 1.00 0.00 H new ATOM 0 HB2 TYR C 5 23.470 5.944 1.720 1.00 0.00 H new ATOM 0 HB3 TYR C 5 22.565 5.272 3.062 1.00 0.00 H new ATOM 0 HD1 TYR C 5 23.105 5.949 5.415 1.00 0.00 H new ATOM 0 HD2 TYR C 5 25.056 7.749 2.040 1.00 0.00 H new ATOM 0 HE1 TYR C 5 23.880 7.812 6.856 1.00 0.00 H new ATOM 0 HE2 TYR C 5 25.829 9.610 3.478 1.00 0.00 H new ATOM 0 HH TYR C 5 25.467 9.541 6.981 1.00 0.00 H new ATOM 84 N LYS C 6 23.245 3.093 4.390 1.00 0.00 N ATOM 85 CA LYS C 6 22.999 2.367 5.631 1.00 0.00 C ATOM 86 C LYS C 6 24.007 1.233 5.796 1.00 0.00 C ATOM 87 O LYS C 6 24.562 1.030 6.876 1.00 0.00 O ATOM 88 CB LYS C 6 21.580 1.805 5.630 1.00 0.00 C ATOM 89 CG LYS C 6 21.323 1.075 6.949 1.00 0.00 C ATOM 90 CD LYS C 6 19.845 0.693 7.045 1.00 0.00 C ATOM 91 CE LYS C 6 19.575 0.019 8.391 1.00 0.00 C ATOM 92 NZ LYS C 6 18.122 -0.291 8.509 1.00 0.00 N1+ ATOM 0 H LYS C 6 22.482 3.054 3.714 1.00 0.00 H new ATOM 0 HA LYS C 6 23.112 3.057 6.467 1.00 0.00 H new ATOM 0 HB2 LYS C 6 20.858 2.611 5.501 1.00 0.00 H new ATOM 0 HB3 LYS C 6 21.448 1.121 4.791 1.00 0.00 H new ATOM 0 HG2 LYS C 6 21.944 0.182 7.009 1.00 0.00 H new ATOM 0 HG3 LYS C 6 21.600 1.712 7.789 1.00 0.00 H new ATOM 0 HD2 LYS C 6 19.222 1.581 6.940 1.00 0.00 H new ATOM 0 HD3 LYS C 6 19.579 0.020 6.230 1.00 0.00 H new ATOM 0 HE2 LYS C 6 20.161 -0.896 8.476 1.00 0.00 H new ATOM 0 HE3 LYS C 6 19.886 0.673 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 17.938 -0.749 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 17.573 0.590 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 17.840 -0.930 7.739 1.00 0.00 H new ATOM 106 N ALA C 7 24.245 0.503 4.714 1.00 0.00 N ATOM 107 CA ALA C 7 25.196 -0.600 4.738 1.00 0.00 C ATOM 108 C ALA C 7 26.594 -0.083 5.059 1.00 0.00 C ATOM 109 O ALA C 7 27.362 -0.741 5.743 1.00 0.00 O ATOM 110 CB ALA C 7 25.210 -1.316 3.385 1.00 0.00 C ATOM 0 H ALA C 7 23.794 0.654 3.812 1.00 0.00 H new ATOM 0 HA ALA C 7 24.890 -1.305 5.511 1.00 0.00 H new ATOM 0 HB1 ALA C 7 25.925 -2.138 3.416 1.00 0.00 H new ATOM 0 HB2 ALA C 7 24.216 -1.707 3.170 1.00 0.00 H new ATOM 0 HB3 ALA C 7 25.500 -0.613 2.604 1.00 0.00 H new ATOM 116 N ALA C 8 26.916 1.102 4.560 1.00 0.00 N ATOM 117 CA ALA C 8 28.235 1.685 4.791 1.00 0.00 C ATOM 118 C ALA C 8 28.483 1.866 6.280 1.00 0.00 C ATOM 119 O ALA C 8 29.576 1.589 6.775 1.00 0.00 O ATOM 120 CB ALA C 8 28.336 3.038 4.085 1.00 0.00 C ATOM 0 H ALA C 8 26.289 1.677 3.997 1.00 0.00 H new ATOM 0 HA ALA C 8 28.989 1.009 4.389 1.00 0.00 H new ATOM 0 HB1 ALA C 8 29.322 3.468 4.261 1.00 0.00 H new ATOM 0 HB2 ALA C 8 28.186 2.902 3.014 1.00 0.00 H new ATOM 0 HB3 ALA C 8 27.572 3.710 4.476 1.00 0.00 H new ATOM 126 N VAL C 9 27.457 2.320 6.993 1.00 0.00 N ATOM 127 CA VAL C 9 27.575 2.516 8.435 1.00 0.00 C ATOM 128 C VAL C 9 27.823 1.189 9.148 1.00 0.00 C ATOM 129 O VAL C 9 28.699 1.086 10.006 1.00 0.00 O ATOM 130 CB VAL C 9 26.299 3.156 8.972 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.331 3.147 10.507 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.205 4.602 8.481 1.00 0.00 C ATOM 0 H VAL C 9 26.545 2.557 6.603 1.00 0.00 H new ATOM 0 HA VAL C 9 28.424 3.173 8.625 1.00 0.00 H new ATOM 0 HB VAL C 9 25.436 2.593 8.618 1.00 0.00 H new ATOM 0 HG11 VAL C 9 25.420 3.604 10.893 1.00 0.00 H new ATOM 0 HG12 VAL C 9 26.400 2.119 10.863 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.196 3.711 10.856 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.293 5.058 8.865 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.069 5.164 8.836 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.186 4.616 7.391 1.00 0.00 H new ATOM 142 N GLU C 10 27.039 0.179 8.789 1.00 0.00 N ATOM 143 CA GLU C 10 27.172 -1.140 9.392 1.00 0.00 C ATOM 144 C GLU C 10 28.443 -1.835 8.919 1.00 0.00 C ATOM 145 O GLU C 10 29.086 -2.560 9.677 1.00 0.00 O ATOM 146 CB GLU C 10 25.952 -1.999 9.056 1.00 0.00 C ATOM 147 CG GLU C 10 26.062 -3.344 9.776 1.00 0.00 C ATOM 148 CD GLU C 10 24.800 -4.166 9.543 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.079 -3.857 8.608 1.00 0.00 O ATOM 150 OE2 GLU C 10 24.562 -5.083 10.313 1.00 0.00 O1- ATOM 0 H GLU C 10 26.305 0.249 8.084 1.00 0.00 H new ATOM 0 HA GLU C 10 27.235 -1.012 10.473 1.00 0.00 H new ATOM 0 HB2 GLU C 10 25.039 -1.486 9.358 1.00 0.00 H new ATOM 0 HB3 GLU C 10 25.889 -2.155 7.979 1.00 0.00 H new ATOM 0 HG2 GLU C 10 26.933 -3.890 9.413 1.00 0.00 H new ATOM 0 HG3 GLU C 10 26.209 -3.183 10.844 1.00 0.00 H new ATOM 157 N GLN C 11 28.786 -1.619 7.655 1.00 0.00 N ATOM 158 CA GLN C 11 29.970 -2.242 7.079 1.00 0.00 C ATOM 159 C GLN C 11 31.231 -1.772 7.784 1.00 0.00 C ATOM 160 O GLN C 11 32.146 -2.561 8.020 1.00 0.00 O ATOM 161 CB GLN C 11 30.062 -1.916 5.586 1.00 0.00 C ATOM 162 CG GLN C 11 29.070 -2.779 4.801 1.00 0.00 C ATOM 163 CD GLN C 11 28.878 -2.208 3.399 1.00 0.00 C ATOM 164 OE1 GLN C 11 29.308 -1.088 3.118 1.00 0.00 O ATOM 165 NE2 GLN C 11 28.250 -2.913 2.498 1.00 0.00 N ATOM 0 H GLN C 11 28.265 -1.021 7.013 1.00 0.00 H new ATOM 0 HA GLN C 11 29.882 -3.320 7.210 1.00 0.00 H new ATOM 0 HB2 GLN C 11 29.848 -0.860 5.422 1.00 0.00 H new ATOM 0 HB3 GLN C 11 31.076 -2.095 5.228 1.00 0.00 H new ATOM 0 HG2 GLN C 11 29.437 -3.804 4.738 1.00 0.00 H new ATOM 0 HG3 GLN C 11 28.114 -2.814 5.323 1.00 0.00 H new ATOM 0 HE21 GLN C 11 27.895 -3.840 2.732 1.00 0.00 H new ATOM 0 HE22 GLN C 11 28.115 -2.537 1.560 1.00 0.00 H new ATOM 174 N LEU C 12 31.273 -0.488 8.124 1.00 0.00 N ATOM 175 CA LEU C 12 32.435 0.064 8.801 1.00 0.00 C ATOM 176 C LEU C 12 32.917 -0.879 9.898 1.00 0.00 C ATOM 177 O LEU C 12 32.127 -1.366 10.704 1.00 0.00 O ATOM 178 CB LEU C 12 32.074 1.421 9.410 1.00 0.00 C ATOM 179 CG LEU C 12 32.282 2.522 8.368 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.425 3.737 8.724 1.00 0.00 C ATOM 181 CD2 LEU C 12 33.757 2.936 8.357 1.00 0.00 C ATOM 0 H LEU C 12 30.524 0.181 7.944 1.00 0.00 H new ATOM 0 HA LEU C 12 33.237 0.188 8.074 1.00 0.00 H new ATOM 0 HB2 LEU C 12 31.037 1.416 9.747 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.693 1.614 10.286 1.00 0.00 H new ATOM 0 HG LEU C 12 31.994 2.148 7.386 1.00 0.00 H new ATOM 0 HD11 LEU C 12 31.576 4.519 7.980 1.00 0.00 H new ATOM 0 HD12 LEU C 12 30.374 3.449 8.740 1.00 0.00 H new ATOM 0 HD13 LEU C 12 31.714 4.111 9.706 1.00 0.00 H new ATOM 0 HD21 LEU C 12 33.909 3.720 7.616 1.00 0.00 H new ATOM 0 HD22 LEU C 12 34.038 3.308 9.342 1.00 0.00 H new ATOM 0 HD23 LEU C 12 34.375 2.074 8.105 1.00 0.00 H new ATOM 193 N THR C 13 34.222 -1.132 9.917 1.00 0.00 N ATOM 194 CA THR C 13 34.804 -2.020 10.910 1.00 0.00 C ATOM 195 C THR C 13 34.777 -1.377 12.290 1.00 0.00 C ATOM 196 O THR C 13 34.556 -0.175 12.422 1.00 0.00 O ATOM 197 CB THR C 13 36.247 -2.357 10.530 1.00 0.00 C ATOM 198 OG1 THR C 13 37.012 -1.162 10.478 1.00 0.00 O ATOM 199 CG2 THR C 13 36.276 -3.042 9.168 1.00 0.00 C ATOM 0 H THR C 13 34.892 -0.735 9.258 1.00 0.00 H new ATOM 0 HA THR C 13 34.213 -2.935 10.938 1.00 0.00 H new ATOM 0 HB THR C 13 36.670 -3.029 11.277 1.00 0.00 H new ATOM 0 HG1 THR C 13 37.937 -1.376 10.236 1.00 0.00 H new ATOM 0 HG21 THR C 13 37.306 -3.280 8.902 1.00 0.00 H new ATOM 0 HG22 THR C 13 35.691 -3.961 9.210 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.852 -2.376 8.417 1.00 0.00 H new ATOM 207 N GLU C 14 34.998 -2.190 13.316 1.00 0.00 N ATOM 208 CA GLU C 14 34.998 -1.692 14.686 1.00 0.00 C ATOM 209 C GLU C 14 36.126 -0.687 14.889 1.00 0.00 C ATOM 210 O GLU C 14 35.969 0.304 15.602 1.00 0.00 O ATOM 211 CB GLU C 14 35.153 -2.854 15.669 1.00 0.00 C ATOM 212 CG GLU C 14 33.896 -3.728 15.633 1.00 0.00 C ATOM 213 CD GLU C 14 34.064 -4.920 16.568 1.00 0.00 C ATOM 214 OE1 GLU C 14 35.085 -4.988 17.233 1.00 0.00 O ATOM 215 OE2 GLU C 14 33.175 -5.755 16.597 1.00 0.00 O1- ATOM 0 H GLU C 14 35.178 -3.190 13.227 1.00 0.00 H new ATOM 0 HA GLU C 14 34.047 -1.193 14.872 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.029 -3.448 15.410 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.314 -2.472 16.677 1.00 0.00 H new ATOM 0 HG2 GLU C 14 33.027 -3.142 15.930 1.00 0.00 H new ATOM 0 HG3 GLU C 14 33.714 -4.076 14.616 1.00 0.00 H new ATOM 222 N GLU C 15 37.262 -0.955 14.265 1.00 0.00 N ATOM 223 CA GLU C 15 38.420 -0.072 14.389 1.00 0.00 C ATOM 224 C GLU C 15 38.095 1.309 13.835 1.00 0.00 C ATOM 225 O GLU C 15 38.404 2.325 14.461 1.00 0.00 O ATOM 226 CB GLU C 15 39.613 -0.665 13.634 1.00 0.00 C ATOM 227 CG GLU C 15 40.846 0.205 13.863 1.00 0.00 C ATOM 228 CD GLU C 15 42.061 -0.417 13.185 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.885 -1.401 12.486 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.153 0.093 13.383 1.00 0.00 O1- ATOM 0 H GLU C 15 37.411 -1.770 13.670 1.00 0.00 H new ATOM 0 HA GLU C 15 38.674 0.023 15.445 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.804 -1.682 13.976 1.00 0.00 H new ATOM 0 HB3 GLU C 15 39.390 -0.724 12.569 1.00 0.00 H new ATOM 0 HG2 GLU C 15 40.672 1.206 13.468 1.00 0.00 H new ATOM 0 HG3 GLU C 15 41.032 0.312 14.932 1.00 0.00 H new ATOM 237 N GLN C 16 37.456 1.339 12.669 1.00 0.00 N ATOM 238 CA GLN C 16 37.078 2.609 12.055 1.00 0.00 C ATOM 239 C GLN C 16 36.066 3.344 12.929 1.00 0.00 C ATOM 240 O GLN C 16 36.151 4.559 13.111 1.00 0.00 O ATOM 241 CB GLN C 16 36.477 2.362 10.671 1.00 0.00 C ATOM 242 CG GLN C 16 37.574 1.887 9.716 1.00 0.00 C ATOM 243 CD GLN C 16 37.004 1.710 8.314 1.00 0.00 C ATOM 244 OE1 GLN C 16 36.620 2.686 7.670 1.00 0.00 O ATOM 245 NE2 GLN C 16 36.911 0.512 7.804 1.00 0.00 N ATOM 0 H GLN C 16 37.192 0.511 12.136 1.00 0.00 H new ATOM 0 HA GLN C 16 37.972 3.225 11.956 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.686 1.614 10.734 1.00 0.00 H new ATOM 0 HB3 GLN C 16 36.021 3.277 10.292 1.00 0.00 H new ATOM 0 HG2 GLN C 16 38.389 2.610 9.697 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.992 0.944 10.069 1.00 0.00 H new ATOM 0 HE21 GLN C 16 37.230 -0.296 8.339 1.00 0.00 H new ATOM 0 HE22 GLN C 16 36.520 0.384 6.871 1.00 0.00 H new ATOM 254 N LYS C 17 35.116 2.597 13.481 1.00 0.00 N ATOM 255 CA LYS C 17 34.103 3.187 14.351 1.00 0.00 C ATOM 256 C LYS C 17 34.739 3.764 15.600 1.00 0.00 C ATOM 257 O LYS C 17 34.346 4.839 16.063 1.00 0.00 O ATOM 258 CB LYS C 17 33.065 2.129 14.733 1.00 0.00 C ATOM 259 CG LYS C 17 32.193 1.781 13.516 1.00 0.00 C ATOM 260 CD LYS C 17 30.734 1.670 13.955 1.00 0.00 C ATOM 261 CE LYS C 17 30.204 3.057 14.341 1.00 0.00 C ATOM 262 NZ LYS C 17 29.815 3.058 15.778 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.025 1.590 13.344 1.00 0.00 H new ATOM 0 HA LYS C 17 33.611 3.995 13.811 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.566 1.233 15.100 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.439 2.499 15.545 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.296 2.548 12.749 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.524 0.841 13.074 1.00 0.00 H new ATOM 0 HD2 LYS C 17 30.132 1.252 13.148 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.650 0.989 14.802 1.00 0.00 H new ATOM 0 HE2 LYS C 17 30.968 3.813 14.160 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.346 3.316 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 29.913 4.019 16.164 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 28.827 2.747 15.870 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.433 2.409 16.305 1.00 0.00 H new ATOM 276 N ASN C 18 35.723 3.055 16.139 1.00 0.00 N ATOM 277 CA ASN C 18 36.401 3.517 17.337 1.00 0.00 C ATOM 278 C ASN C 18 37.106 4.845 17.077 1.00 0.00 C ATOM 279 O ASN C 18 37.102 5.740 17.924 1.00 0.00 O ATOM 280 CB ASN C 18 37.427 2.473 17.790 1.00 0.00 C ATOM 281 CG ASN C 18 36.714 1.246 18.346 1.00 0.00 C ATOM 282 OD1 ASN C 18 35.546 1.326 18.725 1.00 0.00 O ATOM 283 ND2 ASN C 18 37.350 0.109 18.417 1.00 0.00 N ATOM 0 H ASN C 18 36.064 2.168 15.769 1.00 0.00 H new ATOM 0 HA ASN C 18 35.657 3.662 18.120 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.060 2.186 16.951 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.080 2.900 18.551 1.00 0.00 H new ATOM 0 HD21 ASN C 18 36.879 -0.717 18.787 1.00 0.00 H new ATOM 0 HD22 ASN C 18 38.318 0.046 18.102 1.00 0.00 H new ATOM 290 N GLU C 19 37.712 4.963 15.899 1.00 0.00 N ATOM 291 CA GLU C 19 38.416 6.193 15.540 1.00 0.00 C ATOM 292 C GLU C 19 37.452 7.379 15.511 1.00 0.00 C ATOM 293 O GLU C 19 37.755 8.458 16.035 1.00 0.00 O ATOM 294 CB GLU C 19 39.065 6.032 14.163 1.00 0.00 C ATOM 295 CG GLU C 19 40.245 5.064 14.263 1.00 0.00 C ATOM 296 CD GLU C 19 40.775 4.742 12.869 1.00 0.00 C ATOM 297 OE1 GLU C 19 40.095 5.065 11.909 1.00 0.00 O ATOM 298 OE2 GLU C 19 41.853 4.178 12.783 1.00 0.00 O1- ATOM 0 H GLU C 19 37.731 4.235 15.185 1.00 0.00 H new ATOM 0 HA GLU C 19 39.183 6.383 16.290 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.334 5.657 13.447 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.405 7.000 13.795 1.00 0.00 H new ATOM 0 HG2 GLU C 19 41.037 5.504 14.869 1.00 0.00 H new ATOM 0 HG3 GLU C 19 39.933 4.147 14.763 1.00 0.00 H new ATOM 305 N PHE C 20 36.282 7.167 14.918 1.00 0.00 N ATOM 306 CA PHE C 20 35.276 8.220 14.843 1.00 0.00 C ATOM 307 C PHE C 20 34.758 8.565 16.237 1.00 0.00 C ATOM 308 O PHE C 20 34.524 9.731 16.553 1.00 0.00 O ATOM 309 CB PHE C 20 34.114 7.777 13.954 1.00 0.00 C ATOM 310 CG PHE C 20 34.501 7.930 12.501 1.00 0.00 C ATOM 311 CD1 PHE C 20 34.742 9.205 11.973 1.00 0.00 C ATOM 312 CD2 PHE C 20 34.623 6.800 11.683 1.00 0.00 C ATOM 313 CE1 PHE C 20 35.102 9.348 10.629 1.00 0.00 C ATOM 314 CE2 PHE C 20 34.981 6.945 10.339 1.00 0.00 C ATOM 315 CZ PHE C 20 35.222 8.219 9.812 1.00 0.00 C ATOM 0 H PHE C 20 36.008 6.284 14.486 1.00 0.00 H new ATOM 0 HA PHE C 20 35.738 9.107 14.411 1.00 0.00 H new ATOM 0 HB2 PHE C 20 33.857 6.739 14.165 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.229 8.375 14.170 1.00 0.00 H new ATOM 0 HD1 PHE C 20 34.650 10.077 12.603 1.00 0.00 H new ATOM 0 HD2 PHE C 20 34.441 5.816 12.090 1.00 0.00 H new ATOM 0 HE1 PHE C 20 35.287 10.331 10.222 1.00 0.00 H new ATOM 0 HE2 PHE C 20 35.072 6.074 9.707 1.00 0.00 H new ATOM 0 HZ PHE C 20 35.501 8.330 8.775 1.00 0.00 H new ATOM 325 N LYS C 21 34.586 7.543 17.066 1.00 0.00 N ATOM 326 CA LYS C 21 34.099 7.745 18.426 1.00 0.00 C ATOM 327 C LYS C 21 35.059 8.642 19.200 1.00 0.00 C ATOM 328 O LYS C 21 34.635 9.535 19.934 1.00 0.00 O ATOM 329 CB LYS C 21 33.954 6.399 19.137 1.00 0.00 C ATOM 330 CG LYS C 21 33.365 6.620 20.531 1.00 0.00 C ATOM 331 CD LYS C 21 32.845 5.290 21.080 1.00 0.00 C ATOM 332 CE LYS C 21 32.285 5.502 22.487 1.00 0.00 C ATOM 333 NZ LYS C 21 33.408 5.754 23.433 1.00 0.00 N1+ ATOM 0 H LYS C 21 34.775 6.571 16.823 1.00 0.00 H new ATOM 0 HA LYS C 21 33.123 8.229 18.381 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.309 5.738 18.559 1.00 0.00 H new ATOM 0 HB3 LYS C 21 34.925 5.910 19.214 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.124 7.029 21.198 1.00 0.00 H new ATOM 0 HG3 LYS C 21 32.555 7.348 20.484 1.00 0.00 H new ATOM 0 HD2 LYS C 21 32.070 4.892 20.425 1.00 0.00 H new ATOM 0 HD3 LYS C 21 33.650 4.555 21.104 1.00 0.00 H new ATOM 0 HE2 LYS C 21 31.594 6.345 22.492 1.00 0.00 H new ATOM 0 HE3 LYS C 21 31.720 4.625 22.802 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 33.074 5.630 24.410 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 34.179 5.083 23.243 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 33.756 6.726 23.307 1.00 0.00 H new ATOM 347 N ALA C 22 36.356 8.406 19.026 1.00 0.00 N ATOM 348 CA ALA C 22 37.367 9.208 19.709 1.00 0.00 C ATOM 349 C ALA C 22 37.243 10.673 19.298 1.00 0.00 C ATOM 350 O ALA C 22 37.354 11.574 20.131 1.00 0.00 O ATOM 351 CB ALA C 22 38.763 8.695 19.355 1.00 0.00 C ATOM 0 H ALA C 22 36.730 7.673 18.424 1.00 0.00 H new ATOM 0 HA ALA C 22 37.212 9.125 20.785 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.513 9.297 19.868 1.00 0.00 H new ATOM 0 HB2 ALA C 22 38.858 7.655 19.667 1.00 0.00 H new ATOM 0 HB3 ALA C 22 38.915 8.766 18.278 1.00 0.00 H new ATOM 357 N ALA C 23 36.998 10.904 18.011 1.00 0.00 N ATOM 358 CA ALA C 23 36.842 12.266 17.505 1.00 0.00 C ATOM 359 C ALA C 23 35.648 12.948 18.170 1.00 0.00 C ATOM 360 O ALA C 23 35.693 14.136 18.484 1.00 0.00 O ATOM 361 CB ALA C 23 36.645 12.244 15.990 1.00 0.00 C ATOM 0 H ALA C 23 36.904 10.174 17.305 1.00 0.00 H new ATOM 0 HA ALA C 23 37.746 12.828 17.741 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.530 13.264 15.623 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.513 11.784 15.517 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.752 11.668 15.748 1.00 0.00 H new ATOM 367 N PHE C 24 34.580 12.186 18.380 1.00 0.00 N ATOM 368 CA PHE C 24 33.376 12.725 19.005 1.00 0.00 C ATOM 369 C PHE C 24 33.705 13.284 20.387 1.00 0.00 C ATOM 370 O PHE C 24 33.288 14.391 20.734 1.00 0.00 O ATOM 371 CB PHE C 24 32.315 11.632 19.132 1.00 0.00 C ATOM 372 CG PHE C 24 31.081 12.198 19.791 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.161 12.934 19.036 1.00 0.00 C ATOM 374 CD2 PHE C 24 30.860 11.990 21.158 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.017 13.461 19.647 1.00 0.00 C ATOM 376 CE2 PHE C 24 29.716 12.517 21.768 1.00 0.00 C ATOM 377 CZ PHE C 24 28.795 13.253 21.014 1.00 0.00 C ATOM 0 H PHE C 24 34.522 11.199 18.129 1.00 0.00 H new ATOM 0 HA PHE C 24 32.989 13.528 18.378 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.065 11.238 18.147 1.00 0.00 H new ATOM 0 HB3 PHE C 24 32.704 10.800 19.719 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.333 13.095 17.982 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.571 11.424 21.741 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.306 14.028 19.064 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.544 12.356 22.822 1.00 0.00 H new ATOM 0 HZ PHE C 24 27.913 13.660 21.486 1.00 0.00 H new ATOM 387 N ASP C 25 34.456 12.515 21.171 1.00 0.00 N ATOM 388 CA ASP C 25 34.834 12.950 22.514 1.00 0.00 C ATOM 389 C ASP C 25 35.637 14.248 22.445 1.00 0.00 C ATOM 390 O ASP C 25 35.430 15.160 23.244 1.00 0.00 O ATOM 391 CB ASP C 25 35.675 11.867 23.190 1.00 0.00 C ATOM 392 CG ASP C 25 34.798 10.669 23.541 1.00 0.00 C ATOM 393 OD1 ASP C 25 33.590 10.835 23.574 1.00 0.00 O ATOM 394 OD2 ASP C 25 35.347 9.602 23.759 1.00 0.00 O1- ATOM 0 H ASP C 25 34.812 11.597 20.904 1.00 0.00 H new ATOM 0 HA ASP C 25 33.927 13.124 23.093 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.482 11.555 22.527 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.139 12.265 24.092 1.00 0.00 H new ATOM 399 N ILE C 26 36.542 14.334 21.476 1.00 0.00 N ATOM 400 CA ILE C 26 37.350 15.528 21.293 1.00 0.00 C ATOM 401 C ILE C 26 36.482 16.681 20.793 1.00 0.00 C ATOM 402 O ILE C 26 36.689 17.836 21.149 1.00 0.00 O ATOM 403 CB ILE C 26 38.478 15.254 20.302 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.460 14.254 20.918 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.211 16.559 19.995 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.408 13.741 19.836 1.00 0.00 C ATOM 0 H ILE C 26 36.732 13.589 20.806 1.00 0.00 H new ATOM 0 HA ILE C 26 37.785 15.806 22.253 1.00 0.00 H new ATOM 0 HB ILE C 26 38.064 14.842 19.381 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.027 14.730 21.718 1.00 0.00 H new ATOM 0 HG13 ILE C 26 38.916 13.422 21.365 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.017 16.366 19.287 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.513 17.276 19.563 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.627 16.968 20.916 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.108 13.029 20.273 1.00 0.00 H new ATOM 0 HD12 ILE C 26 39.833 13.249 19.051 1.00 0.00 H new ATOM 0 HD13 ILE C 26 40.961 14.578 19.410 1.00 0.00 H new ATOM 418 N PHE C 27 35.528 16.364 19.927 1.00 0.00 N ATOM 419 CA PHE C 27 34.658 17.387 19.358 1.00 0.00 C ATOM 420 C PHE C 27 33.949 18.164 20.464 1.00 0.00 C ATOM 421 O PHE C 27 33.799 19.382 20.386 1.00 0.00 O ATOM 422 CB PHE C 27 33.613 16.731 18.452 1.00 0.00 C ATOM 423 CG PHE C 27 33.396 17.588 17.226 1.00 0.00 C ATOM 424 CD1 PHE C 27 32.936 18.903 17.359 1.00 0.00 C ATOM 425 CD2 PHE C 27 33.666 17.068 15.952 1.00 0.00 C ATOM 426 CE1 PHE C 27 32.741 19.697 16.223 1.00 0.00 C ATOM 427 CE2 PHE C 27 33.471 17.862 14.817 1.00 0.00 C ATOM 428 CZ PHE C 27 33.011 19.177 14.952 1.00 0.00 C ATOM 0 H PHE C 27 35.337 15.415 19.605 1.00 0.00 H new ATOM 0 HA PHE C 27 35.270 18.077 18.777 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.945 15.735 18.158 1.00 0.00 H new ATOM 0 HB3 PHE C 27 32.675 16.607 18.992 1.00 0.00 H new ATOM 0 HD1 PHE C 27 32.731 19.306 18.340 1.00 0.00 H new ATOM 0 HD2 PHE C 27 34.024 16.055 15.847 1.00 0.00 H new ATOM 0 HE1 PHE C 27 32.382 20.710 16.327 1.00 0.00 H new ATOM 0 HE2 PHE C 27 33.676 17.460 13.836 1.00 0.00 H new ATOM 0 HZ PHE C 27 32.864 19.790 14.075 1.00 0.00 H new ATOM 438 N VAL C 28 33.511 17.450 21.494 1.00 0.00 N ATOM 439 CA VAL C 28 32.811 18.082 22.609 1.00 0.00 C ATOM 440 C VAL C 28 33.796 18.692 23.600 1.00 0.00 C ATOM 441 O VAL C 28 33.474 18.879 24.771 1.00 0.00 O ATOM 442 CB VAL C 28 31.931 17.056 23.323 1.00 0.00 C ATOM 443 CG1 VAL C 28 30.852 16.550 22.362 1.00 0.00 C ATOM 444 CG2 VAL C 28 32.792 15.875 23.781 1.00 0.00 C ATOM 0 H VAL C 28 33.626 16.440 21.582 1.00 0.00 H new ATOM 0 HA VAL C 28 32.187 18.881 22.208 1.00 0.00 H new ATOM 0 HB VAL C 28 31.460 17.524 24.188 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.225 15.818 22.872 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.237 17.387 22.032 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.324 16.083 21.498 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.165 15.143 24.290 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.262 15.410 22.915 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.563 16.230 24.465 1.00 0.00 H new ATOM 454 N LEU C 29 34.995 18.991 23.122 1.00 0.00 N ATOM 455 CA LEU C 29 36.024 19.580 23.970 1.00 0.00 C ATOM 456 C LEU C 29 35.552 20.916 24.532 1.00 0.00 C ATOM 457 O LEU C 29 36.196 21.490 25.408 1.00 0.00 O ATOM 458 CB LEU C 29 37.316 19.779 23.173 1.00 0.00 C ATOM 459 CG LEU C 29 37.008 20.552 21.882 1.00 0.00 C ATOM 460 CD1 LEU C 29 36.823 22.041 22.196 1.00 0.00 C ATOM 461 CD2 LEU C 29 38.160 20.376 20.896 1.00 0.00 C ATOM 0 H LEU C 29 35.280 18.837 22.155 1.00 0.00 H new ATOM 0 HA LEU C 29 36.218 18.899 24.799 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.045 20.326 23.772 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.761 18.813 22.934 1.00 0.00 H new ATOM 0 HG LEU C 29 36.089 20.164 21.442 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.605 22.583 21.276 1.00 0.00 H new ATOM 0 HD12 LEU C 29 35.996 22.165 22.895 1.00 0.00 H new ATOM 0 HD13 LEU C 29 37.737 22.435 22.641 1.00 0.00 H new ATOM 0 HD21 LEU C 29 37.942 20.924 19.980 1.00 0.00 H new ATOM 0 HD22 LEU C 29 39.079 20.760 21.338 1.00 0.00 H new ATOM 0 HD23 LEU C 29 38.283 19.318 20.665 1.00 0.00 H new ATOM 473 N GLY C 30 34.431 21.409 24.010 1.00 0.00 N ATOM 474 CA GLY C 30 33.883 22.685 24.459 1.00 0.00 C ATOM 475 C GLY C 30 32.438 22.530 24.910 1.00 0.00 C ATOM 476 O GLY C 30 31.718 23.516 25.058 1.00 0.00 O ATOM 0 H GLY C 30 33.888 20.947 23.280 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.484 23.074 25.281 1.00 0.00 H new ATOM 0 HA3 GLY C 30 33.939 23.414 23.650 1.00 0.00 H new ATOM 480 N ALA C 31 32.021 21.284 25.123 1.00 0.00 N ATOM 481 CA ALA C 31 30.655 21.011 25.556 1.00 0.00 C ATOM 482 C ALA C 31 30.653 20.183 26.837 1.00 0.00 C ATOM 483 O ALA C 31 31.235 19.100 26.888 1.00 0.00 O ATOM 484 CB ALA C 31 29.902 20.255 24.459 1.00 0.00 C ATOM 0 H ALA C 31 32.604 20.455 25.004 1.00 0.00 H new ATOM 0 HA ALA C 31 30.159 21.962 25.751 1.00 0.00 H new ATOM 0 HB1 ALA C 31 28.883 20.055 24.789 1.00 0.00 H new ATOM 0 HB2 ALA C 31 29.877 20.859 23.552 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.409 19.312 24.253 1.00 0.00 H new ATOM 490 N GLU C 32 29.986 20.696 27.865 1.00 0.00 N ATOM 491 CA GLU C 32 29.906 19.991 29.139 1.00 0.00 C ATOM 492 C GLU C 32 28.742 19.009 29.135 1.00 0.00 C ATOM 493 O GLU C 32 28.649 18.136 29.999 1.00 0.00 O ATOM 494 CB GLU C 32 29.729 20.995 30.281 1.00 0.00 C ATOM 495 CG GLU C 32 30.951 21.915 30.355 1.00 0.00 C ATOM 496 CD GLU C 32 32.197 21.105 30.693 1.00 0.00 C ATOM 497 OE1 GLU C 32 32.092 20.209 31.515 1.00 0.00 O ATOM 498 OE2 GLU C 32 33.236 21.384 30.117 1.00 0.00 O1- ATOM 0 H GLU C 32 29.496 21.591 27.842 1.00 0.00 H new ATOM 0 HA GLU C 32 30.832 19.436 29.285 1.00 0.00 H new ATOM 0 HB2 GLU C 32 28.827 21.585 30.122 1.00 0.00 H new ATOM 0 HB3 GLU C 32 29.602 20.467 31.226 1.00 0.00 H new ATOM 0 HG2 GLU C 32 31.088 22.427 29.403 1.00 0.00 H new ATOM 0 HG3 GLU C 32 30.792 22.684 31.111 1.00 0.00 H new ATOM 505 N ASP C 33 27.859 19.156 28.158 1.00 0.00 N ATOM 506 CA ASP C 33 26.700 18.273 28.047 1.00 0.00 C ATOM 507 C ASP C 33 27.007 17.098 27.122 1.00 0.00 C ATOM 508 O ASP C 33 26.210 16.167 27.000 1.00 0.00 O ATOM 509 CB ASP C 33 25.498 19.051 27.506 1.00 0.00 C ATOM 510 CG ASP C 33 25.019 20.058 28.546 1.00 0.00 C ATOM 511 OD1 ASP C 33 25.377 19.902 29.702 1.00 0.00 O ATOM 512 OD2 ASP C 33 24.304 20.972 28.169 1.00 0.00 O1- ATOM 0 H ASP C 33 27.919 19.872 27.434 1.00 0.00 H new ATOM 0 HA ASP C 33 26.465 17.888 29.039 1.00 0.00 H new ATOM 0 HB2 ASP C 33 25.773 19.568 26.587 1.00 0.00 H new ATOM 0 HB3 ASP C 33 24.691 18.362 27.256 1.00 0.00 H new ATOM 517 N GLY C 34 28.165 17.150 26.472 1.00 0.00 N ATOM 518 CA GLY C 34 28.566 16.086 25.560 1.00 0.00 C ATOM 519 C GLY C 34 27.903 16.253 24.200 1.00 0.00 C ATOM 520 O GLY C 34 27.852 15.314 23.405 1.00 0.00 O ATOM 0 H GLY C 34 28.838 17.912 26.559 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.650 16.092 25.443 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.296 15.119 25.983 1.00 0.00 H new ATOM 524 N CYS C 35 27.393 17.453 23.943 1.00 0.00 N ATOM 525 CA CYS C 35 26.728 17.733 22.671 1.00 0.00 C ATOM 526 C CYS C 35 27.540 18.728 21.850 1.00 0.00 C ATOM 527 O CYS C 35 28.353 19.475 22.392 1.00 0.00 O ATOM 528 CB CYS C 35 25.332 18.305 22.928 1.00 0.00 C ATOM 529 SG CYS C 35 25.476 19.898 23.775 1.00 0.00 S ATOM 0 H CYS C 35 27.425 18.241 24.590 1.00 0.00 H new ATOM 0 HA CYS C 35 26.644 16.800 22.113 1.00 0.00 H new ATOM 0 HB2 CYS C 35 24.800 18.430 21.985 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.749 17.611 23.534 1.00 0.00 H new ATOM 0 HG CYS C 35 24.290 20.384 23.991 1.00 0.00 H new ATOM 535 N ILE C 36 27.314 18.733 20.539 1.00 0.00 N ATOM 536 CA ILE C 36 28.031 19.644 19.650 1.00 0.00 C ATOM 537 C ILE C 36 27.085 20.700 19.097 1.00 0.00 C ATOM 538 O ILE C 36 26.071 20.377 18.477 1.00 0.00 O ATOM 539 CB ILE C 36 28.649 18.859 18.496 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.647 17.835 19.044 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.370 19.822 17.548 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.035 16.850 17.936 1.00 0.00 C ATOM 0 H ILE C 36 26.645 18.121 20.071 1.00 0.00 H new ATOM 0 HA ILE C 36 28.819 20.138 20.219 1.00 0.00 H new ATOM 0 HB ILE C 36 27.861 18.338 17.952 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.535 18.343 19.420 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.207 17.298 19.884 1.00 0.00 H new ATOM 0 HG21 ILE C 36 29.811 19.260 16.725 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.657 20.546 17.153 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.156 20.347 18.091 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.745 16.122 18.328 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.144 16.332 17.581 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.492 17.394 17.109 1.00 0.00 H new ATOM 554 N SER C 37 27.426 21.965 19.326 1.00 0.00 N ATOM 555 CA SER C 37 26.604 23.073 18.851 1.00 0.00 C ATOM 556 C SER C 37 27.445 24.039 18.022 1.00 0.00 C ATOM 557 O SER C 37 28.557 23.709 17.606 1.00 0.00 O ATOM 558 CB SER C 37 25.988 23.818 20.032 1.00 0.00 C ATOM 559 OG SER C 37 26.986 24.610 20.659 1.00 0.00 O ATOM 0 H SER C 37 28.263 22.247 19.836 1.00 0.00 H new ATOM 0 HA SER C 37 25.807 22.667 18.228 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.168 24.449 19.691 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.569 23.109 20.746 1.00 0.00 H new ATOM 0 HG SER C 37 26.593 25.091 21.417 1.00 0.00 H new ATOM 565 N THR C 38 26.903 25.226 17.774 1.00 0.00 N ATOM 566 CA THR C 38 27.609 26.225 16.985 1.00 0.00 C ATOM 567 C THR C 38 28.880 26.665 17.705 1.00 0.00 C ATOM 568 O THR C 38 29.892 26.973 17.075 1.00 0.00 O ATOM 569 CB THR C 38 26.704 27.439 16.756 1.00 0.00 C ATOM 570 OG1 THR C 38 26.372 28.027 18.008 1.00 0.00 O ATOM 571 CG2 THR C 38 25.421 27.000 16.042 1.00 0.00 C ATOM 0 H THR C 38 25.984 25.517 18.106 1.00 0.00 H new ATOM 0 HA THR C 38 27.879 25.786 16.024 1.00 0.00 H new ATOM 0 HB THR C 38 27.229 28.168 16.139 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.794 28.805 17.861 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.780 27.866 15.881 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.674 26.552 15.081 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.895 26.269 16.656 1.00 0.00 H new ATOM 579 N LYS C 39 28.822 26.687 19.035 1.00 0.00 N ATOM 580 CA LYS C 39 29.978 27.087 19.828 1.00 0.00 C ATOM 581 C LYS C 39 31.129 26.104 19.634 1.00 0.00 C ATOM 582 O LYS C 39 32.287 26.505 19.515 1.00 0.00 O ATOM 583 CB LYS C 39 29.600 27.141 21.311 1.00 0.00 C ATOM 584 CG LYS C 39 28.615 28.287 21.546 1.00 0.00 C ATOM 585 CD LYS C 39 28.399 28.475 23.049 1.00 0.00 C ATOM 586 CE LYS C 39 27.389 29.599 23.285 1.00 0.00 C ATOM 587 NZ LYS C 39 26.008 29.074 23.091 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.997 26.436 19.579 1.00 0.00 H new ATOM 0 HA LYS C 39 30.297 28.075 19.496 1.00 0.00 H new ATOM 0 HB2 LYS C 39 29.154 26.195 21.618 1.00 0.00 H new ATOM 0 HB3 LYS C 39 30.493 27.284 21.920 1.00 0.00 H new ATOM 0 HG2 LYS C 39 28.999 29.207 21.105 1.00 0.00 H new ATOM 0 HG3 LYS C 39 27.666 28.071 21.056 1.00 0.00 H new ATOM 0 HD2 LYS C 39 28.037 27.548 23.493 1.00 0.00 H new ATOM 0 HD3 LYS C 39 29.345 28.714 23.536 1.00 0.00 H new ATOM 0 HE2 LYS C 39 27.500 29.996 24.294 1.00 0.00 H new ATOM 0 HE3 LYS C 39 27.577 30.422 22.596 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 25.407 29.819 22.685 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 26.034 28.260 22.445 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 25.618 28.776 24.008 1.00 0.00 H new ATOM 601 N GLU C 40 30.803 24.810 19.606 1.00 0.00 N ATOM 602 CA GLU C 40 31.821 23.782 19.427 1.00 0.00 C ATOM 603 C GLU C 40 32.371 23.806 18.005 1.00 0.00 C ATOM 604 O GLU C 40 33.583 23.766 17.798 1.00 0.00 O ATOM 605 CB GLU C 40 31.223 22.407 19.724 1.00 0.00 C ATOM 606 CG GLU C 40 31.484 22.042 21.186 1.00 0.00 C ATOM 607 CD GLU C 40 30.916 23.122 22.100 1.00 0.00 C ATOM 608 OE1 GLU C 40 31.640 24.057 22.400 1.00 0.00 O ATOM 609 OE2 GLU C 40 29.768 22.993 22.496 1.00 0.00 O1- ATOM 0 H GLU C 40 29.852 24.455 19.704 1.00 0.00 H new ATOM 0 HA GLU C 40 32.640 23.983 20.118 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.151 22.414 19.526 1.00 0.00 H new ATOM 0 HB3 GLU C 40 31.664 21.657 19.067 1.00 0.00 H new ATOM 0 HG2 GLU C 40 31.026 21.080 21.417 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.555 21.935 21.357 1.00 0.00 H new ATOM 616 N LEU C 41 31.472 23.879 17.030 1.00 0.00 N ATOM 617 CA LEU C 41 31.875 23.912 15.630 1.00 0.00 C ATOM 618 C LEU C 41 32.675 25.174 15.333 1.00 0.00 C ATOM 619 O LEU C 41 33.375 25.255 14.323 1.00 0.00 O ATOM 620 CB LEU C 41 30.638 23.856 14.732 1.00 0.00 C ATOM 621 CG LEU C 41 30.135 22.417 14.638 1.00 0.00 C ATOM 622 CD1 LEU C 41 28.629 22.421 14.360 1.00 0.00 C ATOM 623 CD2 LEU C 41 30.854 21.701 13.486 1.00 0.00 C ATOM 0 H LEU C 41 30.464 23.916 17.182 1.00 0.00 H new ATOM 0 HA LEU C 41 32.506 23.046 15.429 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.855 24.499 15.134 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.881 24.232 13.738 1.00 0.00 H new ATOM 0 HG LEU C 41 30.335 21.901 15.577 1.00 0.00 H new ATOM 0 HD11 LEU C 41 28.269 21.394 14.293 1.00 0.00 H new ATOM 0 HD12 LEU C 41 28.111 22.935 15.170 1.00 0.00 H new ATOM 0 HD13 LEU C 41 28.434 22.936 13.420 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.497 20.674 13.417 1.00 0.00 H new ATOM 0 HD22 LEU C 41 30.649 22.220 12.550 1.00 0.00 H new ATOM 0 HD23 LEU C 41 31.928 21.700 13.672 1.00 0.00 H new ATOM 635 N GLY C 42 32.565 26.158 16.217 1.00 0.00 N ATOM 636 CA GLY C 42 33.285 27.413 16.042 1.00 0.00 C ATOM 637 C GLY C 42 34.796 27.177 16.009 1.00 0.00 C ATOM 638 O GLY C 42 35.522 27.827 15.253 1.00 0.00 O ATOM 0 H GLY C 42 31.988 26.112 17.057 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.968 27.893 15.116 1.00 0.00 H new ATOM 0 HA3 GLY C 42 33.037 28.095 16.855 1.00 0.00 H new ATOM 642 N LYS C 43 35.260 26.241 16.830 1.00 0.00 N ATOM 643 CA LYS C 43 36.683 25.925 16.889 1.00 0.00 C ATOM 644 C LYS C 43 37.157 25.343 15.563 1.00 0.00 C ATOM 645 O LYS C 43 38.249 25.653 15.090 1.00 0.00 O ATOM 646 CB LYS C 43 36.950 24.932 18.020 1.00 0.00 C ATOM 647 CG LYS C 43 36.781 25.634 19.370 1.00 0.00 C ATOM 648 CD LYS C 43 38.113 26.255 19.798 1.00 0.00 C ATOM 649 CE LYS C 43 37.923 27.019 21.109 1.00 0.00 C ATOM 650 NZ LYS C 43 39.222 27.620 21.526 1.00 0.00 N1+ ATOM 0 H LYS C 43 34.676 25.691 17.460 1.00 0.00 H new ATOM 0 HA LYS C 43 37.236 26.845 17.082 1.00 0.00 H new ATOM 0 HB2 LYS C 43 36.262 24.090 17.948 1.00 0.00 H new ATOM 0 HB3 LYS C 43 37.959 24.528 17.932 1.00 0.00 H new ATOM 0 HG2 LYS C 43 36.016 26.406 19.296 1.00 0.00 H new ATOM 0 HG3 LYS C 43 36.443 24.921 20.122 1.00 0.00 H new ATOM 0 HD2 LYS C 43 38.865 25.476 19.924 1.00 0.00 H new ATOM 0 HD3 LYS C 43 38.478 26.928 19.022 1.00 0.00 H new ATOM 0 HE2 LYS C 43 37.173 27.800 20.982 1.00 0.00 H new ATOM 0 HE3 LYS C 43 37.555 26.347 21.884 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 39.094 28.140 22.418 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 39.925 26.866 21.663 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 39.555 28.274 20.789 1.00 0.00 H new ATOM 664 N VAL C 44 36.323 24.502 14.964 1.00 0.00 N ATOM 665 CA VAL C 44 36.664 23.882 13.689 1.00 0.00 C ATOM 666 C VAL C 44 36.846 24.954 12.616 1.00 0.00 C ATOM 667 O VAL C 44 37.761 24.881 11.795 1.00 0.00 O ATOM 668 CB VAL C 44 35.558 22.920 13.269 1.00 0.00 C ATOM 669 CG1 VAL C 44 35.818 22.428 11.839 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.535 21.716 14.218 1.00 0.00 C ATOM 0 H VAL C 44 35.412 24.235 15.337 1.00 0.00 H new ATOM 0 HA VAL C 44 37.597 23.331 13.804 1.00 0.00 H new ATOM 0 HB VAL C 44 34.600 23.437 13.310 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.026 21.741 11.541 1.00 0.00 H new ATOM 0 HG12 VAL C 44 35.834 23.279 11.159 1.00 0.00 H new ATOM 0 HG13 VAL C 44 36.778 21.914 11.800 1.00 0.00 H new ATOM 0 HG21 VAL C 44 34.744 21.030 13.916 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.496 21.203 14.178 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.349 22.059 15.236 1.00 0.00 H new ATOM 680 N MET C 45 35.959 25.944 12.623 1.00 0.00 N ATOM 681 CA MET C 45 36.030 27.016 11.638 1.00 0.00 C ATOM 682 C MET C 45 37.355 27.761 11.749 1.00 0.00 C ATOM 683 O MET C 45 37.976 28.101 10.739 1.00 0.00 O ATOM 684 CB MET C 45 34.875 27.997 11.854 1.00 0.00 C ATOM 685 CG MET C 45 33.551 27.333 11.469 1.00 0.00 C ATOM 686 SD MET C 45 33.486 27.099 9.675 1.00 0.00 S ATOM 687 CE MET C 45 33.543 25.292 9.672 1.00 0.00 C ATOM 0 H MET C 45 35.192 26.026 13.291 1.00 0.00 H new ATOM 0 HA MET C 45 35.956 26.575 10.644 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.844 28.313 12.897 1.00 0.00 H new ATOM 0 HB3 MET C 45 35.031 28.894 11.254 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.454 26.372 11.975 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.715 27.951 11.796 1.00 0.00 H new ATOM 0 HE1 MET C 45 33.763 24.937 8.665 1.00 0.00 H new ATOM 0 HE2 MET C 45 34.321 24.951 10.355 1.00 0.00 H new ATOM 0 HE3 MET C 45 32.579 24.897 9.994 1.00 0.00 H new ATOM 697 N ARG C 46 37.788 28.005 12.982 1.00 0.00 N ATOM 698 CA ARG C 46 39.049 28.705 13.214 1.00 0.00 C ATOM 699 C ARG C 46 40.216 27.908 12.634 1.00 0.00 C ATOM 700 O ARG C 46 41.129 28.472 12.033 1.00 0.00 O ATOM 701 CB ARG C 46 39.265 28.911 14.712 1.00 0.00 C ATOM 702 CG ARG C 46 40.499 29.788 14.934 1.00 0.00 C ATOM 703 CD ARG C 46 40.692 30.026 16.432 1.00 0.00 C ATOM 704 NE ARG C 46 39.549 30.746 16.982 1.00 0.00 N ATOM 705 CZ ARG C 46 39.438 30.963 18.289 1.00 0.00 C ATOM 706 NH1 ARG C 46 40.362 30.531 19.102 1.00 0.00 N ATOM 707 NH2 ARG C 46 38.405 31.607 18.757 1.00 0.00 N1+ ATOM 0 H ARG C 46 37.290 27.732 13.829 1.00 0.00 H new ATOM 0 HA ARG C 46 39.002 29.675 12.719 1.00 0.00 H new ATOM 0 HB2 ARG C 46 38.387 29.381 15.156 1.00 0.00 H new ATOM 0 HB3 ARG C 46 39.396 27.949 15.207 1.00 0.00 H new ATOM 0 HG2 ARG C 46 41.382 29.305 14.515 1.00 0.00 H new ATOM 0 HG3 ARG C 46 40.380 30.740 14.416 1.00 0.00 H new ATOM 0 HD2 ARG C 46 40.811 29.072 16.946 1.00 0.00 H new ATOM 0 HD3 ARG C 46 41.605 30.596 16.602 1.00 0.00 H new ATOM 0 HE ARG C 46 38.823 31.089 16.353 1.00 0.00 H new ATOM 0 HH11 ARG C 46 41.169 30.027 18.735 1.00 0.00 H new ATOM 0 HH12 ARG C 46 40.277 30.697 20.105 1.00 0.00 H new ATOM 0 HH21 ARG C 46 37.683 31.944 18.120 1.00 0.00 H new ATOM 0 HH22 ARG C 46 38.319 31.774 19.760 1.00 0.00 H new ATOM 721 N MET C 47 40.176 26.592 12.817 1.00 0.00 N ATOM 722 CA MET C 47 41.232 25.725 12.304 1.00 0.00 C ATOM 723 C MET C 47 41.322 25.823 10.786 1.00 0.00 C ATOM 724 O MET C 47 42.405 25.713 10.210 1.00 0.00 O ATOM 725 CB MET C 47 40.966 24.276 12.713 1.00 0.00 C ATOM 726 CG MET C 47 41.678 23.973 14.033 1.00 0.00 C ATOM 727 SD MET C 47 43.457 23.808 13.732 1.00 0.00 S ATOM 728 CE MET C 47 43.902 23.136 15.352 1.00 0.00 C ATOM 0 H MET C 47 39.430 26.105 13.313 1.00 0.00 H new ATOM 0 HA MET C 47 42.180 26.052 12.731 1.00 0.00 H new ATOM 0 HB2 MET C 47 39.894 24.109 12.820 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.318 23.598 11.935 1.00 0.00 H new ATOM 0 HG2 MET C 47 41.492 24.772 14.751 1.00 0.00 H new ATOM 0 HG3 MET C 47 41.285 23.054 14.469 1.00 0.00 H new ATOM 0 HE1 MET C 47 44.976 22.955 15.388 1.00 0.00 H new ATOM 0 HE2 MET C 47 43.627 23.849 16.130 1.00 0.00 H new ATOM 0 HE3 MET C 47 43.371 22.198 15.515 1.00 0.00 H new ATOM 738 N LEU C 48 40.180 26.029 10.150 1.00 0.00 N ATOM 739 CA LEU C 48 40.135 26.141 8.694 1.00 0.00 C ATOM 740 C LEU C 48 40.583 27.529 8.248 1.00 0.00 C ATOM 741 O LEU C 48 40.714 27.795 7.053 1.00 0.00 O ATOM 742 CB LEU C 48 38.717 25.871 8.187 1.00 0.00 C ATOM 743 CG LEU C 48 38.314 24.436 8.536 1.00 0.00 C ATOM 744 CD1 LEU C 48 36.856 24.204 8.141 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.209 23.449 7.778 1.00 0.00 C ATOM 0 H LEU C 48 39.275 26.122 10.612 1.00 0.00 H new ATOM 0 HA LEU C 48 40.815 25.400 8.273 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.018 26.576 8.637 1.00 0.00 H new ATOM 0 HB3 LEU C 48 38.670 26.021 7.108 1.00 0.00 H new ATOM 0 HG LEU C 48 38.431 24.281 9.609 1.00 0.00 H new ATOM 0 HD11 LEU C 48 36.570 23.182 8.390 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.217 24.902 8.682 1.00 0.00 H new ATOM 0 HD13 LEU C 48 36.740 24.362 7.069 1.00 0.00 H new ATOM 0 HD21 LEU C 48 38.919 22.429 8.029 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.096 23.605 6.705 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.249 23.611 8.060 1.00 0.00 H new ATOM 757 N GLY C 49 40.821 28.407 9.217 1.00 0.00 N ATOM 758 CA GLY C 49 41.258 29.763 8.911 1.00 0.00 C ATOM 759 C GLY C 49 40.089 30.630 8.463 1.00 0.00 C ATOM 760 O GLY C 49 40.282 31.652 7.806 1.00 0.00 O ATOM 0 H GLY C 49 40.720 28.206 10.212 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.725 30.205 9.791 1.00 0.00 H new ATOM 0 HA3 GLY C 49 42.015 29.736 8.128 1.00 0.00 H new ATOM 764 N GLN C 50 38.876 30.211 8.818 1.00 0.00 N ATOM 765 CA GLN C 50 37.680 30.955 8.445 1.00 0.00 C ATOM 766 C GLN C 50 36.970 31.483 9.686 1.00 0.00 C ATOM 767 O GLN C 50 36.936 30.820 10.722 1.00 0.00 O ATOM 768 CB GLN C 50 36.731 30.052 7.656 1.00 0.00 C ATOM 769 CG GLN C 50 37.405 29.614 6.354 1.00 0.00 C ATOM 770 CD GLN C 50 36.439 28.776 5.524 1.00 0.00 C ATOM 771 OE1 GLN C 50 35.266 29.125 5.395 1.00 0.00 O ATOM 772 NE2 GLN C 50 36.865 27.686 4.946 1.00 0.00 N ATOM 0 H GLN C 50 38.698 29.365 9.360 1.00 0.00 H new ATOM 0 HA GLN C 50 37.977 31.800 7.824 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.465 29.179 8.251 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.805 30.583 7.437 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.721 30.489 5.786 1.00 0.00 H new ATOM 0 HG3 GLN C 50 38.303 29.037 6.576 1.00 0.00 H new ATOM 0 HE21 GLN C 50 37.838 27.398 5.054 1.00 0.00 H new ATOM 0 HE22 GLN C 50 36.225 27.122 4.386 1.00 0.00 H new ATOM 781 N ASN C 51 36.404 32.681 9.572 1.00 0.00 N ATOM 782 CA ASN C 51 35.694 33.289 10.692 1.00 0.00 C ATOM 783 C ASN C 51 34.364 33.873 10.226 1.00 0.00 C ATOM 784 O ASN C 51 34.178 35.090 10.209 1.00 0.00 O ATOM 785 CB ASN C 51 36.552 34.398 11.309 1.00 0.00 C ATOM 786 CG ASN C 51 35.976 34.813 12.657 1.00 0.00 C ATOM 787 OD1 ASN C 51 36.510 34.440 13.701 1.00 0.00 O ATOM 788 ND2 ASN C 51 34.913 35.569 12.698 1.00 0.00 N ATOM 0 H ASN C 51 36.423 33.246 8.723 1.00 0.00 H new ATOM 0 HA ASN C 51 35.499 32.520 11.439 1.00 0.00 H new ATOM 0 HB2 ASN C 51 37.577 34.049 11.434 1.00 0.00 H new ATOM 0 HB3 ASN C 51 36.587 35.257 10.639 1.00 0.00 H new ATOM 0 HD21 ASN C 51 34.523 35.852 13.597 1.00 0.00 H new ATOM 0 HD22 ASN C 51 34.472 35.877 11.831 1.00 0.00 H new ATOM 795 N PRO C 52 33.444 33.025 9.855 1.00 0.00 N ATOM 796 CA PRO C 52 32.098 33.445 9.376 1.00 0.00 C ATOM 797 C PRO C 52 31.179 33.853 10.521 1.00 0.00 C ATOM 798 O PRO C 52 31.624 34.034 11.654 1.00 0.00 O ATOM 799 CB PRO C 52 31.569 32.208 8.656 1.00 0.00 C ATOM 800 CG PRO C 52 32.251 31.052 9.308 1.00 0.00 C ATOM 801 CD PRO C 52 33.587 31.560 9.852 1.00 0.00 C ATOM 0 HA PRO C 52 32.147 34.325 8.735 1.00 0.00 H new ATOM 0 HB2 PRO C 52 30.486 32.131 8.751 1.00 0.00 H new ATOM 0 HB3 PRO C 52 31.793 32.247 7.590 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.637 30.648 10.113 1.00 0.00 H new ATOM 0 HG3 PRO C 52 32.409 30.246 8.592 1.00 0.00 H new ATOM 0 HD2 PRO C 52 33.780 31.177 10.854 1.00 0.00 H new ATOM 0 HD3 PRO C 52 34.419 31.243 9.224 1.00 0.00 H new ATOM 809 N THR C 53 29.898 34.005 10.211 1.00 0.00 N ATOM 810 CA THR C 53 28.924 34.397 11.216 1.00 0.00 C ATOM 811 C THR C 53 28.275 33.170 11.848 1.00 0.00 C ATOM 812 O THR C 53 28.231 32.098 11.247 1.00 0.00 O ATOM 813 CB THR C 53 27.845 35.287 10.589 1.00 0.00 C ATOM 814 OG1 THR C 53 27.700 34.946 9.221 1.00 0.00 O ATOM 815 CG2 THR C 53 28.248 36.756 10.724 1.00 0.00 C ATOM 0 H THR C 53 29.513 33.863 9.277 1.00 0.00 H new ATOM 0 HA THR C 53 29.444 34.956 11.993 1.00 0.00 H new ATOM 0 HB THR C 53 26.896 35.134 11.102 1.00 0.00 H new ATOM 0 HG1 THR C 53 27.010 35.511 8.814 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.479 37.387 10.277 1.00 0.00 H new ATOM 0 HG22 THR C 53 28.357 37.008 11.779 1.00 0.00 H new ATOM 0 HG23 THR C 53 29.196 36.922 10.212 1.00 0.00 H new ATOM 823 N PRO C 54 27.770 33.310 13.043 1.00 0.00 N ATOM 824 CA PRO C 54 27.110 32.191 13.775 1.00 0.00 C ATOM 825 C PRO C 54 25.916 31.624 13.012 1.00 0.00 C ATOM 826 O PRO C 54 25.581 30.446 13.144 1.00 0.00 O ATOM 827 CB PRO C 54 26.655 32.836 15.093 1.00 0.00 C ATOM 828 CG PRO C 54 26.671 34.307 14.850 1.00 0.00 C ATOM 829 CD PRO C 54 27.771 34.548 13.836 1.00 0.00 C ATOM 0 HA PRO C 54 27.783 31.345 13.916 1.00 0.00 H new ATOM 0 HB2 PRO C 54 25.657 32.496 15.371 1.00 0.00 H new ATOM 0 HB3 PRO C 54 27.323 32.567 15.911 1.00 0.00 H new ATOM 0 HG2 PRO C 54 25.708 34.651 14.471 1.00 0.00 H new ATOM 0 HG3 PRO C 54 26.864 34.853 15.773 1.00 0.00 H new ATOM 0 HD2 PRO C 54 27.566 35.422 13.219 1.00 0.00 H new ATOM 0 HD3 PRO C 54 28.734 34.717 14.318 1.00 0.00 H new ATOM 837 N GLU C 55 25.274 32.469 12.221 1.00 0.00 N ATOM 838 CA GLU C 55 24.107 32.046 11.451 1.00 0.00 C ATOM 839 C GLU C 55 24.500 30.932 10.481 1.00 0.00 C ATOM 840 O GLU C 55 23.741 29.993 10.251 1.00 0.00 O ATOM 841 CB GLU C 55 23.552 33.233 10.657 1.00 0.00 C ATOM 842 CG GLU C 55 23.277 34.390 11.614 1.00 0.00 C ATOM 843 CD GLU C 55 22.652 35.560 10.857 1.00 0.00 C ATOM 844 OE1 GLU C 55 22.968 35.719 9.691 1.00 0.00 O ATOM 845 OE2 GLU C 55 21.869 36.281 11.456 1.00 0.00 O1- ATOM 0 H GLU C 55 25.536 33.446 12.093 1.00 0.00 H new ATOM 0 HA GLU C 55 23.345 31.678 12.138 1.00 0.00 H new ATOM 0 HB2 GLU C 55 24.265 33.540 9.892 1.00 0.00 H new ATOM 0 HB3 GLU C 55 22.635 32.945 10.142 1.00 0.00 H new ATOM 0 HG2 GLU C 55 22.608 34.063 12.410 1.00 0.00 H new ATOM 0 HG3 GLU C 55 24.205 34.708 12.089 1.00 0.00 H new ATOM 852 N GLU C 56 25.692 31.048 9.915 1.00 0.00 N ATOM 853 CA GLU C 56 26.183 30.045 8.963 1.00 0.00 C ATOM 854 C GLU C 56 26.371 28.703 9.665 1.00 0.00 C ATOM 855 O GLU C 56 26.066 27.647 9.112 1.00 0.00 O ATOM 856 CB GLU C 56 27.515 30.493 8.358 1.00 0.00 C ATOM 857 CG GLU C 56 27.303 31.789 7.580 1.00 0.00 C ATOM 858 CD GLU C 56 28.575 32.160 6.825 1.00 0.00 C ATOM 859 OE1 GLU C 56 29.491 31.354 6.817 1.00 0.00 O ATOM 860 OE2 GLU C 56 28.616 33.245 6.266 1.00 0.00 O1- ATOM 0 H GLU C 56 26.338 31.818 10.092 1.00 0.00 H new ATOM 0 HA GLU C 56 25.447 29.937 8.166 1.00 0.00 H new ATOM 0 HB2 GLU C 56 28.253 30.644 9.146 1.00 0.00 H new ATOM 0 HB3 GLU C 56 27.907 29.719 7.698 1.00 0.00 H new ATOM 0 HG2 GLU C 56 26.476 31.671 6.880 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.029 32.592 8.264 1.00 0.00 H new ATOM 867 N LEU C 57 26.868 28.756 10.893 1.00 0.00 N ATOM 868 CA LEU C 57 27.083 27.536 11.672 1.00 0.00 C ATOM 869 C LEU C 57 25.771 26.801 11.897 1.00 0.00 C ATOM 870 O LEU C 57 25.712 25.572 11.820 1.00 0.00 O ATOM 871 CB LEU C 57 27.715 27.878 13.027 1.00 0.00 C ATOM 872 CG LEU C 57 29.226 28.058 12.860 1.00 0.00 C ATOM 873 CD1 LEU C 57 29.873 26.708 12.526 1.00 0.00 C ATOM 874 CD2 LEU C 57 29.500 29.048 11.724 1.00 0.00 C ATOM 0 H LEU C 57 27.129 29.619 11.371 1.00 0.00 H new ATOM 0 HA LEU C 57 27.757 26.890 11.109 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.272 28.791 13.426 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.511 27.084 13.745 1.00 0.00 H new ATOM 0 HG LEU C 57 29.648 28.442 13.789 1.00 0.00 H new ATOM 0 HD11 LEU C 57 30.949 26.839 12.408 1.00 0.00 H new ATOM 0 HD12 LEU C 57 29.680 26.002 13.334 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.451 26.322 11.598 1.00 0.00 H new ATOM 0 HD21 LEU C 57 30.576 29.176 11.605 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.075 28.664 10.796 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.044 30.009 11.961 1.00 0.00 H new ATOM 886 N GLN C 58 24.722 27.562 12.161 1.00 0.00 N ATOM 887 CA GLN C 58 23.406 26.971 12.381 1.00 0.00 C ATOM 888 C GLN C 58 22.912 26.265 11.123 1.00 0.00 C ATOM 889 O GLN C 58 22.340 25.175 11.191 1.00 0.00 O ATOM 890 CB GLN C 58 22.403 28.051 12.798 1.00 0.00 C ATOM 891 CG GLN C 58 21.011 27.431 12.979 1.00 0.00 C ATOM 892 CD GLN C 58 21.068 26.300 13.998 1.00 0.00 C ATOM 893 OE1 GLN C 58 21.064 25.127 13.625 1.00 0.00 O ATOM 894 NE2 GLN C 58 21.132 26.580 15.269 1.00 0.00 N ATOM 0 H GLN C 58 24.751 28.579 12.228 1.00 0.00 H new ATOM 0 HA GLN C 58 23.493 26.236 13.181 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.726 28.519 13.728 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.365 28.836 12.042 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.305 28.193 13.310 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.647 27.052 12.024 1.00 0.00 H new ATOM 0 HE21 GLN C 58 21.135 27.552 15.578 1.00 0.00 H new ATOM 0 HE22 GLN C 58 21.179 25.827 15.955 1.00 0.00 H new ATOM 903 N GLU C 59 23.117 26.904 9.978 1.00 0.00 N ATOM 904 CA GLU C 59 22.674 26.338 8.711 1.00 0.00 C ATOM 905 C GLU C 59 23.367 25.005 8.455 1.00 0.00 C ATOM 906 O GLU C 59 22.745 24.050 7.992 1.00 0.00 O ATOM 907 CB GLU C 59 22.992 27.306 7.569 1.00 0.00 C ATOM 908 CG GLU C 59 22.078 28.530 7.666 1.00 0.00 C ATOM 909 CD GLU C 59 22.507 29.582 6.647 1.00 0.00 C ATOM 910 OE1 GLU C 59 23.602 29.461 6.124 1.00 0.00 O ATOM 911 OE2 GLU C 59 21.731 30.491 6.403 1.00 0.00 O1- ATOM 0 H GLU C 59 23.584 27.808 9.901 1.00 0.00 H new ATOM 0 HA GLU C 59 21.597 26.175 8.760 1.00 0.00 H new ATOM 0 HB2 GLU C 59 24.036 27.614 7.620 1.00 0.00 H new ATOM 0 HB3 GLU C 59 22.852 26.810 6.608 1.00 0.00 H new ATOM 0 HG2 GLU C 59 21.044 28.237 7.486 1.00 0.00 H new ATOM 0 HG3 GLU C 59 22.120 28.947 8.672 1.00 0.00 H new ATOM 918 N MET C 60 24.658 24.945 8.766 1.00 0.00 N ATOM 919 CA MET C 60 25.421 23.718 8.566 1.00 0.00 C ATOM 920 C MET C 60 24.860 22.592 9.428 1.00 0.00 C ATOM 921 O MET C 60 24.716 21.460 8.966 1.00 0.00 O ATOM 922 CB MET C 60 26.889 23.956 8.930 1.00 0.00 C ATOM 923 CG MET C 60 27.524 24.894 7.902 1.00 0.00 C ATOM 924 SD MET C 60 29.258 25.183 8.337 1.00 0.00 S ATOM 925 CE MET C 60 29.632 26.355 7.010 1.00 0.00 C ATOM 0 H MET C 60 25.193 25.722 9.153 1.00 0.00 H new ATOM 0 HA MET C 60 25.345 23.430 7.517 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.962 24.390 9.927 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.427 23.008 8.954 1.00 0.00 H new ATOM 0 HG2 MET C 60 27.456 24.458 6.905 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.983 25.840 7.874 1.00 0.00 H new ATOM 0 HE1 MET C 60 30.672 26.672 7.087 1.00 0.00 H new ATOM 0 HE2 MET C 60 29.469 25.876 6.045 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.980 27.224 7.098 1.00 0.00 H new ATOM 935 N ILE C 61 24.537 22.916 10.679 1.00 0.00 N ATOM 936 CA ILE C 61 23.985 21.929 11.599 1.00 0.00 C ATOM 937 C ILE C 61 22.613 21.462 11.117 1.00 0.00 C ATOM 938 O ILE C 61 22.310 20.276 11.121 1.00 0.00 O ATOM 939 CB ILE C 61 23.862 22.522 12.997 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.258 22.834 13.535 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.183 21.504 13.915 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.134 23.619 14.839 1.00 0.00 C ATOM 0 H ILE C 61 24.648 23.849 11.075 1.00 0.00 H new ATOM 0 HA ILE C 61 24.660 21.074 11.632 1.00 0.00 H new ATOM 0 HB ILE C 61 23.270 23.437 12.960 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.809 21.909 13.705 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.822 23.411 12.802 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.092 21.922 14.917 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.191 21.270 13.528 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.781 20.594 13.955 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.129 23.843 15.225 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.599 24.550 14.654 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.586 23.025 15.571 1.00 0.00 H new ATOM 954 N ASP C 62 21.783 22.417 10.703 1.00 0.00 N ATOM 955 CA ASP C 62 20.442 22.103 10.226 1.00 0.00 C ATOM 956 C ASP C 62 20.502 21.195 9.004 1.00 0.00 C ATOM 957 O ASP C 62 19.687 20.284 8.854 1.00 0.00 O ATOM 958 CB ASP C 62 19.694 23.388 9.875 1.00 0.00 C ATOM 959 CG ASP C 62 18.260 23.061 9.466 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.961 21.890 9.301 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.479 23.990 9.323 1.00 0.00 O1- ATOM 0 H ASP C 62 22.016 23.410 10.689 1.00 0.00 H new ATOM 0 HA ASP C 62 19.911 21.582 11.023 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.692 24.063 10.731 1.00 0.00 H new ATOM 0 HB3 ASP C 62 20.204 23.905 9.062 1.00 0.00 H new ATOM 966 N GLU C 63 21.456 21.464 8.117 1.00 0.00 N ATOM 967 CA GLU C 63 21.591 20.678 6.904 1.00 0.00 C ATOM 968 C GLU C 63 21.872 19.216 7.226 1.00 0.00 C ATOM 969 O GLU C 63 21.269 18.317 6.640 1.00 0.00 O ATOM 970 CB GLU C 63 22.741 21.239 6.053 1.00 0.00 C ATOM 971 CG GLU C 63 22.863 20.432 4.760 1.00 0.00 C ATOM 972 CD GLU C 63 23.971 21.007 3.885 1.00 0.00 C ATOM 973 OE1 GLU C 63 24.921 21.536 4.438 1.00 0.00 O ATOM 974 OE2 GLU C 63 23.853 20.912 2.674 1.00 0.00 O1- ATOM 0 H GLU C 63 22.139 22.214 8.218 1.00 0.00 H new ATOM 0 HA GLU C 63 20.652 20.738 6.353 1.00 0.00 H new ATOM 0 HB2 GLU C 63 22.558 22.289 5.823 1.00 0.00 H new ATOM 0 HB3 GLU C 63 23.676 21.194 6.612 1.00 0.00 H new ATOM 0 HG2 GLU C 63 23.077 19.389 4.992 1.00 0.00 H new ATOM 0 HG3 GLU C 63 21.916 20.451 4.220 1.00 0.00 H new ATOM 981 N VAL C 64 22.798 18.985 8.148 1.00 0.00 N ATOM 982 CA VAL C 64 23.159 17.624 8.526 1.00 0.00 C ATOM 983 C VAL C 64 22.148 17.048 9.508 1.00 0.00 C ATOM 984 O VAL C 64 21.906 15.841 9.528 1.00 0.00 O ATOM 985 CB VAL C 64 24.555 17.609 9.153 1.00 0.00 C ATOM 986 CG1 VAL C 64 25.573 18.151 8.146 1.00 0.00 C ATOM 987 CG2 VAL C 64 24.558 18.490 10.398 1.00 0.00 C ATOM 0 H VAL C 64 23.309 19.715 8.644 1.00 0.00 H new ATOM 0 HA VAL C 64 23.158 17.008 7.627 1.00 0.00 H new ATOM 0 HB VAL C 64 24.821 16.588 9.425 1.00 0.00 H new ATOM 0 HG11 VAL C 64 26.567 18.140 8.592 1.00 0.00 H new ATOM 0 HG12 VAL C 64 25.569 17.526 7.253 1.00 0.00 H new ATOM 0 HG13 VAL C 64 25.308 19.173 7.875 1.00 0.00 H new ATOM 0 HG21 VAL C 64 25.551 18.482 10.847 1.00 0.00 H new ATOM 0 HG22 VAL C 64 24.293 19.511 10.122 1.00 0.00 H new ATOM 0 HG23 VAL C 64 23.832 18.108 11.116 1.00 0.00 H new ATOM 997 N ASP C 65 21.562 17.919 10.323 1.00 0.00 N ATOM 998 CA ASP C 65 20.579 17.480 11.306 1.00 0.00 C ATOM 999 C ASP C 65 19.282 17.073 10.620 1.00 0.00 C ATOM 1000 O ASP C 65 18.676 17.863 9.895 1.00 0.00 O ATOM 1001 CB ASP C 65 20.296 18.605 12.302 1.00 0.00 C ATOM 1002 CG ASP C 65 21.410 18.689 13.341 1.00 0.00 C ATOM 1003 OD1 ASP C 65 22.328 17.887 13.263 1.00 0.00 O ATOM 1004 OD2 ASP C 65 21.309 19.533 14.217 1.00 0.00 O1- ATOM 0 H ASP C 65 21.748 18.922 10.323 1.00 0.00 H new ATOM 0 HA ASP C 65 20.985 16.618 11.836 1.00 0.00 H new ATOM 0 HB2 ASP C 65 20.211 19.554 11.773 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.341 18.429 12.797 1.00 0.00 H new ATOM 1009 N GLU C 66 18.857 15.836 10.858 1.00 0.00 N ATOM 1010 CA GLU C 66 17.627 15.334 10.266 1.00 0.00 C ATOM 1011 C GLU C 66 16.415 16.018 10.894 1.00 0.00 C ATOM 1012 O GLU C 66 15.442 16.335 10.209 1.00 0.00 O ATOM 1013 CB GLU C 66 17.528 13.822 10.469 1.00 0.00 C ATOM 1014 CG GLU C 66 16.384 13.265 9.620 1.00 0.00 C ATOM 1015 CD GLU C 66 16.758 13.323 8.142 1.00 0.00 C ATOM 1016 OE1 GLU C 66 17.927 13.528 7.856 1.00 0.00 O ATOM 1017 OE2 GLU C 66 15.874 13.157 7.318 1.00 0.00 O1- ATOM 0 H GLU C 66 19.345 15.167 11.454 1.00 0.00 H new ATOM 0 HA GLU C 66 17.641 15.554 9.198 1.00 0.00 H new ATOM 0 HB2 GLU C 66 18.467 13.345 10.190 1.00 0.00 H new ATOM 0 HB3 GLU C 66 17.357 13.596 11.522 1.00 0.00 H new ATOM 0 HG2 GLU C 66 16.172 12.236 9.910 1.00 0.00 H new ATOM 0 HG3 GLU C 66 15.475 13.840 9.797 1.00 0.00 H new ATOM 1024 N ASP C 67 16.476 16.227 12.209 1.00 0.00 N ATOM 1025 CA ASP C 67 15.376 16.863 12.924 1.00 0.00 C ATOM 1026 C ASP C 67 15.550 18.375 12.956 1.00 0.00 C ATOM 1027 O ASP C 67 14.635 19.105 13.335 1.00 0.00 O ATOM 1028 CB ASP C 67 15.303 16.321 14.353 1.00 0.00 C ATOM 1029 CG ASP C 67 16.593 16.643 15.095 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.448 17.283 14.505 1.00 0.00 O ATOM 1031 OD2 ASP C 67 16.710 16.244 16.241 1.00 0.00 O1- ATOM 0 H ASP C 67 17.270 15.967 12.795 1.00 0.00 H new ATOM 0 HA ASP C 67 14.449 16.634 12.399 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.453 16.761 14.875 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.143 15.243 14.335 1.00 0.00 H new ATOM 1036 N GLY C 68 16.726 18.837 12.550 1.00 0.00 N ATOM 1037 CA GLY C 68 17.003 20.267 12.529 1.00 0.00 C ATOM 1038 C GLY C 68 17.024 20.832 13.944 1.00 0.00 C ATOM 1039 O GLY C 68 16.765 22.016 14.154 1.00 0.00 O ATOM 0 H GLY C 68 17.497 18.248 12.234 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.962 20.450 12.045 1.00 0.00 H new ATOM 0 HA3 GLY C 68 16.245 20.781 11.938 1.00 0.00 H new ATOM 1043 N SER C 69 17.314 19.972 14.915 1.00 0.00 N ATOM 1044 CA SER C 69 17.342 20.398 16.311 1.00 0.00 C ATOM 1045 C SER C 69 18.302 21.569 16.497 1.00 0.00 C ATOM 1046 O SER C 69 18.120 22.393 17.396 1.00 0.00 O ATOM 1047 CB SER C 69 17.782 19.235 17.202 1.00 0.00 C ATOM 1048 OG SER C 69 19.089 18.825 16.823 1.00 0.00 O ATOM 0 H SER C 69 17.531 18.987 14.765 1.00 0.00 H new ATOM 0 HA SER C 69 16.338 20.716 16.593 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.772 19.539 18.249 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.084 18.403 17.105 1.00 0.00 H new ATOM 1054 N GLY C 70 19.314 21.648 15.638 1.00 0.00 N ATOM 1055 CA GLY C 70 20.282 22.729 15.717 1.00 0.00 C ATOM 1056 C GLY C 70 21.564 22.256 16.391 1.00 0.00 C ATOM 1057 O GLY C 70 22.496 23.033 16.585 1.00 0.00 O ATOM 0 H GLY C 70 19.482 20.980 14.886 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.506 23.097 14.716 1.00 0.00 H new ATOM 0 HA3 GLY C 70 19.858 23.563 16.276 1.00 0.00 H new ATOM 1061 N THR C 71 21.608 20.972 16.737 1.00 0.00 N ATOM 1062 CA THR C 71 22.786 20.404 17.381 1.00 0.00 C ATOM 1063 C THR C 71 23.119 19.040 16.784 1.00 0.00 C ATOM 1064 O THR C 71 22.276 18.414 16.142 1.00 0.00 O ATOM 1065 CB THR C 71 22.536 20.260 18.883 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.504 19.310 19.100 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.115 21.613 19.461 1.00 0.00 C ATOM 0 H THR C 71 20.847 20.310 16.583 1.00 0.00 H new ATOM 0 HA THR C 71 23.629 21.074 17.214 1.00 0.00 H new ATOM 0 HB THR C 71 23.449 19.924 19.374 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.344 19.215 20.062 1.00 0.00 H new ATOM 0 HG21 THR C 71 21.936 21.512 20.531 1.00 0.00 H new ATOM 0 HG22 THR C 71 22.907 22.343 19.293 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.201 21.950 18.971 1.00 0.00 H new ATOM 1075 N VAL C 72 24.349 18.584 17.010 1.00 0.00 N ATOM 1076 CA VAL C 72 24.787 17.289 16.501 1.00 0.00 C ATOM 1077 C VAL C 72 25.185 16.368 17.649 1.00 0.00 C ATOM 1078 O VAL C 72 26.010 16.730 18.490 1.00 0.00 O ATOM 1079 CB VAL C 72 25.967 17.473 15.549 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.491 16.105 15.112 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.512 18.259 14.319 1.00 0.00 C ATOM 0 H VAL C 72 25.057 19.091 17.541 1.00 0.00 H new ATOM 0 HA VAL C 72 23.958 16.832 15.960 1.00 0.00 H new ATOM 0 HB VAL C 72 26.760 18.020 16.058 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.333 16.238 14.433 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.816 15.543 15.988 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.698 15.557 14.604 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.354 18.391 13.639 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.718 17.712 13.811 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.140 19.236 14.629 1.00 0.00 H new ATOM 1091 N ASP C 73 24.591 15.178 17.680 1.00 0.00 N ATOM 1092 CA ASP C 73 24.888 14.212 18.730 1.00 0.00 C ATOM 1093 C ASP C 73 25.757 13.081 18.192 1.00 0.00 C ATOM 1094 O ASP C 73 26.275 13.160 17.080 1.00 0.00 O ATOM 1095 CB ASP C 73 23.590 13.638 19.298 1.00 0.00 C ATOM 1096 CG ASP C 73 23.725 13.422 20.803 1.00 0.00 C ATOM 1097 OD1 ASP C 73 24.846 13.302 21.271 1.00 0.00 O ATOM 1098 OD2 ASP C 73 22.704 13.383 21.468 1.00 0.00 O1- ATOM 0 H ASP C 73 23.905 14.862 16.994 1.00 0.00 H new ATOM 0 HA ASP C 73 25.433 14.725 19.522 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.763 14.318 19.093 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.356 12.694 18.807 1.00 0.00 H new ATOM 1103 N PHE C 74 25.919 12.032 18.992 1.00 0.00 N ATOM 1104 CA PHE C 74 26.734 10.895 18.587 1.00 0.00 C ATOM 1105 C PHE C 74 26.182 10.263 17.311 1.00 0.00 C ATOM 1106 O PHE C 74 26.924 10.004 16.364 1.00 0.00 O ATOM 1107 CB PHE C 74 26.764 9.851 19.705 1.00 0.00 C ATOM 1108 CG PHE C 74 27.577 8.659 19.259 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.976 8.715 19.291 1.00 0.00 C ATOM 1110 CD2 PHE C 74 26.934 7.499 18.815 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.731 7.611 18.878 1.00 0.00 C ATOM 1112 CE2 PHE C 74 27.688 6.394 18.403 1.00 0.00 C ATOM 1113 CZ PHE C 74 29.087 6.450 18.433 1.00 0.00 C ATOM 0 H PHE C 74 25.500 11.947 19.918 1.00 0.00 H new ATOM 0 HA PHE C 74 27.746 11.249 18.392 1.00 0.00 H new ATOM 0 HB2 PHE C 74 27.196 10.282 20.608 1.00 0.00 H new ATOM 0 HB3 PHE C 74 25.749 9.540 19.954 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.473 9.610 19.635 1.00 0.00 H new ATOM 0 HD2 PHE C 74 25.855 7.456 18.790 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.810 7.655 18.903 1.00 0.00 H new ATOM 0 HE2 PHE C 74 27.191 5.498 18.062 1.00 0.00 H new ATOM 0 HZ PHE C 74 29.669 5.598 18.113 1.00 0.00 H new ATOM 1123 N ASP C 75 24.879 10.004 17.297 1.00 0.00 N ATOM 1124 CA ASP C 75 24.244 9.389 16.137 1.00 0.00 C ATOM 1125 C ASP C 75 24.373 10.289 14.910 1.00 0.00 C ATOM 1126 O ASP C 75 24.830 9.855 13.852 1.00 0.00 O ATOM 1127 CB ASP C 75 22.761 9.140 16.431 1.00 0.00 C ATOM 1128 CG ASP C 75 22.136 8.338 15.296 1.00 0.00 C ATOM 1129 OD1 ASP C 75 22.791 8.179 14.279 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.014 7.889 15.464 1.00 0.00 O1- ATOM 0 H ASP C 75 24.246 10.209 18.070 1.00 0.00 H new ATOM 0 HA ASP C 75 24.744 8.442 15.932 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.653 8.600 17.372 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.240 10.090 16.547 1.00 0.00 H new ATOM 1135 N GLU C 76 23.995 11.552 15.069 1.00 0.00 N ATOM 1136 CA GLU C 76 24.092 12.518 13.980 1.00 0.00 C ATOM 1137 C GLU C 76 25.553 12.742 13.595 1.00 0.00 C ATOM 1138 O GLU C 76 25.872 12.945 12.425 1.00 0.00 O ATOM 1139 CB GLU C 76 23.444 13.838 14.381 1.00 0.00 C ATOM 1140 CG GLU C 76 21.925 13.671 14.428 1.00 0.00 C ATOM 1141 CD GLU C 76 21.285 14.902 15.059 1.00 0.00 C ATOM 1142 OE1 GLU C 76 21.990 15.631 15.733 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.100 15.101 14.853 1.00 0.00 O1- ATOM 0 H GLU C 76 23.620 11.931 15.938 1.00 0.00 H new ATOM 0 HA GLU C 76 23.562 12.118 13.116 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.815 14.156 15.355 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.712 14.618 13.668 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.536 13.524 13.421 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.666 12.781 15.002 1.00 0.00 H new ATOM 1150 N PHE C 77 26.432 12.703 14.590 1.00 0.00 N ATOM 1151 CA PHE C 77 27.859 12.898 14.348 1.00 0.00 C ATOM 1152 C PHE C 77 28.367 11.882 13.333 1.00 0.00 C ATOM 1153 O PHE C 77 29.045 12.241 12.369 1.00 0.00 O ATOM 1154 CB PHE C 77 28.634 12.751 15.656 1.00 0.00 C ATOM 1155 CG PHE C 77 30.068 12.393 15.349 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.890 13.303 14.678 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.577 11.146 15.741 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.219 12.968 14.393 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.906 10.810 15.457 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.727 11.722 14.784 1.00 0.00 C ATOM 0 H PHE C 77 26.185 12.539 15.566 1.00 0.00 H new ATOM 0 HA PHE C 77 28.011 13.901 13.950 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.593 13.681 16.223 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.179 11.979 16.277 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.500 14.265 14.379 1.00 0.00 H new ATOM 0 HD2 PHE C 77 29.943 10.444 16.262 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.853 13.670 13.872 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.297 9.849 15.757 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.753 11.465 14.566 1.00 0.00 H new ATOM 1170 N LEU C 78 28.012 10.618 13.541 1.00 0.00 N ATOM 1171 CA LEU C 78 28.421 9.563 12.615 1.00 0.00 C ATOM 1172 C LEU C 78 27.832 9.808 11.231 1.00 0.00 C ATOM 1173 O LEU C 78 28.492 9.579 10.215 1.00 0.00 O ATOM 1174 CB LEU C 78 27.960 8.203 13.139 1.00 0.00 C ATOM 1175 CG LEU C 78 28.818 7.806 14.346 1.00 0.00 C ATOM 1176 CD1 LEU C 78 28.174 6.615 15.059 1.00 0.00 C ATOM 1177 CD2 LEU C 78 30.225 7.412 13.871 1.00 0.00 C ATOM 0 H LEU C 78 27.450 10.300 14.331 1.00 0.00 H new ATOM 0 HA LEU C 78 29.508 9.571 12.539 1.00 0.00 H new ATOM 0 HB2 LEU C 78 26.909 8.248 13.425 1.00 0.00 H new ATOM 0 HB3 LEU C 78 28.045 7.451 12.355 1.00 0.00 H new ATOM 0 HG LEU C 78 28.888 8.650 15.032 1.00 0.00 H new ATOM 0 HD11 LEU C 78 28.783 6.332 15.917 1.00 0.00 H new ATOM 0 HD12 LEU C 78 27.175 6.890 15.398 1.00 0.00 H new ATOM 0 HD13 LEU C 78 28.104 5.773 14.370 1.00 0.00 H new ATOM 0 HD21 LEU C 78 30.833 7.130 14.730 1.00 0.00 H new ATOM 0 HD22 LEU C 78 30.154 6.569 13.184 1.00 0.00 H new ATOM 0 HD23 LEU C 78 30.687 8.257 13.361 1.00 0.00 H new ATOM 1189 N VAL C 79 26.589 10.270 11.199 1.00 0.00 N ATOM 1190 CA VAL C 79 25.920 10.546 9.933 1.00 0.00 C ATOM 1191 C VAL C 79 26.610 11.688 9.194 1.00 0.00 C ATOM 1192 O VAL C 79 26.792 11.634 7.980 1.00 0.00 O ATOM 1193 CB VAL C 79 24.454 10.905 10.179 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.808 11.356 8.868 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.711 9.683 10.721 1.00 0.00 C ATOM 0 H VAL C 79 26.026 10.461 12.028 1.00 0.00 H new ATOM 0 HA VAL C 79 25.974 9.648 9.317 1.00 0.00 H new ATOM 0 HB VAL C 79 24.399 11.715 10.906 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.763 11.611 9.046 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.335 12.230 8.485 1.00 0.00 H new ATOM 0 HG13 VAL C 79 23.865 10.549 8.138 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.666 9.940 10.896 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.768 8.871 9.996 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.168 9.365 11.658 1.00 0.00 H new ATOM 1205 N MET C 80 26.999 12.715 9.938 1.00 0.00 N ATOM 1206 CA MET C 80 27.669 13.866 9.351 1.00 0.00 C ATOM 1207 C MET C 80 28.993 13.448 8.730 1.00 0.00 C ATOM 1208 O MET C 80 29.364 13.922 7.656 1.00 0.00 O ATOM 1209 CB MET C 80 27.911 14.934 10.420 1.00 0.00 C ATOM 1210 CG MET C 80 28.618 16.140 9.791 1.00 0.00 C ATOM 1211 SD MET C 80 28.834 17.438 11.034 1.00 0.00 S ATOM 1212 CE MET C 80 30.200 16.667 11.942 1.00 0.00 C ATOM 0 H MET C 80 26.862 12.774 10.947 1.00 0.00 H new ATOM 0 HA MET C 80 27.030 14.280 8.571 1.00 0.00 H new ATOM 0 HB2 MET C 80 26.963 15.244 10.860 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.518 14.524 11.227 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.587 15.839 9.394 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.034 16.520 8.953 1.00 0.00 H new ATOM 0 HE1 MET C 80 29.878 16.436 12.957 1.00 0.00 H new ATOM 0 HE2 MET C 80 30.498 15.748 11.438 1.00 0.00 H new ATOM 0 HE3 MET C 80 31.047 17.353 11.977 1.00 0.00 H new ATOM 1222 N MET C 81 29.703 12.566 9.419 1.00 0.00 N ATOM 1223 CA MET C 81 30.999 12.096 8.925 1.00 0.00 C ATOM 1224 C MET C 81 30.826 11.267 7.657 1.00 0.00 C ATOM 1225 O MET C 81 31.552 11.447 6.680 1.00 0.00 O ATOM 1226 CB MET C 81 31.690 11.254 9.998 1.00 0.00 C ATOM 1227 CG MET C 81 32.571 12.152 10.870 1.00 0.00 C ATOM 1228 SD MET C 81 34.019 12.680 9.918 1.00 0.00 S ATOM 1229 CE MET C 81 34.731 13.771 11.174 1.00 0.00 C ATOM 0 H MET C 81 29.413 12.163 10.310 1.00 0.00 H new ATOM 0 HA MET C 81 31.613 12.966 8.692 1.00 0.00 H new ATOM 0 HB2 MET C 81 30.945 10.750 10.614 1.00 0.00 H new ATOM 0 HB3 MET C 81 32.295 10.477 9.531 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.005 13.021 11.204 1.00 0.00 H new ATOM 0 HG3 MET C 81 32.886 11.614 11.764 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.651 14.214 10.792 1.00 0.00 H new ATOM 0 HE2 MET C 81 34.020 14.562 11.414 1.00 0.00 H new ATOM 0 HE3 MET C 81 34.951 13.196 12.073 1.00 0.00 H new ATOM 1239 N VAL C 82 29.852 10.366 7.679 1.00 0.00 N ATOM 1240 CA VAL C 82 29.581 9.518 6.527 1.00 0.00 C ATOM 1241 C VAL C 82 29.030 10.347 5.371 1.00 0.00 C ATOM 1242 O VAL C 82 29.366 10.111 4.210 1.00 0.00 O ATOM 1243 CB VAL C 82 28.584 8.421 6.901 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.193 7.635 5.648 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.226 7.474 7.917 1.00 0.00 C ATOM 0 H VAL C 82 29.239 10.205 8.478 1.00 0.00 H new ATOM 0 HA VAL C 82 30.517 9.056 6.212 1.00 0.00 H new ATOM 0 HB VAL C 82 27.694 8.874 7.337 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.482 6.853 5.916 1.00 0.00 H new ATOM 0 HG12 VAL C 82 27.735 8.309 4.924 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.083 7.182 5.210 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.516 6.691 8.184 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.117 7.022 7.481 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.503 8.033 8.811 1.00 0.00 H new ATOM 1255 N ARG C 83 28.163 11.309 5.692 1.00 0.00 N ATOM 1256 CA ARG C 83 27.558 12.148 4.672 1.00 0.00 C ATOM 1257 C ARG C 83 28.631 12.893 3.890 1.00 0.00 C ATOM 1258 O ARG C 83 28.584 12.955 2.662 1.00 0.00 O ATOM 1259 CB ARG C 83 26.608 13.153 5.326 1.00 0.00 C ATOM 1260 CG ARG C 83 25.907 13.973 4.243 1.00 0.00 C ATOM 1261 CD ARG C 83 24.822 14.835 4.882 1.00 0.00 C ATOM 1262 NE ARG C 83 24.177 15.668 3.870 1.00 0.00 N ATOM 1263 CZ ARG C 83 23.087 16.376 4.151 1.00 0.00 C ATOM 1264 NH1 ARG C 83 22.573 16.335 5.349 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.531 17.112 3.227 1.00 0.00 N1+ ATOM 0 H ARG C 83 27.869 11.521 6.646 1.00 0.00 H new ATOM 0 HA ARG C 83 27.000 11.513 3.984 1.00 0.00 H new ATOM 0 HB2 ARG C 83 25.871 12.629 5.935 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.163 13.812 5.994 1.00 0.00 H new ATOM 0 HG2 ARG C 83 26.629 14.603 3.724 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.468 13.311 3.497 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.081 14.199 5.366 1.00 0.00 H new ATOM 0 HD3 ARG C 83 25.258 15.465 5.658 1.00 0.00 H new ATOM 0 HE ARG C 83 24.570 15.707 2.930 1.00 0.00 H new ATOM 0 HH11 ARG C 83 23.007 15.760 6.071 1.00 0.00 H new ATOM 0 HH12 ARG C 83 21.737 16.878 5.564 1.00 0.00 H new ATOM 0 HH21 ARG C 83 22.933 17.144 2.290 1.00 0.00 H new ATOM 0 HH22 ARG C 83 21.695 17.655 3.442 1.00 0.00 H new ATOM 1279 N CYS C 84 29.601 13.451 4.605 1.00 0.00 N ATOM 1280 CA CYS C 84 30.681 14.185 3.958 1.00 0.00 C ATOM 1281 C CYS C 84 31.496 13.258 3.058 1.00 0.00 C ATOM 1282 O CYS C 84 31.867 13.628 1.945 1.00 0.00 O ATOM 1283 CB CYS C 84 31.598 14.799 5.019 1.00 0.00 C ATOM 1284 SG CYS C 84 30.723 16.135 5.871 1.00 0.00 S ATOM 0 H CYS C 84 29.662 13.410 5.622 1.00 0.00 H new ATOM 0 HA CYS C 84 30.245 14.976 3.347 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.906 14.037 5.735 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.505 15.183 4.553 1.00 0.00 H new ATOM 0 HG CYS C 84 29.957 15.633 6.793 1.00 0.00 H new ATOM 1290 N MET C 85 31.774 12.053 3.552 1.00 0.00 N ATOM 1291 CA MET C 85 32.548 11.085 2.782 1.00 0.00 C ATOM 1292 C MET C 85 31.787 10.657 1.532 1.00 0.00 C ATOM 1293 O MET C 85 32.363 10.539 0.451 1.00 0.00 O ATOM 1294 CB MET C 85 32.844 9.857 3.644 1.00 0.00 C ATOM 1295 CG MET C 85 33.817 10.242 4.762 1.00 0.00 C ATOM 1296 SD MET C 85 33.938 8.894 5.965 1.00 0.00 S ATOM 1297 CE MET C 85 35.123 7.871 5.062 1.00 0.00 C ATOM 0 H MET C 85 31.478 11.727 4.472 1.00 0.00 H new ATOM 0 HA MET C 85 33.483 11.555 2.478 1.00 0.00 H new ATOM 0 HB2 MET C 85 31.920 9.467 4.070 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.272 9.064 3.031 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.800 10.456 4.343 1.00 0.00 H new ATOM 0 HG3 MET C 85 33.476 11.152 5.256 1.00 0.00 H new ATOM 0 HE1 MET C 85 35.381 6.998 5.661 1.00 0.00 H new ATOM 0 HE2 MET C 85 34.680 7.547 4.120 1.00 0.00 H new ATOM 0 HE3 MET C 85 36.024 8.451 4.859 1.00 0.00 H new ATOM 1307 N LYS C 86 30.486 10.429 1.689 1.00 0.00 N ATOM 1308 CA LYS C 86 29.653 10.018 0.568 1.00 0.00 C ATOM 1309 C LYS C 86 29.258 11.212 -0.283 1.00 0.00 C ATOM 1310 O LYS C 86 28.883 11.056 -1.442 1.00 0.00 O ATOM 1311 CB LYS C 86 28.392 9.316 1.080 1.00 0.00 C ATOM 1312 CG LYS C 86 28.551 7.804 0.929 1.00 0.00 C ATOM 1313 CD LYS C 86 28.552 7.423 -0.558 1.00 0.00 C ATOM 1314 CE LYS C 86 27.750 6.141 -0.760 1.00 0.00 C ATOM 1315 NZ LYS C 86 26.329 6.381 -0.379 1.00 0.00 N1+ ATOM 0 H LYS C 86 29.991 10.522 2.576 1.00 0.00 H new ATOM 0 HA LYS C 86 30.231 9.328 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS C 86 28.220 9.571 2.126 1.00 0.00 H new ATOM 0 HB3 LYS C 86 27.521 9.658 0.521 1.00 0.00 H new ATOM 0 HG2 LYS C 86 29.480 7.479 1.397 1.00 0.00 H new ATOM 0 HG3 LYS C 86 27.739 7.291 1.444 1.00 0.00 H new ATOM 0 HD2 LYS C 86 28.121 8.230 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS C 86 29.575 7.282 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS C 86 27.810 5.821 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS C 86 28.170 5.337 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 25.758 5.548 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 26.268 6.551 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 25.968 7.212 -0.890 1.00 0.00 H new ATOM 1329 N ASP C 87 29.344 12.396 0.304 1.00 0.00 N ATOM 1330 CA ASP C 87 28.995 13.625 -0.406 1.00 0.00 C ATOM 1331 C ASP C 87 27.499 13.664 -0.706 1.00 0.00 C ATOM 1332 O ASP C 87 26.674 13.518 0.194 1.00 0.00 O ATOM 1333 CB ASP C 87 29.785 13.714 -1.717 1.00 0.00 C ATOM 1334 CG ASP C 87 31.241 13.339 -1.471 1.00 0.00 C ATOM 1335 OD1 ASP C 87 31.828 13.887 -0.553 1.00 0.00 O ATOM 1336 OD2 ASP C 87 31.748 12.507 -2.205 1.00 0.00 O1- ATOM 0 H ASP C 87 29.651 12.536 1.267 1.00 0.00 H new ATOM 0 HA ASP C 87 29.249 14.474 0.229 1.00 0.00 H new ATOM 0 HB2 ASP C 87 29.349 13.047 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP C 87 29.724 14.725 -2.121 1.00 0.00 H new ATOM 1341 N ASP C 88 27.155 13.863 -1.973 1.00 0.00 N ATOM 1342 CA ASP C 88 25.764 13.922 -2.376 1.00 0.00 C ATOM 1343 C ASP C 88 25.227 12.522 -2.652 1.00 0.00 C ATOM 1344 O ASP C 88 24.964 12.158 -3.797 1.00 0.00 O ATOM 1345 CB ASP C 88 25.622 14.776 -3.642 1.00 0.00 C ATOM 1346 CG ASP C 88 25.885 16.243 -3.313 1.00 0.00 C ATOM 1347 OD1 ASP C 88 25.916 16.570 -2.139 1.00 0.00 O ATOM 1348 OD2 ASP C 88 26.050 17.017 -4.242 1.00 0.00 O1- ATOM 0 H ASP C 88 27.823 13.986 -2.734 1.00 0.00 H new ATOM 0 HA ASP C 88 25.190 14.370 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP C 88 26.324 14.434 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP C 88 24.621 14.662 -4.058 1.00 0.00 H new ATOM 1353 N SER C 89 25.055 11.752 -1.590 1.00 0.00 N ATOM 1354 CA SER C 89 24.535 10.391 -1.716 1.00 0.00 C ATOM 1355 C SER C 89 25.420 9.563 -2.644 1.00 0.00 C ATOM 1356 O SER C 89 25.350 8.348 -2.569 1.00 0.00 O ATOM 1357 CB SER C 89 23.109 10.428 -2.268 1.00 0.00 C ATOM 1358 OG SER C 89 22.530 9.133 -2.164 1.00 0.00 O ATOM 1359 OXT SER C 89 26.154 10.157 -3.416 1.00 0.00 O ATOM 0 H SER C 89 25.265 12.039 -0.634 1.00 0.00 H new ATOM 0 HA SER C 89 24.532 9.930 -0.728 1.00 0.00 H new ATOM 0 HB2 SER C 89 22.511 11.152 -1.714 1.00 0.00 H new ATOM 0 HB3 SER C 89 23.118 10.752 -3.309 1.00 0.00 H new ATOM 0 HG SER C 89 21.616 9.154 -2.516 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 144 41.343 26.376 -10.514 1.00 0.00 N ATOM 1367 CA ARG I 144 42.117 25.985 -9.304 1.00 0.00 C ATOM 1368 C ARG I 144 41.186 25.325 -8.296 1.00 0.00 C ATOM 1369 O ARG I 144 40.102 25.832 -8.013 1.00 0.00 O ATOM 1370 CB ARG I 144 42.757 27.232 -8.686 1.00 0.00 C ATOM 1371 CG ARG I 144 44.218 27.339 -9.135 1.00 0.00 C ATOM 1372 CD ARG I 144 44.869 28.550 -8.469 1.00 0.00 C ATOM 1373 NE ARG I 144 46.247 28.698 -8.924 1.00 0.00 N ATOM 1374 CZ ARG I 144 47.236 28.018 -8.354 1.00 0.00 C ATOM 1375 NH1 ARG I 144 46.985 27.205 -7.365 1.00 0.00 N ATOM 1376 NH2 ARG I 144 48.460 28.166 -8.782 1.00 0.00 N1+ ATOM 0 HA ARG I 144 42.900 25.279 -9.581 1.00 0.00 H new ATOM 0 HB2 ARG I 144 42.207 28.123 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG I 144 42.704 27.179 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG I 144 44.758 26.430 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG I 144 44.270 27.435 -10.219 1.00 0.00 H new ATOM 0 HD2 ARG I 144 44.302 29.451 -8.704 1.00 0.00 H new ATOM 0 HD3 ARG I 144 44.847 28.433 -7.385 1.00 0.00 H new ATOM 0 HE ARG I 144 46.455 29.335 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG I 144 46.029 27.091 -7.029 1.00 0.00 H new ATOM 0 HH12 ARG I 144 47.745 26.683 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG I 144 48.657 28.803 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG I 144 49.220 27.644 -8.345 1.00 0.00 H new ATOM 1392 N ARG I 145 41.619 24.191 -7.754 1.00 0.00 N ATOM 1393 CA ARG I 145 40.815 23.470 -6.775 1.00 0.00 C ATOM 1394 C ARG I 145 40.687 24.274 -5.485 1.00 0.00 C ATOM 1395 O ARG I 145 41.615 24.976 -5.085 1.00 0.00 O ATOM 1396 CB ARG I 145 41.456 22.114 -6.471 1.00 0.00 C ATOM 1397 CG ARG I 145 42.956 22.299 -6.235 1.00 0.00 C ATOM 1398 CD ARG I 145 43.522 21.063 -5.535 1.00 0.00 C ATOM 1399 NE ARG I 145 44.975 21.157 -5.440 1.00 0.00 N ATOM 1400 CZ ARG I 145 45.555 21.909 -4.511 1.00 0.00 C ATOM 1401 NH1 ARG I 145 44.825 22.581 -3.665 1.00 0.00 N ATOM 1402 NH2 ARG I 145 46.857 21.976 -4.446 1.00 0.00 N1+ ATOM 0 H ARG I 145 42.514 23.755 -7.974 1.00 0.00 H new ATOM 0 HA ARG I 145 39.820 23.318 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG I 145 40.991 21.669 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG I 145 41.290 21.427 -7.301 1.00 0.00 H new ATOM 0 HG2 ARG I 145 43.467 22.457 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG I 145 43.132 23.186 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG I 145 43.091 20.971 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG I 145 43.244 20.165 -6.086 1.00 0.00 H new ATOM 0 HE ARG I 145 45.555 20.637 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG I 145 43.808 22.530 -3.716 1.00 0.00 H new ATOM 0 HH12 ARG I 145 45.271 23.158 -2.952 1.00 0.00 H new ATOM 0 HH21 ARG I 145 47.428 21.451 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG I 145 47.303 22.553 -3.733 1.00 0.00 H new ATOM 1416 N VAL I 146 39.534 24.158 -4.835 1.00 0.00 N ATOM 1417 CA VAL I 146 39.298 24.871 -3.585 1.00 0.00 C ATOM 1418 C VAL I 146 38.061 24.322 -2.882 1.00 0.00 C ATOM 1419 O VAL I 146 36.933 24.682 -3.219 1.00 0.00 O ATOM 1420 CB VAL I 146 39.114 26.363 -3.860 1.00 0.00 C ATOM 1421 CG1 VAL I 146 37.949 26.564 -4.831 1.00 0.00 C ATOM 1422 CG2 VAL I 146 38.813 27.090 -2.547 1.00 0.00 C ATOM 0 H VAL I 146 38.754 23.582 -5.150 1.00 0.00 H new ATOM 0 HA VAL I 146 40.163 24.728 -2.937 1.00 0.00 H new ATOM 0 HB VAL I 146 40.027 26.766 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL I 146 37.818 27.628 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL I 146 38.162 26.046 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL I 146 37.036 26.161 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL I 146 38.682 28.154 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL I 146 37.900 26.686 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL I 146 39.642 26.948 -1.854 1.00 0.00 H new ATOM 1432 N ARG I 147 38.280 23.457 -1.898 1.00 0.00 N ATOM 1433 CA ARG I 147 37.175 22.869 -1.146 1.00 0.00 C ATOM 1434 C ARG I 147 37.650 22.377 0.216 1.00 0.00 C ATOM 1435 O ARG I 147 38.793 21.943 0.365 1.00 0.00 O ATOM 1436 CB ARG I 147 36.571 21.706 -1.932 1.00 0.00 C ATOM 1437 CG ARG I 147 37.694 20.873 -2.554 1.00 0.00 C ATOM 1438 CD ARG I 147 37.153 19.498 -2.945 1.00 0.00 C ATOM 1439 NE ARG I 147 38.110 18.805 -3.801 1.00 0.00 N ATOM 1440 CZ ARG I 147 39.190 18.220 -3.295 1.00 0.00 C ATOM 1441 NH1 ARG I 147 39.413 18.261 -2.012 1.00 0.00 N ATOM 1442 NH2 ARG I 147 40.029 17.607 -4.083 1.00 0.00 N1+ ATOM 0 H ARG I 147 39.206 23.148 -1.603 1.00 0.00 H new ATOM 0 HA ARG I 147 36.416 23.637 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG I 147 35.964 21.084 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG I 147 35.910 22.084 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG I 147 38.095 21.381 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG I 147 38.515 20.764 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG I 147 36.960 18.907 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG I 147 36.202 19.608 -3.465 1.00 0.00 H new ATOM 0 HE ARG I 147 37.947 18.769 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG I 147 38.758 18.742 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG I 147 40.242 17.812 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG I 147 39.856 17.577 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG I 147 40.858 17.158 -3.695 1.00 0.00 H new ATOM 1456 N ILE I 148 36.771 22.460 1.212 1.00 0.00 N ATOM 1457 CA ILE I 148 37.123 22.029 2.559 1.00 0.00 C ATOM 1458 C ILE I 148 37.464 20.546 2.576 1.00 0.00 C ATOM 1459 O ILE I 148 38.515 20.154 3.079 1.00 0.00 O ATOM 1460 CB ILE I 148 35.951 22.290 3.507 1.00 0.00 C ATOM 1461 CG1 ILE I 148 35.741 23.800 3.651 1.00 0.00 C ATOM 1462 CG2 ILE I 148 36.260 21.689 4.881 1.00 0.00 C ATOM 1463 CD1 ILE I 148 34.416 24.067 4.368 1.00 0.00 C ATOM 0 H ILE I 148 35.821 22.818 1.112 1.00 0.00 H new ATOM 0 HA ILE I 148 37.995 22.595 2.886 1.00 0.00 H new ATOM 0 HB ILE I 148 35.049 21.831 3.103 1.00 0.00 H new ATOM 0 HG12 ILE I 148 36.565 24.240 4.212 1.00 0.00 H new ATOM 0 HG13 ILE I 148 35.736 24.272 2.669 1.00 0.00 H new ATOM 0 HG21 ILE I 148 35.425 21.875 5.556 1.00 0.00 H new ATOM 0 HG22 ILE I 148 36.414 20.614 4.782 1.00 0.00 H new ATOM 0 HG23 ILE I 148 37.162 22.149 5.285 1.00 0.00 H new ATOM 0 HD11 ILE I 148 34.268 25.142 4.470 1.00 0.00 H new ATOM 0 HD12 ILE I 148 33.597 23.641 3.789 1.00 0.00 H new ATOM 0 HD13 ILE I 148 34.438 23.609 5.357 1.00 0.00 H new ATOM 1475 N SER I 149 36.582 19.732 1.998 1.00 0.00 N ATOM 1476 CA SER I 149 36.806 18.292 1.940 1.00 0.00 C ATOM 1477 C SER I 149 37.071 17.726 3.337 1.00 0.00 C ATOM 1478 O SER I 149 37.603 18.408 4.212 1.00 0.00 O ATOM 1479 CB SER I 149 37.997 17.988 1.032 1.00 0.00 C ATOM 1480 OG SER I 149 38.059 16.590 0.785 1.00 0.00 O ATOM 0 H SER I 149 35.712 20.044 1.567 1.00 0.00 H new ATOM 0 HA SER I 149 35.909 17.822 1.537 1.00 0.00 H new ATOM 0 HB2 SER I 149 37.899 18.530 0.092 1.00 0.00 H new ATOM 0 HB3 SER I 149 38.921 18.327 1.500 1.00 0.00 H new ATOM 0 HG SER I 149 38.822 16.394 0.201 1.00 0.00 H new ATOM 1486 N ALA I 150 36.708 16.468 3.535 1.00 0.00 N ATOM 1487 CA ALA I 150 36.917 15.820 4.824 1.00 0.00 C ATOM 1488 C ALA I 150 38.408 15.723 5.133 1.00 0.00 C ATOM 1489 O ALA I 150 38.802 15.527 6.283 1.00 0.00 O ATOM 1490 CB ALA I 150 36.299 14.423 4.816 1.00 0.00 C ATOM 0 H ALA I 150 36.271 15.878 2.827 1.00 0.00 H new ATOM 0 HA ALA I 150 36.435 16.420 5.596 1.00 0.00 H new ATOM 0 HB1 ALA I 150 36.461 13.948 5.784 1.00 0.00 H new ATOM 0 HB2 ALA I 150 35.229 14.500 4.624 1.00 0.00 H new ATOM 0 HB3 ALA I 150 36.766 13.823 4.035 1.00 0.00 H new ATOM 1496 N ASP I 151 39.234 15.854 4.100 1.00 0.00 N ATOM 1497 CA ASP I 151 40.679 15.773 4.277 1.00 0.00 C ATOM 1498 C ASP I 151 41.159 16.854 5.239 1.00 0.00 C ATOM 1499 O ASP I 151 42.008 16.602 6.094 1.00 0.00 O ATOM 1500 CB ASP I 151 41.378 15.951 2.926 1.00 0.00 C ATOM 1501 CG ASP I 151 41.161 14.715 2.060 1.00 0.00 C ATOM 1502 OD1 ASP I 151 40.725 13.710 2.595 1.00 0.00 O ATOM 1503 OD2 ASP I 151 41.432 14.793 0.873 1.00 0.00 O1- ATOM 0 H ASP I 151 38.931 16.015 3.140 1.00 0.00 H new ATOM 0 HA ASP I 151 40.923 14.795 4.691 1.00 0.00 H new ATOM 0 HB2 ASP I 151 40.988 16.834 2.419 1.00 0.00 H new ATOM 0 HB3 ASP I 151 42.445 16.116 3.078 1.00 0.00 H new ATOM 1508 N ALA I 152 40.596 18.052 5.107 1.00 0.00 N ATOM 1509 CA ALA I 152 40.969 19.157 5.984 1.00 0.00 C ATOM 1510 C ALA I 152 40.589 18.846 7.430 1.00 0.00 C ATOM 1511 O ALA I 152 41.346 19.132 8.358 1.00 0.00 O ATOM 1512 CB ALA I 152 40.270 20.440 5.533 1.00 0.00 C ATOM 0 H ALA I 152 39.888 18.281 4.409 1.00 0.00 H new ATOM 0 HA ALA I 152 42.049 19.294 5.927 1.00 0.00 H new ATOM 0 HB1 ALA I 152 40.554 21.260 6.193 1.00 0.00 H new ATOM 0 HB2 ALA I 152 40.567 20.677 4.511 1.00 0.00 H new ATOM 0 HB3 ALA I 152 39.190 20.299 5.573 1.00 0.00 H new ATOM 1518 N MET I 153 39.407 18.263 7.613 1.00 0.00 N ATOM 1519 CA MET I 153 38.934 17.919 8.949 1.00 0.00 C ATOM 1520 C MET I 153 39.819 16.842 9.568 1.00 0.00 C ATOM 1521 O MET I 153 40.133 16.891 10.756 1.00 0.00 O ATOM 1522 CB MET I 153 37.491 17.418 8.877 1.00 0.00 C ATOM 1523 CG MET I 153 36.572 18.568 8.458 1.00 0.00 C ATOM 1524 SD MET I 153 34.895 17.938 8.203 1.00 0.00 S ATOM 1525 CE MET I 153 34.196 19.443 7.480 1.00 0.00 C ATOM 0 H MET I 153 38.764 18.021 6.859 1.00 0.00 H new ATOM 0 HA MET I 153 38.978 18.812 9.573 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.415 16.598 8.162 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.182 17.026 9.846 1.00 0.00 H new ATOM 0 HG2 MET I 153 36.568 19.343 9.225 1.00 0.00 H new ATOM 0 HG3 MET I 153 36.942 19.028 7.542 1.00 0.00 H new ATOM 0 HE1 MET I 153 33.146 19.278 7.240 1.00 0.00 H new ATOM 0 HE2 MET I 153 34.281 20.263 8.193 1.00 0.00 H new ATOM 0 HE3 MET I 153 34.740 19.696 6.570 1.00 0.00 H new ATOM 1535 N MET I 154 40.217 15.869 8.751 1.00 0.00 N ATOM 1536 CA MET I 154 41.066 14.784 9.233 1.00 0.00 C ATOM 1537 C MET I 154 42.400 15.328 9.728 1.00 0.00 C ATOM 1538 O MET I 154 42.899 14.913 10.769 1.00 0.00 O ATOM 1539 CB MET I 154 41.314 13.781 8.104 1.00 0.00 C ATOM 1540 CG MET I 154 40.030 13.004 7.813 1.00 0.00 C ATOM 1541 SD MET I 154 39.680 11.882 9.189 1.00 0.00 S ATOM 1542 CE MET I 154 38.219 11.092 8.470 1.00 0.00 C ATOM 0 H MET I 154 39.968 15.810 7.764 1.00 0.00 H new ATOM 0 HA MET I 154 40.558 14.288 10.060 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.645 14.304 7.207 1.00 0.00 H new ATOM 0 HB3 MET I 154 42.111 13.093 8.385 1.00 0.00 H new ATOM 0 HG2 MET I 154 39.198 13.694 7.672 1.00 0.00 H new ATOM 0 HG3 MET I 154 40.136 12.439 6.887 1.00 0.00 H new ATOM 0 HE1 MET I 154 37.829 10.347 9.164 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.455 11.845 8.279 1.00 0.00 H new ATOM 0 HE3 MET I 154 38.492 10.607 7.533 1.00 0.00 H new ATOM 1552 N GLN I 155 42.968 16.266 8.979 1.00 0.00 N ATOM 1553 CA GLN I 155 44.239 16.864 9.362 1.00 0.00 C ATOM 1554 C GLN I 155 44.089 17.687 10.637 1.00 0.00 C ATOM 1555 O GLN I 155 44.949 17.650 11.518 1.00 0.00 O ATOM 1556 CB GLN I 155 44.757 17.761 8.233 1.00 0.00 C ATOM 1557 CG GLN I 155 46.168 18.253 8.569 1.00 0.00 C ATOM 1558 CD GLN I 155 46.094 19.430 9.536 1.00 0.00 C ATOM 1559 OE1 GLN I 155 45.127 20.192 9.516 1.00 0.00 O ATOM 1560 NE2 GLN I 155 47.061 19.623 10.389 1.00 0.00 N ATOM 0 H GLN I 155 42.572 16.626 8.111 1.00 0.00 H new ATOM 0 HA GLN I 155 44.952 16.060 9.546 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.768 17.209 7.293 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.089 18.611 8.095 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.748 17.444 9.012 1.00 0.00 H new ATOM 0 HG3 GLN I 155 46.684 18.553 7.657 1.00 0.00 H new ATOM 0 HE21 GLN I 155 47.861 18.991 10.404 1.00 0.00 H new ATOM 0 HE22 GLN I 155 47.017 20.406 11.041 1.00 0.00 H new ATOM 1569 N ALA I 156 42.994 18.437 10.725 1.00 0.00 N ATOM 1570 CA ALA I 156 42.744 19.270 11.895 1.00 0.00 C ATOM 1571 C ALA I 156 42.575 18.415 13.145 1.00 0.00 C ATOM 1572 O ALA I 156 43.095 18.746 14.210 1.00 0.00 O ATOM 1573 CB ALA I 156 41.485 20.111 11.675 1.00 0.00 C ATOM 0 H ALA I 156 42.272 18.485 10.006 1.00 0.00 H new ATOM 0 HA ALA I 156 43.603 19.926 12.037 1.00 0.00 H new ATOM 0 HB1 ALA I 156 41.304 20.731 12.553 1.00 0.00 H new ATOM 0 HB2 ALA I 156 41.622 20.749 10.802 1.00 0.00 H new ATOM 0 HB3 ALA I 156 40.631 19.453 11.513 1.00 0.00 H new ATOM 1579 N LEU I 157 41.842 17.315 13.007 1.00 0.00 N ATOM 1580 CA LEU I 157 41.602 16.418 14.130 1.00 0.00 C ATOM 1581 C LEU I 157 42.451 15.158 14.006 1.00 0.00 C ATOM 1582 O LEU I 157 43.243 15.024 13.078 1.00 0.00 O ATOM 1583 CB LEU I 157 40.121 16.037 14.189 1.00 0.00 C ATOM 1584 CG LEU I 157 39.425 16.855 15.278 1.00 0.00 C ATOM 1585 CD1 LEU I 157 39.618 18.347 15.001 1.00 0.00 C ATOM 1586 CD2 LEU I 157 37.929 16.528 15.281 1.00 0.00 C ATOM 0 H LEU I 157 41.406 17.025 12.132 1.00 0.00 H new ATOM 0 HA LEU I 157 41.880 16.937 15.048 1.00 0.00 H new ATOM 0 HB2 LEU I 157 39.649 16.221 13.224 1.00 0.00 H new ATOM 0 HB3 LEU I 157 40.017 14.972 14.397 1.00 0.00 H new ATOM 0 HG LEU I 157 39.856 16.608 16.248 1.00 0.00 H new ATOM 0 HD11 LEU I 157 39.121 18.928 15.778 1.00 0.00 H new ATOM 0 HD12 LEU I 157 40.682 18.582 14.997 1.00 0.00 H new ATOM 0 HD13 LEU I 157 39.188 18.596 14.031 1.00 0.00 H new ATOM 0 HD21 LEU I 157 37.431 17.110 16.056 1.00 0.00 H new ATOM 0 HD22 LEU I 157 37.500 16.776 14.310 1.00 0.00 H new ATOM 0 HD23 LEU I 157 37.789 15.465 15.479 1.00 0.00 H new ATOM 1598 N LEU I 158 42.284 14.242 14.952 1.00 0.00 N ATOM 1599 CA LEU I 158 43.043 12.997 14.938 1.00 0.00 C ATOM 1600 C LEU I 158 44.527 13.278 14.726 1.00 0.00 C ATOM 1601 O LEU I 158 45.120 14.091 15.435 1.00 0.00 O ATOM 1602 CB LEU I 158 42.531 12.088 13.817 1.00 0.00 C ATOM 1603 CG LEU I 158 41.062 11.741 14.073 1.00 0.00 C ATOM 1604 CD1 LEU I 158 40.507 10.960 12.882 1.00 0.00 C ATOM 1605 CD2 LEU I 158 40.949 10.884 15.340 1.00 0.00 C ATOM 0 H LEU I 158 41.635 14.336 15.733 1.00 0.00 H new ATOM 0 HA LEU I 158 42.911 12.501 15.900 1.00 0.00 H new ATOM 0 HB2 LEU I 158 42.635 12.587 12.853 1.00 0.00 H new ATOM 0 HB3 LEU I 158 43.128 11.177 13.771 1.00 0.00 H new ATOM 0 HG LEU I 158 40.492 12.661 14.204 1.00 0.00 H new ATOM 0 HD11 LEU I 158 39.461 10.713 13.064 1.00 0.00 H new ATOM 0 HD12 LEU I 158 40.584 11.568 11.980 1.00 0.00 H new ATOM 0 HD13 LEU I 158 41.079 10.042 12.751 1.00 0.00 H new ATOM 0 HD21 LEU I 158 39.903 10.638 15.521 1.00 0.00 H new ATOM 0 HD22 LEU I 158 41.521 9.965 15.210 1.00 0.00 H new ATOM 0 HD23 LEU I 158 41.343 11.439 16.191 1.00 0.00 H new ATOM 1617 N GLY I 159 45.120 12.603 13.745 1.00 0.00 N ATOM 1618 CA GLY I 159 46.535 12.791 13.450 1.00 0.00 C ATOM 1619 C GLY I 159 46.783 14.166 12.841 1.00 0.00 C ATOM 1620 O GLY I 159 45.941 14.696 12.115 1.00 0.00 O ATOM 0 H GLY I 159 44.646 11.927 13.146 1.00 0.00 H new ATOM 0 HA2 GLY I 159 47.119 12.682 14.364 1.00 0.00 H new ATOM 0 HA3 GLY I 159 46.874 12.017 12.761 1.00 0.00 H new ATOM 1624 N ALA I 160 47.944 14.740 13.141 1.00 0.00 N ATOM 1625 CA ALA I 160 48.294 16.055 12.616 1.00 0.00 C ATOM 1626 C ALA I 160 48.965 15.930 11.251 1.00 0.00 C ATOM 1627 O ALA I 160 49.058 16.902 10.504 1.00 0.00 O ATOM 1628 CB ALA I 160 49.234 16.771 13.586 1.00 0.00 C ATOM 0 H ALA I 160 48.654 14.319 13.740 1.00 0.00 H new ATOM 0 HA ALA I 160 47.378 16.634 12.503 1.00 0.00 H new ATOM 0 HB1 ALA I 160 49.491 17.752 13.187 1.00 0.00 H new ATOM 0 HB2 ALA I 160 48.740 16.890 14.550 1.00 0.00 H new ATOM 0 HB3 ALA I 160 50.142 16.182 13.714 1.00 0.00 H new ATOM 1634 N ARG I 161 49.431 14.727 10.936 1.00 0.00 N ATOM 1635 CA ARG I 161 50.092 14.484 9.660 1.00 0.00 C ATOM 1636 C ARG I 161 49.994 13.011 9.275 1.00 0.00 C ATOM 1637 O ARG I 161 49.989 12.134 10.138 1.00 0.00 O ATOM 1638 CB ARG I 161 51.564 14.895 9.750 1.00 0.00 C ATOM 1639 CG ARG I 161 52.182 14.301 11.018 1.00 0.00 C ATOM 1640 CD ARG I 161 53.662 14.005 10.776 1.00 0.00 C ATOM 1641 NE ARG I 161 53.806 12.842 9.907 1.00 0.00 N ATOM 1642 CZ ARG I 161 54.991 12.486 9.424 1.00 0.00 C ATOM 1643 NH1 ARG I 161 56.053 13.183 9.724 1.00 0.00 N ATOM 1644 NH2 ARG I 161 55.094 11.441 8.650 1.00 0.00 N1+ ATOM 0 H ARG I 161 49.364 13.910 11.542 1.00 0.00 H new ATOM 0 HA ARG I 161 49.594 15.079 8.895 1.00 0.00 H new ATOM 0 HB2 ARG I 161 52.105 14.545 8.871 1.00 0.00 H new ATOM 0 HB3 ARG I 161 51.649 15.982 9.765 1.00 0.00 H new ATOM 0 HG2 ARG I 161 52.071 14.997 11.849 1.00 0.00 H new ATOM 0 HG3 ARG I 161 51.658 13.386 11.296 1.00 0.00 H new ATOM 0 HD2 ARG I 161 54.144 14.870 10.321 1.00 0.00 H new ATOM 0 HD3 ARG I 161 54.164 13.823 11.726 1.00 0.00 H new ATOM 0 HE ARG I 161 52.981 12.292 9.666 1.00 0.00 H new ATOM 0 HH11 ARG I 161 55.973 14.000 10.329 1.00 0.00 H new ATOM 0 HH12 ARG I 161 56.963 12.910 9.354 1.00 0.00 H new ATOM 0 HH21 ARG I 161 54.264 10.896 8.415 1.00 0.00 H new ATOM 0 HH22 ARG I 161 56.004 11.168 8.280 1.00 0.00 H new ATOM 1658 N HIS I 162 49.921 12.749 7.976 1.00 0.00 N ATOM 1659 CA HIS I 162 49.829 11.379 7.484 1.00 0.00 C ATOM 1660 C HIS I 162 50.156 11.318 5.997 1.00 0.00 C ATOM 1661 O HIS I 162 50.115 12.335 5.305 1.00 0.00 O ATOM 1662 CB HIS I 162 48.423 10.832 7.730 1.00 0.00 C ATOM 1663 CG HIS I 162 47.418 11.716 7.046 1.00 0.00 C ATOM 1664 ND1 HIS I 162 47.163 11.632 5.687 1.00 0.00 N ATOM 1665 CD2 HIS I 162 46.595 12.707 7.523 1.00 0.00 C ATOM 1666 CE1 HIS I 162 46.221 12.549 5.395 1.00 0.00 C ATOM 1667 NE2 HIS I 162 45.841 13.232 6.478 1.00 0.00 N ATOM 0 H HIS I 162 49.924 13.462 7.247 1.00 0.00 H new ATOM 0 HA HIS I 162 50.553 10.768 8.023 1.00 0.00 H new ATOM 0 HB2 HIS I 162 48.346 9.813 7.351 1.00 0.00 H new ATOM 0 HB3 HIS I 162 48.219 10.790 8.800 1.00 0.00 H new ATOM 0 HD2 HIS I 162 46.541 13.030 8.552 1.00 0.00 H new ATOM 0 HE1 HIS I 162 45.821 12.712 4.405 1.00 0.00 H new ATOM 0 HE2 HIS I 162 45.147 13.978 6.528 1.00 0.00 H new ATOM 1676 N LYS I 163 50.469 10.121 5.512 1.00 0.00 N ATOM 1677 CA LYS I 163 50.789 9.933 4.101 1.00 0.00 C ATOM 1678 C LYS I 163 49.701 9.124 3.403 1.00 0.00 C ATOM 1679 O LYS I 163 49.638 9.083 2.174 1.00 0.00 O ATOM 1680 CB LYS I 163 52.133 9.219 3.961 1.00 0.00 C ATOM 1681 CG LYS I 163 53.254 10.140 4.445 1.00 0.00 C ATOM 1682 CD LYS I 163 54.600 9.426 4.302 1.00 0.00 C ATOM 1683 CE LYS I 163 55.722 10.347 4.784 1.00 0.00 C ATOM 1684 NZ LYS I 163 57.031 9.649 4.642 1.00 0.00 N1+ ATOM 0 H LYS I 163 50.508 9.270 6.072 1.00 0.00 H new ATOM 0 HA LYS I 163 50.849 10.914 3.629 1.00 0.00 H new ATOM 0 HB2 LYS I 163 52.129 8.297 4.542 1.00 0.00 H new ATOM 0 HB3 LYS I 163 52.301 8.939 2.921 1.00 0.00 H new ATOM 0 HG2 LYS I 163 53.257 11.063 3.865 1.00 0.00 H new ATOM 0 HG3 LYS I 163 53.087 10.418 5.486 1.00 0.00 H new ATOM 0 HD2 LYS I 163 54.598 8.504 4.883 1.00 0.00 H new ATOM 0 HD3 LYS I 163 54.766 9.147 3.262 1.00 0.00 H new ATOM 0 HE2 LYS I 163 55.725 11.270 4.204 1.00 0.00 H new ATOM 0 HE3 LYS I 163 55.557 10.626 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS I 163 57.795 10.274 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS I 163 57.025 8.780 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS I 163 57.188 9.405 3.643 1.00 0.00 H new ATOM 1698 N GLU I 164 48.850 8.478 4.194 1.00 0.00 N ATOM 1699 CA GLU I 164 47.772 7.669 3.638 1.00 0.00 C ATOM 1700 C GLU I 164 46.454 8.435 3.669 1.00 0.00 C ATOM 1701 O GLU I 164 45.589 8.167 4.502 1.00 0.00 O ATOM 1702 CB GLU I 164 47.630 6.371 4.438 1.00 0.00 C ATOM 1703 CG GLU I 164 48.851 5.483 4.194 1.00 0.00 C ATOM 1704 CD GLU I 164 48.770 4.235 5.065 1.00 0.00 C ATOM 1705 OE1 GLU I 164 47.843 4.145 5.853 1.00 0.00 O ATOM 1706 OE2 GLU I 164 49.641 3.390 4.938 1.00 0.00 O1- ATOM 0 H GLU I 164 48.885 8.498 5.213 1.00 0.00 H new ATOM 0 HA GLU I 164 48.016 7.434 2.602 1.00 0.00 H new ATOM 0 HB2 GLU I 164 47.537 6.595 5.501 1.00 0.00 H new ATOM 0 HB3 GLU I 164 46.721 5.847 4.142 1.00 0.00 H new ATOM 0 HG2 GLU I 164 48.901 5.200 3.143 1.00 0.00 H new ATOM 0 HG3 GLU I 164 49.763 6.035 4.419 1.00 0.00 H new ATOM 1713 N SER I 165 46.307 9.386 2.751 1.00 0.00 N ATOM 1714 CA SER I 165 45.089 10.184 2.677 1.00 0.00 C ATOM 1715 C SER I 165 43.917 9.327 2.212 1.00 0.00 C ATOM 1716 O SER I 165 44.072 8.471 1.341 1.00 0.00 O ATOM 1717 CB SER I 165 45.283 11.348 1.711 1.00 0.00 C ATOM 1718 OG SER I 165 44.076 12.095 1.628 1.00 0.00 O ATOM 0 H SER I 165 47.012 9.621 2.052 1.00 0.00 H new ATOM 0 HA SER I 165 44.872 10.572 3.672 1.00 0.00 H new ATOM 0 HB2 SER I 165 46.097 11.987 2.052 1.00 0.00 H new ATOM 0 HB3 SER I 165 45.562 10.975 0.725 1.00 0.00 H new ATOM 0 HG SER I 165 44.197 12.845 1.009 1.00 0.00 H new ATOM 1724 N LEU I 166 42.750 9.557 2.802 1.00 0.00 N ATOM 1725 CA LEU I 166 41.556 8.794 2.451 1.00 0.00 C ATOM 1726 C LEU I 166 40.560 9.677 1.704 1.00 0.00 C ATOM 1727 O LEU I 166 39.705 10.324 2.311 1.00 0.00 O ATOM 1728 CB LEU I 166 40.900 8.225 3.717 1.00 0.00 C ATOM 1729 CG LEU I 166 41.726 8.614 4.945 1.00 0.00 C ATOM 1730 CD1 LEU I 166 41.587 10.118 5.195 1.00 0.00 C ATOM 1731 CD2 LEU I 166 41.217 7.847 6.163 1.00 0.00 C ATOM 0 H LEU I 166 42.604 10.263 3.523 1.00 0.00 H new ATOM 0 HA LEU I 166 41.851 7.970 1.802 1.00 0.00 H new ATOM 0 HB2 LEU I 166 39.884 8.607 3.815 1.00 0.00 H new ATOM 0 HB3 LEU I 166 40.827 7.140 3.644 1.00 0.00 H new ATOM 0 HG LEU I 166 42.774 8.369 4.773 1.00 0.00 H new ATOM 0 HD11 LEU I 166 42.175 10.397 6.069 1.00 0.00 H new ATOM 0 HD12 LEU I 166 41.948 10.666 4.325 1.00 0.00 H new ATOM 0 HD13 LEU I 166 40.539 10.363 5.369 1.00 0.00 H new ATOM 0 HD21 LEU I 166 41.805 8.123 7.039 1.00 0.00 H new ATOM 0 HD22 LEU I 166 40.169 8.093 6.337 1.00 0.00 H new ATOM 0 HD23 LEU I 166 41.313 6.776 5.985 1.00 0.00 H new ATOM 1743 N ASP I 167 40.674 9.700 0.383 1.00 0.00 N ATOM 1744 CA ASP I 167 39.772 10.503 -0.434 1.00 0.00 C ATOM 1745 C ASP I 167 39.569 9.851 -1.796 1.00 0.00 C ATOM 1746 O ASP I 167 40.398 10.004 -2.693 1.00 0.00 O ATOM 1747 CB ASP I 167 40.342 11.909 -0.617 1.00 0.00 C ATOM 1748 CG ASP I 167 39.364 12.769 -1.410 1.00 0.00 C ATOM 1749 OD1 ASP I 167 38.309 13.074 -0.879 1.00 0.00 O ATOM 1750 OD2 ASP I 167 39.684 13.107 -2.537 1.00 0.00 O1- ATOM 0 H ASP I 167 41.375 9.178 -0.143 1.00 0.00 H new ATOM 0 HA ASP I 167 38.810 10.569 0.074 1.00 0.00 H new ATOM 0 HB2 ASP I 167 40.532 12.363 0.356 1.00 0.00 H new ATOM 0 HB3 ASP I 167 41.298 11.858 -1.137 1.00 0.00 H new ATOM 1755 N LEU I 168 38.465 9.121 -1.943 1.00 0.00 N ATOM 1756 CA LEU I 168 38.170 8.445 -3.202 1.00 0.00 C ATOM 1757 C LEU I 168 36.945 9.064 -3.865 1.00 0.00 C ATOM 1758 O LEU I 168 35.909 9.240 -3.225 1.00 0.00 O ATOM 1759 CB LEU I 168 37.913 6.958 -2.942 1.00 0.00 C ATOM 1760 CG LEU I 168 39.083 6.370 -2.152 1.00 0.00 C ATOM 1761 CD1 LEU I 168 38.818 4.889 -1.871 1.00 0.00 C ATOM 1762 CD2 LEU I 168 40.375 6.511 -2.960 1.00 0.00 C ATOM 0 H LEU I 168 37.767 8.984 -1.212 1.00 0.00 H new ATOM 0 HA LEU I 168 39.026 8.558 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU I 168 36.984 6.830 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU I 168 37.795 6.428 -3.887 1.00 0.00 H new ATOM 0 HG LEU I 168 39.186 6.908 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU I 168 39.652 4.471 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU I 168 37.901 4.787 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU I 168 38.712 4.353 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU I 168 41.206 6.091 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU I 168 40.273 5.977 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU I 168 40.567 7.566 -3.158 1.00 0.00 H new ATOM 1774 N ARG I 169 37.074 9.385 -5.149 1.00 0.00 N ATOM 1775 CA ARG I 169 35.970 9.979 -5.896 1.00 0.00 C ATOM 1776 C ARG I 169 35.661 9.159 -7.141 1.00 0.00 C ATOM 1777 O ARG I 169 34.846 9.562 -7.971 1.00 0.00 O ATOM 1778 CB ARG I 169 36.326 11.413 -6.297 1.00 0.00 C ATOM 1779 CG ARG I 169 36.078 12.355 -5.114 1.00 0.00 C ATOM 1780 CD ARG I 169 34.761 13.104 -5.328 1.00 0.00 C ATOM 1781 NE ARG I 169 33.703 12.173 -5.706 1.00 0.00 N ATOM 1782 CZ ARG I 169 32.475 12.600 -5.975 1.00 0.00 C ATOM 1783 NH1 ARG I 169 32.197 13.873 -5.901 1.00 0.00 N ATOM 1784 NH2 ARG I 169 31.547 11.748 -6.313 1.00 0.00 N1+ ATOM 0 H ARG I 169 37.927 9.245 -5.691 1.00 0.00 H new ATOM 0 HA ARG I 169 35.086 9.989 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG I 169 37.370 11.467 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG I 169 35.725 11.722 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG I 169 36.039 11.787 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG I 169 36.901 13.064 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG I 169 34.482 13.631 -4.415 1.00 0.00 H new ATOM 0 HD3 ARG I 169 34.886 13.858 -6.105 1.00 0.00 H new ATOM 0 HE ARG I 169 33.911 11.176 -5.765 1.00 0.00 H new ATOM 0 HH11 ARG I 169 32.923 14.539 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG I 169 31.254 14.202 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG I 169 31.765 10.753 -6.371 1.00 0.00 H new ATOM 0 HH22 ARG I 169 30.604 12.077 -6.520 1.00 0.00 H new ATOM 1798 N ALA I 170 36.314 8.008 -7.262 1.00 0.00 N ATOM 1799 CA ALA I 170 36.100 7.138 -8.414 1.00 0.00 C ATOM 1800 C ALA I 170 35.948 5.688 -7.966 1.00 0.00 C ATOM 1801 O ALA I 170 35.296 4.937 -8.673 1.00 0.00 O ATOM 1802 CB ALA I 170 37.277 7.255 -9.383 1.00 0.00 C ATOM 1803 OXT ALA I 170 36.484 5.350 -6.924 1.00 0.00 O ATOM 0 H ALA I 170 36.990 7.658 -6.583 1.00 0.00 H new ATOM 0 HA ALA I 170 35.185 7.450 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA I 170 37.109 6.602 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA I 170 37.366 8.286 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA I 170 38.196 6.960 -8.877 1.00 0.00 H new TER 1809 ALA I 170 HETATM 1810 CA CA C 101 20.206 17.419 15.001 1.00 0.00 CA