USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 hydrogens (34 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0556) USER MOD Single : C 5 TYR OH : rot 17:sc= -1.86 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.3!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : C 16 GLN : amide:sc= -7! C(o=-7!,f=-10!) USER MOD Single : C 17 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.166) USER MOD Single : C 18 ASN :FLIP amide:sc= -0.756 F(o=-1.8,f=-0.76) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 69:sc= 0.269 USER MOD Single : C 37 SER OG : rot 180:sc= -0.448 USER MOD Single : C 38 THR OG1 : rot 180:sc=-0.00127 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -123:sc= -1.4 (180deg=-5.45!) USER MOD Single : C 47 MET CE :methyl 168:sc= 0 (180deg=-0.409) USER MOD Single : C 50 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : C 51 ASN :FLIP amide:sc= -0.608 F(o=-1.8,f=-0.61) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : C 58 GLN : amide:sc= -5.58! C(o=-5.6!,f=-10!) USER MOD Single : C 60 MET CE :methyl 165:sc= -8.53! (180deg=-9.04!) USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl -122:sc= -6.49! (180deg=-8.41!) USER MOD Single : C 81 MET CE :methyl -122:sc= -0.556 (180deg=-1.33) USER MOD Single : C 84 CYS SG : rot 90:sc= -1.93! USER MOD Single : C 85 MET CE :methyl -118:sc= -0.0388 (180deg=-3.36!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD Single : I 149 SER OG : rot 180:sc= -0.106 USER MOD Single : I 153 MET CE :methyl -117:sc= -2.06 (180deg=-6.49!) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -1.51! C(o=-1.5!,f=-4.4!) USER MOD Single : I 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 89.981 -17.545 -7.217 1.00 0.00 N ATOM 2 CA MET C 1 90.072 -17.470 -5.731 1.00 0.00 C ATOM 3 C MET C 1 89.089 -16.425 -5.214 1.00 0.00 C ATOM 4 O MET C 1 89.414 -15.242 -5.114 1.00 0.00 O ATOM 5 CB MET C 1 91.495 -17.079 -5.327 1.00 0.00 C ATOM 6 CG MET C 1 92.456 -18.215 -5.685 1.00 0.00 C ATOM 7 SD MET C 1 94.038 -17.960 -4.843 1.00 0.00 S ATOM 8 CE MET C 1 94.794 -19.539 -5.302 1.00 0.00 C ATOM 0 H1 MET C 1 90.520 -18.367 -7.557 1.00 0.00 H new ATOM 0 H2 MET C 1 88.985 -17.644 -7.499 1.00 0.00 H new ATOM 0 H3 MET C 1 90.374 -16.677 -7.633 1.00 0.00 H new ATOM 0 HA MET C 1 89.827 -18.441 -5.301 1.00 0.00 H new ATOM 0 HB2 MET C 1 91.791 -16.163 -5.838 1.00 0.00 H new ATOM 0 HB3 MET C 1 91.538 -16.875 -4.257 1.00 0.00 H new ATOM 0 HG2 MET C 1 92.027 -19.173 -5.392 1.00 0.00 H new ATOM 0 HG3 MET C 1 92.608 -18.250 -6.764 1.00 0.00 H new ATOM 0 HE1 MET C 1 95.797 -19.598 -4.880 1.00 0.00 H new ATOM 0 HE2 MET C 1 94.188 -20.358 -4.915 1.00 0.00 H new ATOM 0 HE3 MET C 1 94.852 -19.612 -6.388 1.00 0.00 H new ATOM 20 N ASP C 2 87.882 -16.877 -4.888 1.00 0.00 N ATOM 21 CA ASP C 2 86.853 -15.973 -4.382 1.00 0.00 C ATOM 22 C ASP C 2 86.264 -16.505 -3.078 1.00 0.00 C ATOM 23 O ASP C 2 85.276 -15.977 -2.567 1.00 0.00 O ATOM 24 CB ASP C 2 85.730 -15.813 -5.408 1.00 0.00 C ATOM 25 CG ASP C 2 85.242 -14.369 -5.405 1.00 0.00 C ATOM 26 OD1 ASP C 2 84.354 -14.066 -4.625 1.00 0.00 O ATOM 27 OD2 ASP C 2 85.764 -13.586 -6.182 1.00 0.00 O ATOM 0 H ASP C 2 87.594 -17.852 -4.964 1.00 0.00 H new ATOM 0 HA ASP C 2 87.319 -15.005 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP C 2 86.088 -16.085 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP C 2 84.907 -16.487 -5.170 1.00 0.00 H new ATOM 32 N ASP C 3 86.882 -17.554 -2.541 1.00 0.00 N ATOM 33 CA ASP C 3 86.410 -18.146 -1.293 1.00 0.00 C ATOM 34 C ASP C 3 87.063 -17.456 -0.100 1.00 0.00 C ATOM 35 O ASP C 3 86.413 -17.181 0.909 1.00 0.00 O ATOM 36 CB ASP C 3 86.737 -19.640 -1.248 1.00 0.00 C ATOM 37 CG ASP C 3 85.774 -20.344 -0.298 1.00 0.00 C ATOM 38 OD1 ASP C 3 84.923 -19.671 0.259 1.00 0.00 O ATOM 39 OD2 ASP C 3 85.901 -21.548 -0.142 1.00 0.00 O ATOM 0 H ASP C 3 87.702 -18.007 -2.945 1.00 0.00 H new ATOM 0 HA ASP C 3 85.329 -18.013 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP C 3 86.659 -20.070 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP C 3 87.765 -19.788 -0.917 1.00 0.00 H new ATOM 44 N ILE C 4 88.358 -17.181 -0.227 1.00 0.00 N ATOM 45 CA ILE C 4 89.094 -16.521 0.849 1.00 0.00 C ATOM 46 C ILE C 4 88.267 -15.384 1.438 1.00 0.00 C ATOM 47 O ILE C 4 88.402 -15.043 2.613 1.00 0.00 O ATOM 48 CB ILE C 4 90.416 -15.946 0.334 1.00 0.00 C ATOM 49 CG1 ILE C 4 90.135 -15.002 -0.855 1.00 0.00 C ATOM 50 CG2 ILE C 4 91.346 -17.091 -0.081 1.00 0.00 C ATOM 51 CD1 ILE C 4 90.404 -15.698 -2.198 1.00 0.00 C ATOM 0 H ILE C 4 88.915 -17.401 -1.053 1.00 0.00 H new ATOM 0 HA ILE C 4 89.298 -17.269 1.615 1.00 0.00 H new ATOM 0 HB ILE C 4 90.906 -15.374 1.122 1.00 0.00 H new ATOM 0 HG12 ILE C 4 89.099 -14.667 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE C 4 90.761 -14.113 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE C 4 92.287 -16.681 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE C 4 91.540 -17.732 0.779 1.00 0.00 H new ATOM 0 HG23 ILE C 4 90.873 -17.676 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE C 4 90.196 -15.006 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE C 4 91.447 -16.010 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE C 4 89.759 -16.572 -2.290 1.00 0.00 H new ATOM 63 N TYR C 5 87.415 -14.799 0.604 1.00 0.00 N ATOM 64 CA TYR C 5 86.572 -13.692 1.044 1.00 0.00 C ATOM 65 C TYR C 5 85.316 -14.210 1.731 1.00 0.00 C ATOM 66 O TYR C 5 84.796 -13.584 2.652 1.00 0.00 O ATOM 67 CB TYR C 5 86.169 -12.822 -0.148 1.00 0.00 C ATOM 68 CG TYR C 5 87.405 -12.283 -0.835 1.00 0.00 C ATOM 69 CD1 TYR C 5 88.665 -12.407 -0.231 1.00 0.00 C ATOM 70 CD2 TYR C 5 87.289 -11.656 -2.081 1.00 0.00 C ATOM 71 CE1 TYR C 5 89.802 -11.906 -0.873 1.00 0.00 C ATOM 72 CE2 TYR C 5 88.428 -11.155 -2.723 1.00 0.00 C ATOM 73 CZ TYR C 5 89.684 -11.281 -2.119 1.00 0.00 C ATOM 74 OH TYR C 5 90.806 -10.787 -2.752 1.00 0.00 O ATOM 0 H TYR C 5 87.289 -15.069 -0.372 1.00 0.00 H new ATOM 0 HA TYR C 5 87.147 -13.095 1.752 1.00 0.00 H new ATOM 0 HB2 TYR C 5 85.577 -13.407 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.541 -11.997 0.189 1.00 0.00 H new ATOM 0 HD1 TYR C 5 88.757 -12.890 0.731 1.00 0.00 H new ATOM 0 HD2 TYR C 5 86.320 -11.559 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR C 5 90.771 -12.002 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR C 5 88.337 -10.671 -3.684 1.00 0.00 H new ATOM 0 HH TYR C 5 91.608 -11.180 -2.350 1.00 0.00 H new ATOM 84 N LYS C 6 84.831 -15.361 1.276 1.00 0.00 N ATOM 85 CA LYS C 6 83.632 -15.947 1.866 1.00 0.00 C ATOM 86 C LYS C 6 83.805 -16.079 3.375 1.00 0.00 C ATOM 87 O LYS C 6 83.073 -15.470 4.155 1.00 0.00 O ATOM 88 CB LYS C 6 83.356 -17.330 1.270 1.00 0.00 C ATOM 89 CG LYS C 6 82.518 -17.182 -0.003 1.00 0.00 C ATOM 90 CD LYS C 6 81.194 -16.490 0.330 1.00 0.00 C ATOM 91 CE LYS C 6 80.209 -16.686 -0.824 1.00 0.00 C ATOM 92 NZ LYS C 6 79.639 -15.367 -1.219 1.00 0.00 N ATOM 0 H LYS C 6 85.242 -15.899 0.513 1.00 0.00 H new ATOM 0 HA LYS C 6 82.790 -15.291 1.647 1.00 0.00 H new ATOM 0 HB2 LYS C 6 84.296 -17.833 1.043 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.829 -17.951 1.994 1.00 0.00 H new ATOM 0 HG2 LYS C 6 83.066 -16.602 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS C 6 82.328 -18.162 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.778 -16.901 1.250 1.00 0.00 H new ATOM 0 HD3 LYS C 6 81.361 -15.427 0.503 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.714 -17.145 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS C 6 79.410 -17.364 -0.524 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.969 -15.499 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.143 -14.946 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.406 -14.734 -1.522 1.00 0.00 H new ATOM 106 N ALA C 7 84.788 -16.879 3.778 1.00 0.00 N ATOM 107 CA ALA C 7 85.057 -17.083 5.198 1.00 0.00 C ATOM 108 C ALA C 7 85.139 -15.740 5.917 1.00 0.00 C ATOM 109 O ALA C 7 84.465 -15.515 6.923 1.00 0.00 O ATOM 110 CB ALA C 7 86.376 -17.835 5.389 1.00 0.00 C ATOM 0 H ALA C 7 85.406 -17.392 3.149 1.00 0.00 H new ATOM 0 HA ALA C 7 84.242 -17.672 5.618 1.00 0.00 H new ATOM 0 HB1 ALA C 7 86.562 -17.979 6.453 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.316 -18.806 4.897 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.191 -17.257 4.953 1.00 0.00 H new ATOM 116 N ALA C 8 85.973 -14.849 5.387 1.00 0.00 N ATOM 117 CA ALA C 8 86.138 -13.525 5.982 1.00 0.00 C ATOM 118 C ALA C 8 84.811 -12.772 5.977 1.00 0.00 C ATOM 119 O ALA C 8 84.321 -12.340 7.021 1.00 0.00 O ATOM 120 CB ALA C 8 87.176 -12.715 5.203 1.00 0.00 C ATOM 0 H ALA C 8 86.540 -15.016 4.556 1.00 0.00 H new ATOM 0 HA ALA C 8 86.478 -13.655 7.009 1.00 0.00 H new ATOM 0 HB1 ALA C 8 87.287 -11.731 5.659 1.00 0.00 H new ATOM 0 HB2 ALA C 8 88.134 -13.235 5.224 1.00 0.00 H new ATOM 0 HB3 ALA C 8 86.848 -12.601 4.170 1.00 0.00 H new ATOM 126 N VAL C 9 84.233 -12.624 4.788 1.00 0.00 N ATOM 127 CA VAL C 9 82.958 -11.926 4.653 1.00 0.00 C ATOM 128 C VAL C 9 81.899 -12.591 5.526 1.00 0.00 C ATOM 129 O VAL C 9 80.957 -11.946 5.986 1.00 0.00 O ATOM 130 CB VAL C 9 82.483 -11.943 3.198 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.061 -11.384 3.120 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.417 -11.081 2.344 1.00 0.00 C ATOM 0 H VAL C 9 84.622 -12.974 3.913 1.00 0.00 H new ATOM 0 HA VAL C 9 83.104 -10.894 4.972 1.00 0.00 H new ATOM 0 HB VAL C 9 82.493 -12.967 2.825 1.00 0.00 H new ATOM 0 HG11 VAL C 9 80.722 -11.396 2.084 1.00 0.00 H new ATOM 0 HG12 VAL C 9 80.395 -11.998 3.727 1.00 0.00 H new ATOM 0 HG13 VAL C 9 81.052 -10.360 3.493 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.078 -11.094 1.308 1.00 0.00 H new ATOM 0 HG22 VAL C 9 83.408 -10.057 2.716 1.00 0.00 H new ATOM 0 HG23 VAL C 9 84.431 -11.478 2.399 1.00 0.00 H new ATOM 142 N GLU C 10 82.070 -13.891 5.752 1.00 0.00 N ATOM 143 CA GLU C 10 81.128 -14.642 6.577 1.00 0.00 C ATOM 144 C GLU C 10 81.469 -14.461 8.050 1.00 0.00 C ATOM 145 O GLU C 10 80.587 -14.352 8.901 1.00 0.00 O ATOM 146 CB GLU C 10 81.181 -16.131 6.233 1.00 0.00 C ATOM 147 CG GLU C 10 80.738 -16.339 4.783 1.00 0.00 C ATOM 148 CD GLU C 10 79.376 -17.025 4.761 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.217 -18.005 5.469 1.00 0.00 O ATOM 150 OE2 GLU C 10 78.513 -16.561 4.034 1.00 0.00 O ATOM 0 H GLU C 10 82.844 -14.442 5.380 1.00 0.00 H new ATOM 0 HA GLU C 10 80.125 -14.264 6.380 1.00 0.00 H new ATOM 0 HB2 GLU C 10 82.193 -16.511 6.373 1.00 0.00 H new ATOM 0 HB3 GLU C 10 80.534 -16.693 6.906 1.00 0.00 H new ATOM 0 HG2 GLU C 10 80.683 -15.380 4.267 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.471 -16.945 4.251 1.00 0.00 H new ATOM 157 N GLN C 11 82.767 -14.423 8.335 1.00 0.00 N ATOM 158 CA GLN C 11 83.234 -14.245 9.706 1.00 0.00 C ATOM 159 C GLN C 11 82.664 -12.961 10.289 1.00 0.00 C ATOM 160 O GLN C 11 82.117 -12.948 11.392 1.00 0.00 O ATOM 161 CB GLN C 11 84.760 -14.159 9.743 1.00 0.00 C ATOM 162 CG GLN C 11 85.361 -15.518 9.380 1.00 0.00 C ATOM 163 CD GLN C 11 86.260 -15.996 10.515 1.00 0.00 C ATOM 164 OE1 GLN C 11 86.007 -15.698 11.683 1.00 0.00 O ATOM 165 NE2 GLN C 11 87.307 -16.725 10.241 1.00 0.00 N ATOM 0 H GLN C 11 83.509 -14.512 7.641 1.00 0.00 H new ATOM 0 HA GLN C 11 82.900 -15.102 10.291 1.00 0.00 H new ATOM 0 HB2 GLN C 11 85.108 -13.398 9.044 1.00 0.00 H new ATOM 0 HB3 GLN C 11 85.093 -13.857 10.736 1.00 0.00 H new ATOM 0 HG2 GLN C 11 84.567 -16.243 9.201 1.00 0.00 H new ATOM 0 HG3 GLN C 11 85.934 -15.439 8.456 1.00 0.00 H new ATOM 0 HE21 GLN C 11 87.517 -16.972 9.274 1.00 0.00 H new ATOM 0 HE22 GLN C 11 87.915 -17.048 10.994 1.00 0.00 H new ATOM 174 N LEU C 12 82.804 -11.878 9.532 1.00 0.00 N ATOM 175 CA LEU C 12 82.307 -10.581 9.974 1.00 0.00 C ATOM 176 C LEU C 12 80.851 -10.690 10.416 1.00 0.00 C ATOM 177 O LEU C 12 80.022 -11.287 9.729 1.00 0.00 O ATOM 178 CB LEU C 12 82.406 -9.553 8.842 1.00 0.00 C ATOM 179 CG LEU C 12 83.853 -9.450 8.349 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.027 -8.153 7.555 1.00 0.00 C ATOM 181 CD2 LEU C 12 84.812 -9.442 9.545 1.00 0.00 C ATOM 0 H LEU C 12 83.254 -11.872 8.617 1.00 0.00 H new ATOM 0 HA LEU C 12 82.920 -10.256 10.815 1.00 0.00 H new ATOM 0 HB2 LEU C 12 81.753 -9.843 8.019 1.00 0.00 H new ATOM 0 HB3 LEU C 12 82.063 -8.580 9.193 1.00 0.00 H new ATOM 0 HG LEU C 12 84.077 -10.306 7.713 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.056 -8.077 7.203 1.00 0.00 H new ATOM 0 HD12 LEU C 12 83.350 -8.156 6.700 1.00 0.00 H new ATOM 0 HD13 LEU C 12 83.799 -7.301 8.195 1.00 0.00 H new ATOM 0 HD21 LEU C 12 85.839 -9.369 9.187 1.00 0.00 H new ATOM 0 HD22 LEU C 12 84.589 -8.588 10.185 1.00 0.00 H new ATOM 0 HD23 LEU C 12 84.691 -10.364 10.114 1.00 0.00 H new ATOM 193 N THR C 13 80.547 -10.101 11.569 1.00 0.00 N ATOM 194 CA THR C 13 79.184 -10.134 12.092 1.00 0.00 C ATOM 195 C THR C 13 78.401 -8.925 11.594 1.00 0.00 C ATOM 196 O THR C 13 78.954 -8.031 10.953 1.00 0.00 O ATOM 197 CB THR C 13 79.192 -10.124 13.622 1.00 0.00 C ATOM 198 OG1 THR C 13 80.197 -9.232 14.083 1.00 0.00 O ATOM 199 CG2 THR C 13 79.479 -11.533 14.142 1.00 0.00 C ATOM 0 H THR C 13 81.217 -9.601 12.153 1.00 0.00 H new ATOM 0 HA THR C 13 78.710 -11.051 11.741 1.00 0.00 H new ATOM 0 HB THR C 13 78.219 -9.796 13.989 1.00 0.00 H new ATOM 0 HG1 THR C 13 80.202 -9.223 15.063 1.00 0.00 H new ATOM 0 HG21 THR C 13 79.484 -11.524 15.232 1.00 0.00 H new ATOM 0 HG22 THR C 13 78.706 -12.216 13.788 1.00 0.00 H new ATOM 0 HG23 THR C 13 80.451 -11.865 13.777 1.00 0.00 H new ATOM 207 N GLU C 14 77.106 -8.904 11.897 1.00 0.00 N ATOM 208 CA GLU C 14 76.257 -7.794 11.475 1.00 0.00 C ATOM 209 C GLU C 14 76.800 -6.480 12.025 1.00 0.00 C ATOM 210 O GLU C 14 76.591 -5.413 11.447 1.00 0.00 O ATOM 211 CB GLU C 14 74.819 -7.993 11.964 1.00 0.00 C ATOM 212 CG GLU C 14 74.735 -7.703 13.464 1.00 0.00 C ATOM 213 CD GLU C 14 73.715 -8.636 14.106 1.00 0.00 C ATOM 214 OE1 GLU C 14 73.242 -9.526 13.418 1.00 0.00 O ATOM 215 OE2 GLU C 14 73.421 -8.448 15.274 1.00 0.00 O ATOM 0 H GLU C 14 76.626 -9.632 12.426 1.00 0.00 H new ATOM 0 HA GLU C 14 76.258 -7.762 10.385 1.00 0.00 H new ATOM 0 HB2 GLU C 14 74.145 -7.332 11.419 1.00 0.00 H new ATOM 0 HB3 GLU C 14 74.495 -9.014 11.763 1.00 0.00 H new ATOM 0 HG2 GLU C 14 75.712 -7.841 13.927 1.00 0.00 H new ATOM 0 HG3 GLU C 14 74.448 -6.664 13.629 1.00 0.00 H new ATOM 222 N GLU C 15 77.508 -6.572 13.149 1.00 0.00 N ATOM 223 CA GLU C 15 78.088 -5.386 13.772 1.00 0.00 C ATOM 224 C GLU C 15 79.013 -4.679 12.788 1.00 0.00 C ATOM 225 O GLU C 15 78.698 -3.603 12.280 1.00 0.00 O ATOM 226 CB GLU C 15 78.886 -5.768 15.021 1.00 0.00 C ATOM 227 CG GLU C 15 78.022 -6.644 15.931 1.00 0.00 C ATOM 228 CD GLU C 15 78.505 -6.514 17.371 1.00 0.00 C ATOM 229 OE1 GLU C 15 78.465 -5.412 17.892 1.00 0.00 O ATOM 230 OE2 GLU C 15 78.909 -7.519 17.933 1.00 0.00 O ATOM 0 H GLU C 15 77.692 -7.446 13.642 1.00 0.00 H new ATOM 0 HA GLU C 15 77.274 -4.720 14.057 1.00 0.00 H new ATOM 0 HB2 GLU C 15 79.792 -6.303 14.737 1.00 0.00 H new ATOM 0 HB3 GLU C 15 79.200 -4.870 15.554 1.00 0.00 H new ATOM 0 HG2 GLU C 15 76.977 -6.343 15.858 1.00 0.00 H new ATOM 0 HG3 GLU C 15 78.077 -7.684 15.611 1.00 0.00 H new ATOM 237 N GLN C 16 80.158 -5.301 12.519 1.00 0.00 N ATOM 238 CA GLN C 16 81.120 -4.727 11.585 1.00 0.00 C ATOM 239 C GLN C 16 80.407 -4.346 10.288 1.00 0.00 C ATOM 240 O GLN C 16 80.674 -3.302 9.696 1.00 0.00 O ATOM 241 CB GLN C 16 82.266 -5.731 11.321 1.00 0.00 C ATOM 242 CG GLN C 16 82.320 -6.158 9.846 1.00 0.00 C ATOM 243 CD GLN C 16 82.869 -5.011 9.007 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.138 -4.397 8.230 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.126 -4.681 9.119 1.00 0.00 N ATOM 0 H GLN C 16 80.439 -6.192 12.929 1.00 0.00 H new ATOM 0 HA GLN C 16 81.557 -3.826 12.015 1.00 0.00 H new ATOM 0 HB2 GLN C 16 83.217 -5.280 11.604 1.00 0.00 H new ATOM 0 HB3 GLN C 16 82.131 -6.611 11.950 1.00 0.00 H new ATOM 0 HG2 GLN C 16 82.951 -7.040 9.734 1.00 0.00 H new ATOM 0 HG3 GLN C 16 81.324 -6.433 9.499 1.00 0.00 H new ATOM 0 HE21 GLN C 16 84.731 -5.190 9.763 1.00 0.00 H new ATOM 0 HE22 GLN C 16 84.503 -3.914 8.563 1.00 0.00 H new ATOM 254 N LYS C 17 79.488 -5.204 9.863 1.00 0.00 N ATOM 255 CA LYS C 17 78.731 -4.943 8.644 1.00 0.00 C ATOM 256 C LYS C 17 78.031 -3.594 8.753 1.00 0.00 C ATOM 257 O LYS C 17 78.041 -2.793 7.818 1.00 0.00 O ATOM 258 CB LYS C 17 77.680 -6.031 8.416 1.00 0.00 C ATOM 259 CG LYS C 17 77.869 -6.639 7.026 1.00 0.00 C ATOM 260 CD LYS C 17 78.629 -7.961 7.146 1.00 0.00 C ATOM 261 CE LYS C 17 80.133 -7.685 7.131 1.00 0.00 C ATOM 262 NZ LYS C 17 80.642 -7.782 5.734 1.00 0.00 N ATOM 0 H LYS C 17 79.250 -6.076 10.337 1.00 0.00 H new ATOM 0 HA LYS C 17 79.426 -4.938 7.804 1.00 0.00 H new ATOM 0 HB2 LYS C 17 77.771 -6.805 9.178 1.00 0.00 H new ATOM 0 HB3 LYS C 17 76.679 -5.609 8.507 1.00 0.00 H new ATOM 0 HG2 LYS C 17 76.900 -6.806 6.556 1.00 0.00 H new ATOM 0 HG3 LYS C 17 78.419 -5.948 6.387 1.00 0.00 H new ATOM 0 HD2 LYS C 17 78.351 -8.471 8.068 1.00 0.00 H new ATOM 0 HD3 LYS C 17 78.361 -8.623 6.323 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.336 -6.693 7.535 1.00 0.00 H new ATOM 0 HE3 LYS C 17 80.651 -8.401 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 81.602 -7.385 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 80.665 -8.780 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.015 -7.249 5.098 1.00 0.00 H new ATOM 276 N ASN C 18 77.426 -3.352 9.913 1.00 0.00 N ATOM 277 CA ASN C 18 76.723 -2.096 10.149 1.00 0.00 C ATOM 278 C ASN C 18 77.661 -0.915 9.927 1.00 0.00 C ATOM 279 O ASN C 18 77.461 -0.109 9.019 1.00 0.00 O ATOM 280 CB ASN C 18 76.184 -2.044 11.580 1.00 0.00 C ATOM 281 CG ASN C 18 74.922 -2.893 11.680 1.00 0.00 C ATOM 282 OD1 ASN C 18 74.869 -3.859 12.555 1.00 0.00 O flip ATOM 283 ND2 ASN C 18 73.959 -2.675 10.945 1.00 0.00 N flip ATOM 0 H ASN C 18 77.408 -4.003 10.698 1.00 0.00 H new ATOM 0 HA ASN C 18 75.891 -2.037 9.448 1.00 0.00 H new ATOM 0 HB2 ASN C 18 76.938 -2.410 12.277 1.00 0.00 H new ATOM 0 HB3 ASN C 18 75.965 -1.014 11.860 1.00 0.00 H new ATOM 0 HD21 ASN C 18 74.000 -1.920 10.261 1.00 0.00 H new ATOM 0 HD22 ASN C 18 73.120 -3.250 11.020 1.00 0.00 H new ATOM 290 N GLU C 19 78.693 -0.824 10.764 1.00 0.00 N ATOM 291 CA GLU C 19 79.660 0.262 10.642 1.00 0.00 C ATOM 292 C GLU C 19 80.103 0.400 9.191 1.00 0.00 C ATOM 293 O GLU C 19 80.435 1.490 8.725 1.00 0.00 O ATOM 294 CB GLU C 19 80.887 -0.001 11.518 1.00 0.00 C ATOM 295 CG GLU C 19 81.402 -1.419 11.275 1.00 0.00 C ATOM 296 CD GLU C 19 82.645 -1.661 12.125 1.00 0.00 C ATOM 297 OE1 GLU C 19 82.499 -1.790 13.330 1.00 0.00 O ATOM 298 OE2 GLU C 19 83.725 -1.713 11.560 1.00 0.00 O ATOM 0 H GLU C 19 78.879 -1.479 11.523 1.00 0.00 H new ATOM 0 HA GLU C 19 79.180 1.183 10.973 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.669 0.724 11.291 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.629 0.127 12.569 1.00 0.00 H new ATOM 0 HG2 GLU C 19 80.630 -2.146 11.526 1.00 0.00 H new ATOM 0 HG3 GLU C 19 81.638 -1.556 10.220 1.00 0.00 H new ATOM 305 N PHE C 20 80.097 -0.724 8.482 1.00 0.00 N ATOM 306 CA PHE C 20 80.493 -0.733 7.078 1.00 0.00 C ATOM 307 C PHE C 20 79.438 -0.032 6.229 1.00 0.00 C ATOM 308 O PHE C 20 79.720 0.956 5.551 1.00 0.00 O ATOM 309 CB PHE C 20 80.661 -2.170 6.580 1.00 0.00 C ATOM 310 CG PHE C 20 81.888 -2.262 5.704 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.334 -1.135 5.002 1.00 0.00 C ATOM 312 CD2 PHE C 20 82.580 -3.475 5.592 1.00 0.00 C ATOM 313 CE1 PHE C 20 83.470 -1.221 4.190 1.00 0.00 C ATOM 314 CE2 PHE C 20 83.717 -3.560 4.780 1.00 0.00 C ATOM 315 CZ PHE C 20 84.162 -2.433 4.079 1.00 0.00 C ATOM 0 H PHE C 20 79.824 -1.634 8.853 1.00 0.00 H new ATOM 0 HA PHE C 20 81.443 -0.206 6.989 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.754 -2.850 7.426 1.00 0.00 H new ATOM 0 HB3 PHE C 20 79.778 -2.477 6.020 1.00 0.00 H new ATOM 0 HD1 PHE C 20 81.801 -0.200 5.088 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.236 -4.345 6.132 1.00 0.00 H new ATOM 0 HE1 PHE C 20 83.813 -0.352 3.648 1.00 0.00 H new ATOM 0 HE2 PHE C 20 84.251 -4.495 4.694 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.039 -2.498 3.452 1.00 0.00 H new ATOM 325 N LYS C 21 78.217 -0.558 6.275 1.00 0.00 N ATOM 326 CA LYS C 21 77.119 0.022 5.507 1.00 0.00 C ATOM 327 C LYS C 21 77.077 1.534 5.700 1.00 0.00 C ATOM 328 O LYS C 21 76.768 2.285 4.774 1.00 0.00 O ATOM 329 CB LYS C 21 75.781 -0.577 5.945 1.00 0.00 C ATOM 330 CG LYS C 21 75.846 -2.102 5.836 1.00 0.00 C ATOM 331 CD LYS C 21 74.436 -2.663 5.648 1.00 0.00 C ATOM 332 CE LYS C 21 74.475 -4.187 5.772 1.00 0.00 C ATOM 333 NZ LYS C 21 73.733 -4.797 4.632 1.00 0.00 N ATOM 0 H LYS C 21 77.964 -1.376 6.830 1.00 0.00 H new ATOM 0 HA LYS C 21 77.287 -0.205 4.454 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.557 -0.284 6.971 1.00 0.00 H new ATOM 0 HB3 LYS C 21 74.975 -0.191 5.320 1.00 0.00 H new ATOM 0 HG2 LYS C 21 76.478 -2.390 4.996 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.299 -2.522 6.734 1.00 0.00 H new ATOM 0 HD2 LYS C 21 73.763 -2.243 6.396 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.046 -2.376 4.671 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.508 -4.536 5.776 1.00 0.00 H new ATOM 0 HE3 LYS C 21 74.030 -4.497 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.759 -5.833 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 72.745 -4.473 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 74.177 -4.511 3.736 1.00 0.00 H new ATOM 347 N ALA C 22 77.396 1.975 6.913 1.00 0.00 N ATOM 348 CA ALA C 22 77.395 3.403 7.213 1.00 0.00 C ATOM 349 C ALA C 22 78.027 4.177 6.064 1.00 0.00 C ATOM 350 O ALA C 22 77.509 5.205 5.630 1.00 0.00 O ATOM 351 CB ALA C 22 78.176 3.682 8.498 1.00 0.00 C ATOM 0 H ALA C 22 77.655 1.373 7.695 1.00 0.00 H new ATOM 0 HA ALA C 22 76.362 3.724 7.347 1.00 0.00 H new ATOM 0 HB1 ALA C 22 78.164 4.752 8.706 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.715 3.146 9.328 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.206 3.347 8.378 1.00 0.00 H new ATOM 357 N ALA C 23 79.149 3.663 5.569 1.00 0.00 N ATOM 358 CA ALA C 23 79.846 4.305 4.459 1.00 0.00 C ATOM 359 C ALA C 23 79.056 4.122 3.168 1.00 0.00 C ATOM 360 O ALA C 23 78.982 5.024 2.336 1.00 0.00 O ATOM 361 CB ALA C 23 81.242 3.704 4.283 1.00 0.00 C ATOM 0 H ALA C 23 79.592 2.812 5.915 1.00 0.00 H new ATOM 0 HA ALA C 23 79.939 5.368 4.683 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.747 4.195 3.451 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.819 3.851 5.196 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.155 2.637 4.077 1.00 0.00 H new ATOM 367 N PHE C 24 78.459 2.943 3.014 1.00 0.00 N ATOM 368 CA PHE C 24 77.668 2.656 1.821 1.00 0.00 C ATOM 369 C PHE C 24 76.645 3.764 1.598 1.00 0.00 C ATOM 370 O PHE C 24 76.278 4.075 0.466 1.00 0.00 O ATOM 371 CB PHE C 24 76.933 1.321 1.966 1.00 0.00 C ATOM 372 CG PHE C 24 77.828 0.197 1.504 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.964 -0.145 2.248 1.00 0.00 C ATOM 374 CD2 PHE C 24 77.521 -0.505 0.332 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.793 -1.189 1.819 1.00 0.00 C ATOM 376 CE2 PHE C 24 78.350 -1.548 -0.097 1.00 0.00 C ATOM 377 CZ PHE C 24 79.486 -1.890 0.647 1.00 0.00 C ATOM 0 H PHE C 24 78.506 2.181 3.690 1.00 0.00 H new ATOM 0 HA PHE C 24 78.346 2.599 0.969 1.00 0.00 H new ATOM 0 HB2 PHE C 24 76.643 1.165 3.005 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.015 1.334 1.378 1.00 0.00 H new ATOM 0 HD1 PHE C 24 79.201 0.396 3.152 1.00 0.00 H new ATOM 0 HD2 PHE C 24 76.644 -0.242 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE C 24 80.669 -1.453 2.392 1.00 0.00 H new ATOM 0 HE2 PHE C 24 78.114 -2.089 -1.001 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.126 -2.695 0.316 1.00 0.00 H new ATOM 387 N ASP C 25 76.195 4.361 2.698 1.00 0.00 N ATOM 388 CA ASP C 25 75.217 5.442 2.623 1.00 0.00 C ATOM 389 C ASP C 25 75.869 6.699 2.058 1.00 0.00 C ATOM 390 O ASP C 25 75.209 7.535 1.442 1.00 0.00 O ATOM 391 CB ASP C 25 74.653 5.749 4.010 1.00 0.00 C ATOM 392 CG ASP C 25 73.145 5.519 4.008 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.738 4.390 3.793 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.420 6.477 4.222 1.00 0.00 O ATOM 0 H ASP C 25 76.489 4.117 3.644 1.00 0.00 H new ATOM 0 HA ASP C 25 74.406 5.125 1.968 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.128 5.112 4.756 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.874 6.781 4.284 1.00 0.00 H new ATOM 399 N ILE C 26 77.176 6.817 2.274 1.00 0.00 N ATOM 400 CA ILE C 26 77.920 7.971 1.779 1.00 0.00 C ATOM 401 C ILE C 26 78.587 7.635 0.450 1.00 0.00 C ATOM 402 O ILE C 26 78.561 8.426 -0.493 1.00 0.00 O ATOM 403 CB ILE C 26 78.990 8.392 2.785 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.317 8.868 4.074 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.824 9.529 2.197 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.792 7.658 4.845 1.00 0.00 C ATOM 0 H ILE C 26 77.738 6.135 2.784 1.00 0.00 H new ATOM 0 HA ILE C 26 77.218 8.793 1.638 1.00 0.00 H new ATOM 0 HB ILE C 26 79.637 7.543 3.004 1.00 0.00 H new ATOM 0 HG12 ILE C 26 79.028 9.423 4.686 1.00 0.00 H new ATOM 0 HG13 ILE C 26 77.498 9.548 3.841 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.587 9.829 2.915 1.00 0.00 H new ATOM 0 HG22 ILE C 26 80.303 9.191 1.278 1.00 0.00 H new ATOM 0 HG23 ILE C 26 79.178 10.379 1.978 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.312 7.993 5.764 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.068 7.122 4.232 1.00 0.00 H new ATOM 0 HD13 ILE C 26 78.622 6.995 5.090 1.00 0.00 H new ATOM 418 N PHE C 27 79.180 6.445 0.382 1.00 0.00 N ATOM 419 CA PHE C 27 79.843 6.009 -0.843 1.00 0.00 C ATOM 420 C PHE C 27 78.905 6.197 -2.029 1.00 0.00 C ATOM 421 O PHE C 27 79.275 6.772 -3.052 1.00 0.00 O ATOM 422 CB PHE C 27 80.236 4.533 -0.747 1.00 0.00 C ATOM 423 CG PHE C 27 81.530 4.402 0.020 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.759 5.199 1.149 1.00 0.00 C ATOM 425 CD2 PHE C 27 82.500 3.483 -0.396 1.00 0.00 C ATOM 426 CE1 PHE C 27 82.958 5.077 1.860 1.00 0.00 C ATOM 427 CE2 PHE C 27 83.699 3.360 0.316 1.00 0.00 C ATOM 428 CZ PHE C 27 83.928 4.158 1.444 1.00 0.00 C ATOM 0 H PHE C 27 79.215 5.774 1.150 1.00 0.00 H new ATOM 0 HA PHE C 27 80.743 6.609 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.448 3.968 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.349 4.111 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE C 27 81.010 5.908 1.471 1.00 0.00 H new ATOM 0 HD2 PHE C 27 82.324 2.869 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.135 5.692 2.730 1.00 0.00 H new ATOM 0 HE2 PHE C 27 84.447 2.650 -0.004 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.853 4.064 1.993 1.00 0.00 H new ATOM 438 N VAL C 28 77.677 5.712 -1.866 1.00 0.00 N ATOM 439 CA VAL C 28 76.669 5.834 -2.914 1.00 0.00 C ATOM 440 C VAL C 28 75.553 6.762 -2.445 1.00 0.00 C ATOM 441 O VAL C 28 74.379 6.565 -2.762 1.00 0.00 O ATOM 442 CB VAL C 28 76.076 4.463 -3.250 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.166 3.566 -3.840 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.525 3.819 -1.976 1.00 0.00 C ATOM 0 H VAL C 28 77.358 5.234 -1.024 1.00 0.00 H new ATOM 0 HA VAL C 28 77.143 6.244 -3.806 1.00 0.00 H new ATOM 0 HB VAL C 28 75.271 4.585 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.744 2.590 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.561 4.023 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.970 3.445 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.103 2.843 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.330 3.698 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.749 4.456 -1.553 1.00 0.00 H new ATOM 454 N LEU C 29 75.943 7.774 -1.673 1.00 0.00 N ATOM 455 CA LEU C 29 74.987 8.739 -1.138 1.00 0.00 C ATOM 456 C LEU C 29 74.264 9.466 -2.271 1.00 0.00 C ATOM 457 O LEU C 29 73.210 10.071 -2.072 1.00 0.00 O ATOM 458 CB LEU C 29 75.723 9.735 -0.210 1.00 0.00 C ATOM 459 CG LEU C 29 75.592 11.182 -0.708 1.00 0.00 C ATOM 460 CD1 LEU C 29 74.198 11.716 -0.376 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.646 12.053 -0.020 1.00 0.00 C ATOM 0 H LEU C 29 76.912 7.946 -1.405 1.00 0.00 H new ATOM 0 HA LEU C 29 74.232 8.212 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU C 29 75.317 9.660 0.799 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.777 9.465 -0.150 1.00 0.00 H new ATOM 0 HG LEU C 29 75.742 11.208 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.108 12.743 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.445 11.096 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU C 29 74.046 11.690 0.703 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.555 13.081 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.494 12.024 1.059 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.641 11.675 -0.256 1.00 0.00 H new ATOM 473 N GLY C 30 74.844 9.397 -3.458 1.00 0.00 N ATOM 474 CA GLY C 30 74.254 10.052 -4.622 1.00 0.00 C ATOM 475 C GLY C 30 74.394 9.183 -5.866 1.00 0.00 C ATOM 476 O GLY C 30 74.767 9.663 -6.937 1.00 0.00 O ATOM 0 H GLY C 30 75.715 8.900 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY C 30 73.200 10.257 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY C 30 74.740 11.013 -4.789 1.00 0.00 H new ATOM 480 N ALA C 31 74.090 7.899 -5.714 1.00 0.00 N ATOM 481 CA ALA C 31 74.184 6.969 -6.835 1.00 0.00 C ATOM 482 C ALA C 31 72.792 6.600 -7.336 1.00 0.00 C ATOM 483 O ALA C 31 71.786 7.139 -6.874 1.00 0.00 O ATOM 484 CB ALA C 31 74.922 5.697 -6.416 1.00 0.00 C ATOM 0 H ALA C 31 73.780 7.481 -4.837 1.00 0.00 H new ATOM 0 HA ALA C 31 74.739 7.459 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.983 5.015 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.928 5.953 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.382 5.215 -5.601 1.00 0.00 H new ATOM 490 N GLU C 32 72.747 5.680 -8.293 1.00 0.00 N ATOM 491 CA GLU C 32 71.474 5.248 -8.862 1.00 0.00 C ATOM 492 C GLU C 32 71.034 3.923 -8.249 1.00 0.00 C ATOM 493 O GLU C 32 69.848 3.590 -8.240 1.00 0.00 O ATOM 494 CB GLU C 32 71.600 5.081 -10.376 1.00 0.00 C ATOM 495 CG GLU C 32 70.218 4.821 -10.978 1.00 0.00 C ATOM 496 CD GLU C 32 70.261 5.071 -12.481 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.960 4.341 -13.163 1.00 0.00 O ATOM 498 OE2 GLU C 32 69.592 5.988 -12.929 1.00 0.00 O ATOM 0 H GLU C 32 73.568 5.222 -8.689 1.00 0.00 H new ATOM 0 HA GLU C 32 70.729 6.012 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.037 5.977 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU C 32 72.270 4.253 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.910 3.795 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.478 5.472 -10.512 1.00 0.00 H new ATOM 505 N ASP C 33 72.002 3.168 -7.738 1.00 0.00 N ATOM 506 CA ASP C 33 71.702 1.876 -7.124 1.00 0.00 C ATOM 507 C ASP C 33 72.550 1.672 -5.871 1.00 0.00 C ATOM 508 O ASP C 33 72.152 2.052 -4.769 1.00 0.00 O ATOM 509 CB ASP C 33 71.975 0.734 -8.108 1.00 0.00 C ATOM 510 CG ASP C 33 73.060 1.152 -9.096 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.110 1.578 -8.646 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.823 1.041 -10.287 1.00 0.00 O ATOM 0 H ASP C 33 72.990 3.423 -7.736 1.00 0.00 H new ATOM 0 HA ASP C 33 70.646 1.870 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.288 -0.158 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.061 0.477 -8.644 1.00 0.00 H new ATOM 517 N GLY C 34 73.724 1.070 -6.049 1.00 0.00 N ATOM 518 CA GLY C 34 74.619 0.824 -4.923 1.00 0.00 C ATOM 519 C GLY C 34 76.030 0.530 -5.418 1.00 0.00 C ATOM 520 O GLY C 34 76.658 -0.446 -5.008 1.00 0.00 O ATOM 0 H GLY C 34 74.074 0.747 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.632 1.692 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.251 -0.017 -4.335 1.00 0.00 H new ATOM 524 N CYS C 35 76.520 1.387 -6.309 1.00 0.00 N ATOM 525 CA CYS C 35 77.859 1.212 -6.862 1.00 0.00 C ATOM 526 C CYS C 35 78.702 2.462 -6.625 1.00 0.00 C ATOM 527 O CYS C 35 78.198 3.584 -6.654 1.00 0.00 O ATOM 528 CB CYS C 35 77.783 0.934 -8.365 1.00 0.00 C ATOM 529 SG CYS C 35 76.337 -0.097 -8.719 1.00 0.00 S ATOM 0 H CYS C 35 76.016 2.201 -6.661 1.00 0.00 H new ATOM 0 HA CYS C 35 78.324 0.363 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.717 1.872 -8.916 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.691 0.432 -8.699 1.00 0.00 H new ATOM 0 HG CYS C 35 75.253 0.589 -8.509 1.00 0.00 H new ATOM 535 N ILE C 36 79.994 2.253 -6.386 1.00 0.00 N ATOM 536 CA ILE C 36 80.904 3.369 -6.140 1.00 0.00 C ATOM 537 C ILE C 36 81.595 3.795 -7.430 1.00 0.00 C ATOM 538 O ILE C 36 82.136 2.969 -8.166 1.00 0.00 O ATOM 539 CB ILE C 36 81.969 2.975 -5.117 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.291 2.406 -3.869 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.790 4.208 -4.733 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.115 1.236 -3.330 1.00 0.00 C ATOM 0 H ILE C 36 80.431 1.332 -6.357 1.00 0.00 H new ATOM 0 HA ILE C 36 80.314 4.200 -5.753 1.00 0.00 H new ATOM 0 HB ILE C 36 82.627 2.221 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE C 36 81.198 3.180 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.281 2.073 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.549 3.927 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.273 4.614 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE C 36 82.133 4.962 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.632 0.830 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.185 0.459 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE C 36 83.116 1.584 -3.073 1.00 0.00 H new ATOM 554 N SER C 37 81.575 5.099 -7.693 1.00 0.00 N ATOM 555 CA SER C 37 82.208 5.634 -8.895 1.00 0.00 C ATOM 556 C SER C 37 83.443 6.450 -8.524 1.00 0.00 C ATOM 557 O SER C 37 83.674 6.755 -7.353 1.00 0.00 O ATOM 558 CB SER C 37 81.232 6.525 -9.663 1.00 0.00 C ATOM 559 OG SER C 37 81.921 7.170 -10.726 1.00 0.00 O ATOM 0 H SER C 37 81.132 5.798 -7.097 1.00 0.00 H new ATOM 0 HA SER C 37 82.502 4.795 -9.525 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.410 5.928 -10.057 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.796 7.267 -8.994 1.00 0.00 H new ATOM 0 HG SER C 37 81.297 7.741 -11.221 1.00 0.00 H new ATOM 565 N THR C 38 84.234 6.802 -9.534 1.00 0.00 N ATOM 566 CA THR C 38 85.445 7.586 -9.303 1.00 0.00 C ATOM 567 C THR C 38 85.081 8.998 -8.860 1.00 0.00 C ATOM 568 O THR C 38 85.834 9.656 -8.142 1.00 0.00 O ATOM 569 CB THR C 38 86.290 7.673 -10.579 1.00 0.00 C ATOM 570 OG1 THR C 38 85.773 8.697 -11.418 1.00 0.00 O ATOM 571 CG2 THR C 38 86.250 6.336 -11.322 1.00 0.00 C ATOM 0 H THR C 38 84.062 6.560 -10.510 1.00 0.00 H new ATOM 0 HA THR C 38 86.021 7.088 -8.523 1.00 0.00 H new ATOM 0 HB THR C 38 87.321 7.903 -10.312 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.313 8.755 -12.234 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.853 6.405 -12.228 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.649 5.551 -10.680 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.220 6.099 -11.589 1.00 0.00 H new ATOM 579 N LYS C 39 83.917 9.456 -9.306 1.00 0.00 N ATOM 580 CA LYS C 39 83.451 10.796 -8.962 1.00 0.00 C ATOM 581 C LYS C 39 82.669 10.779 -7.652 1.00 0.00 C ATOM 582 O LYS C 39 82.500 11.811 -7.002 1.00 0.00 O ATOM 583 CB LYS C 39 82.552 11.347 -10.070 1.00 0.00 C ATOM 584 CG LYS C 39 83.326 12.383 -10.887 1.00 0.00 C ATOM 585 CD LYS C 39 83.347 11.965 -12.359 1.00 0.00 C ATOM 586 CE LYS C 39 82.312 12.781 -13.136 1.00 0.00 C ATOM 587 NZ LYS C 39 80.947 12.267 -12.836 1.00 0.00 N ATOM 0 H LYS C 39 83.282 8.925 -9.902 1.00 0.00 H new ATOM 0 HA LYS C 39 84.327 11.434 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.215 10.537 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.661 11.801 -9.637 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.861 13.363 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS C 39 84.345 12.472 -10.509 1.00 0.00 H new ATOM 0 HD2 LYS C 39 84.340 12.123 -12.779 1.00 0.00 H new ATOM 0 HD3 LYS C 39 83.129 10.901 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.384 13.834 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.510 12.715 -14.206 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 80.243 12.822 -13.364 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 80.883 11.268 -13.118 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 80.760 12.352 -11.816 1.00 0.00 H new ATOM 601 N GLU C 40 82.189 9.599 -7.274 1.00 0.00 N ATOM 602 CA GLU C 40 81.419 9.460 -6.041 1.00 0.00 C ATOM 603 C GLU C 40 82.345 9.291 -4.838 1.00 0.00 C ATOM 604 O GLU C 40 82.422 10.158 -3.969 1.00 0.00 O ATOM 605 CB GLU C 40 80.491 8.246 -6.127 1.00 0.00 C ATOM 606 CG GLU C 40 79.039 8.718 -6.229 1.00 0.00 C ATOM 607 CD GLU C 40 78.503 9.021 -4.834 1.00 0.00 C ATOM 608 OE1 GLU C 40 79.188 9.707 -4.093 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.415 8.562 -4.528 1.00 0.00 O ATOM 0 H GLU C 40 82.317 8.733 -7.797 1.00 0.00 H new ATOM 0 HA GLU C 40 80.828 10.367 -5.914 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.749 7.639 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.618 7.615 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.978 9.608 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.429 7.951 -6.706 1.00 0.00 H new ATOM 616 N LEU C 41 83.040 8.158 -4.797 1.00 0.00 N ATOM 617 CA LEU C 41 83.956 7.870 -3.695 1.00 0.00 C ATOM 618 C LEU C 41 84.750 9.115 -3.303 1.00 0.00 C ATOM 619 O LEU C 41 85.170 9.262 -2.155 1.00 0.00 O ATOM 620 CB LEU C 41 84.932 6.760 -4.093 1.00 0.00 C ATOM 621 CG LEU C 41 86.022 6.627 -3.028 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.375 6.486 -1.648 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.871 5.388 -3.322 1.00 0.00 C ATOM 0 H LEU C 41 82.988 7.428 -5.508 1.00 0.00 H new ATOM 0 HA LEU C 41 83.359 7.547 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.399 5.815 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.381 6.986 -5.060 1.00 0.00 H new ATOM 0 HG LEU C 41 86.654 7.515 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.152 6.391 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.769 7.368 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.742 5.599 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.648 5.291 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.238 4.501 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.332 5.488 -4.304 1.00 0.00 H new ATOM 635 N GLY C 42 84.955 10.007 -4.268 1.00 0.00 N ATOM 636 CA GLY C 42 85.708 11.235 -4.012 1.00 0.00 C ATOM 637 C GLY C 42 84.990 12.120 -2.996 1.00 0.00 C ATOM 638 O GLY C 42 85.589 13.017 -2.402 1.00 0.00 O ATOM 0 H GLY C 42 84.615 9.907 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.702 10.985 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.843 11.783 -4.944 1.00 0.00 H new ATOM 642 N LYS C 43 83.700 11.863 -2.805 1.00 0.00 N ATOM 643 CA LYS C 43 82.912 12.650 -1.859 1.00 0.00 C ATOM 644 C LYS C 43 83.211 12.227 -0.425 1.00 0.00 C ATOM 645 O LYS C 43 83.548 13.053 0.423 1.00 0.00 O ATOM 646 CB LYS C 43 81.416 12.476 -2.129 1.00 0.00 C ATOM 647 CG LYS C 43 80.884 13.705 -2.869 1.00 0.00 C ATOM 648 CD LYS C 43 79.368 13.585 -3.035 1.00 0.00 C ATOM 649 CE LYS C 43 78.850 14.765 -3.859 1.00 0.00 C ATOM 650 NZ LYS C 43 78.481 15.883 -2.947 1.00 0.00 N ATOM 0 H LYS C 43 83.182 11.127 -3.285 1.00 0.00 H new ATOM 0 HA LYS C 43 83.185 13.697 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS C 43 81.245 11.578 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.879 12.343 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS C 43 81.129 14.611 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS C 43 81.362 13.790 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.119 12.646 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.885 13.570 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS C 43 79.614 15.093 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS C 43 77.984 14.460 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 78.129 16.686 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.739 15.566 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.318 16.180 -2.405 1.00 0.00 H new ATOM 664 N VAL C 44 83.082 10.929 -0.161 1.00 0.00 N ATOM 665 CA VAL C 44 83.339 10.407 1.180 1.00 0.00 C ATOM 666 C VAL C 44 84.726 10.825 1.658 1.00 0.00 C ATOM 667 O VAL C 44 84.877 11.432 2.718 1.00 0.00 O ATOM 668 CB VAL C 44 83.248 8.880 1.188 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.210 8.378 2.633 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.972 8.442 0.465 1.00 0.00 C ATOM 0 H VAL C 44 82.805 10.227 -0.847 1.00 0.00 H new ATOM 0 HA VAL C 44 82.584 10.818 1.851 1.00 0.00 H new ATOM 0 HB VAL C 44 84.117 8.462 0.680 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.145 7.290 2.639 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.117 8.690 3.151 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.341 8.796 3.141 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.906 7.354 0.470 1.00 0.00 H new ATOM 0 HG22 VAL C 44 81.104 8.860 0.974 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.996 8.799 -0.565 1.00 0.00 H new ATOM 680 N MET C 45 85.737 10.493 0.860 1.00 0.00 N ATOM 681 CA MET C 45 87.114 10.836 1.205 1.00 0.00 C ATOM 682 C MET C 45 87.179 12.222 1.839 1.00 0.00 C ATOM 683 O MET C 45 87.676 12.389 2.954 1.00 0.00 O ATOM 684 CB MET C 45 87.996 10.821 -0.045 1.00 0.00 C ATOM 685 CG MET C 45 88.234 9.375 -0.484 1.00 0.00 C ATOM 686 SD MET C 45 89.803 8.787 0.201 1.00 0.00 S ATOM 687 CE MET C 45 89.108 7.847 1.583 1.00 0.00 C ATOM 0 H MET C 45 85.631 9.992 -0.022 1.00 0.00 H new ATOM 0 HA MET C 45 87.476 10.094 1.917 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.517 11.382 -0.848 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.947 11.311 0.162 1.00 0.00 H new ATOM 0 HG2 MET C 45 87.416 8.741 -0.143 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.254 9.313 -1.572 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.529 8.212 2.520 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.025 7.971 1.599 1.00 0.00 H new ATOM 0 HE3 MET C 45 89.351 6.791 1.464 1.00 0.00 H new ATOM 697 N ARG C 46 86.675 13.215 1.112 1.00 0.00 N ATOM 698 CA ARG C 46 86.682 14.592 1.605 1.00 0.00 C ATOM 699 C ARG C 46 85.902 14.705 2.913 1.00 0.00 C ATOM 700 O ARG C 46 86.251 15.490 3.794 1.00 0.00 O ATOM 701 CB ARG C 46 86.053 15.534 0.575 1.00 0.00 C ATOM 702 CG ARG C 46 87.081 15.873 -0.506 1.00 0.00 C ATOM 703 CD ARG C 46 86.389 16.609 -1.654 1.00 0.00 C ATOM 704 NE ARG C 46 85.697 17.797 -1.161 1.00 0.00 N ATOM 705 CZ ARG C 46 84.730 18.371 -1.871 1.00 0.00 C ATOM 706 NH1 ARG C 46 84.394 17.883 -3.034 1.00 0.00 N ATOM 707 NH2 ARG C 46 84.121 19.427 -1.407 1.00 0.00 N ATOM 0 H ARG C 46 86.260 13.096 0.188 1.00 0.00 H new ATOM 0 HA ARG C 46 87.721 14.875 1.777 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.178 15.065 0.125 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.710 16.446 1.063 1.00 0.00 H new ATOM 0 HG2 ARG C 46 87.874 16.493 -0.088 1.00 0.00 H new ATOM 0 HG3 ARG C 46 87.551 14.961 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG C 46 87.125 16.896 -2.405 1.00 0.00 H new ATOM 0 HD3 ARG C 46 85.677 15.944 -2.143 1.00 0.00 H new ATOM 0 HE ARG C 46 85.959 18.193 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG C 46 84.873 17.060 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG C 46 83.652 18.324 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG C 46 84.387 19.812 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG C 46 83.379 19.868 -1.951 1.00 0.00 H new ATOM 721 N MET C 47 84.836 13.919 3.025 1.00 0.00 N ATOM 722 CA MET C 47 84.005 13.945 4.226 1.00 0.00 C ATOM 723 C MET C 47 84.773 13.417 5.435 1.00 0.00 C ATOM 724 O MET C 47 84.524 13.824 6.570 1.00 0.00 O ATOM 725 CB MET C 47 82.750 13.094 4.026 1.00 0.00 C ATOM 726 CG MET C 47 81.665 13.933 3.348 1.00 0.00 C ATOM 727 SD MET C 47 80.418 12.838 2.626 1.00 0.00 S ATOM 728 CE MET C 47 79.682 12.278 4.181 1.00 0.00 C ATOM 0 H MET C 47 84.528 13.262 2.308 1.00 0.00 H new ATOM 0 HA MET C 47 83.722 14.982 4.407 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.983 12.221 3.416 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.391 12.725 4.987 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.201 14.602 4.073 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.106 14.560 2.573 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.749 11.754 3.974 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.372 11.604 4.688 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.481 13.139 4.819 1.00 0.00 H new ATOM 738 N LEU C 48 85.704 12.501 5.185 1.00 0.00 N ATOM 739 CA LEU C 48 86.491 11.922 6.272 1.00 0.00 C ATOM 740 C LEU C 48 87.683 12.812 6.614 1.00 0.00 C ATOM 741 O LEU C 48 87.702 13.471 7.654 1.00 0.00 O ATOM 742 CB LEU C 48 86.993 10.526 5.890 1.00 0.00 C ATOM 743 CG LEU C 48 85.985 9.844 4.958 1.00 0.00 C ATOM 744 CD1 LEU C 48 86.251 8.338 4.939 1.00 0.00 C ATOM 745 CD2 LEU C 48 84.560 10.098 5.459 1.00 0.00 C ATOM 0 H LEU C 48 85.931 12.147 4.256 1.00 0.00 H new ATOM 0 HA LEU C 48 85.843 11.845 7.145 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.963 10.601 5.398 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.137 9.924 6.787 1.00 0.00 H new ATOM 0 HG LEU C 48 86.093 10.251 3.953 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.535 7.850 4.277 1.00 0.00 H new ATOM 0 HD12 LEU C 48 87.263 8.152 4.580 1.00 0.00 H new ATOM 0 HD13 LEU C 48 86.144 7.937 5.947 1.00 0.00 H new ATOM 0 HD21 LEU C 48 83.848 9.611 4.793 1.00 0.00 H new ATOM 0 HD22 LEU C 48 84.451 9.694 6.465 1.00 0.00 H new ATOM 0 HD23 LEU C 48 84.366 11.170 5.476 1.00 0.00 H new ATOM 757 N GLY C 49 88.680 12.824 5.733 1.00 0.00 N ATOM 758 CA GLY C 49 89.871 13.639 5.963 1.00 0.00 C ATOM 759 C GLY C 49 90.862 13.492 4.814 1.00 0.00 C ATOM 760 O GLY C 49 92.076 13.547 5.011 1.00 0.00 O ATOM 0 H GLY C 49 88.689 12.288 4.866 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.585 14.685 6.070 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.345 13.341 6.898 1.00 0.00 H new ATOM 764 N GLN C 50 90.331 13.309 3.609 1.00 0.00 N ATOM 765 CA GLN C 50 91.176 13.161 2.428 1.00 0.00 C ATOM 766 C GLN C 50 90.502 13.797 1.219 1.00 0.00 C ATOM 767 O GLN C 50 89.284 13.716 1.056 1.00 0.00 O ATOM 768 CB GLN C 50 91.442 11.685 2.132 1.00 0.00 C ATOM 769 CG GLN C 50 92.849 11.318 2.606 1.00 0.00 C ATOM 770 CD GLN C 50 93.872 11.792 1.578 1.00 0.00 C ATOM 771 OE1 GLN C 50 94.563 12.787 1.795 1.00 0.00 O ATOM 772 NE2 GLN C 50 94.010 11.133 0.461 1.00 0.00 N ATOM 0 H GLN C 50 89.329 13.260 3.425 1.00 0.00 H new ATOM 0 HA GLN C 50 92.124 13.661 2.627 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.703 11.063 2.636 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.345 11.494 1.063 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.050 11.778 3.574 1.00 0.00 H new ATOM 0 HG3 GLN C 50 92.928 10.240 2.743 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.437 10.308 0.281 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.691 11.442 -0.233 1.00 0.00 H new ATOM 781 N ASN C 51 91.304 14.439 0.375 1.00 0.00 N ATOM 782 CA ASN C 51 90.765 15.094 -0.813 1.00 0.00 C ATOM 783 C ASN C 51 91.411 14.546 -2.080 1.00 0.00 C ATOM 784 O ASN C 51 92.264 15.193 -2.687 1.00 0.00 O ATOM 785 CB ASN C 51 91.009 16.603 -0.748 1.00 0.00 C ATOM 786 CG ASN C 51 90.603 17.243 -2.071 1.00 0.00 C ATOM 787 OD1 ASN C 51 89.636 16.712 -2.769 1.00 0.00 O flip ATOM 788 ND2 ASN C 51 91.178 18.250 -2.484 1.00 0.00 N flip ATOM 0 H ASN C 51 92.315 14.520 0.488 1.00 0.00 H new ATOM 0 HA ASN C 51 89.694 14.894 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN C 51 90.436 17.040 0.070 1.00 0.00 H new ATOM 0 HB3 ASN C 51 92.061 16.803 -0.543 1.00 0.00 H new ATOM 0 HD21 ASN C 51 91.934 18.665 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.899 18.669 -3.371 1.00 0.00 H new ATOM 795 N PRO C 52 90.995 13.353 -2.499 1.00 0.00 N ATOM 796 CA PRO C 52 91.521 12.718 -3.717 1.00 0.00 C ATOM 797 C PRO C 52 90.833 13.246 -4.975 1.00 0.00 C ATOM 798 O PRO C 52 89.792 13.899 -4.897 1.00 0.00 O ATOM 799 CB PRO C 52 91.192 11.250 -3.482 1.00 0.00 C ATOM 800 CG PRO C 52 90.027 11.205 -2.498 1.00 0.00 C ATOM 801 CD PRO C 52 89.974 12.562 -1.785 1.00 0.00 C ATOM 0 HA PRO C 52 92.581 12.911 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.925 10.760 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO C 52 92.056 10.721 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO C 52 89.091 11.010 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO C 52 90.164 10.398 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.987 13.018 -1.858 1.00 0.00 H new ATOM 0 HD3 PRO C 52 90.205 12.469 -0.724 1.00 0.00 H new ATOM 809 N THR C 53 91.423 12.966 -6.132 1.00 0.00 N ATOM 810 CA THR C 53 90.851 13.432 -7.392 1.00 0.00 C ATOM 811 C THR C 53 90.062 12.318 -8.068 1.00 0.00 C ATOM 812 O THR C 53 90.067 11.172 -7.620 1.00 0.00 O ATOM 813 CB THR C 53 91.954 13.904 -8.341 1.00 0.00 C ATOM 814 OG1 THR C 53 93.223 13.634 -7.760 1.00 0.00 O ATOM 815 CG2 THR C 53 91.812 15.406 -8.587 1.00 0.00 C ATOM 0 H THR C 53 92.284 12.427 -6.225 1.00 0.00 H new ATOM 0 HA THR C 53 90.184 14.264 -7.166 1.00 0.00 H new ATOM 0 HB THR C 53 91.868 13.375 -9.290 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.931 13.934 -8.367 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.599 15.740 -9.263 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.839 15.611 -9.033 1.00 0.00 H new ATOM 0 HG23 THR C 53 91.897 15.939 -7.640 1.00 0.00 H new ATOM 823 N PRO C 54 89.386 12.653 -9.163 1.00 0.00 N ATOM 824 CA PRO C 54 88.589 11.682 -9.929 1.00 0.00 C ATOM 825 C PRO C 54 89.461 10.798 -10.814 1.00 0.00 C ATOM 826 O PRO C 54 89.053 9.716 -11.236 1.00 0.00 O ATOM 827 CB PRO C 54 87.692 12.584 -10.766 1.00 0.00 C ATOM 828 CG PRO C 54 88.397 13.930 -10.878 1.00 0.00 C ATOM 829 CD PRO C 54 89.380 14.025 -9.707 1.00 0.00 C ATOM 0 HA PRO C 54 88.044 10.983 -9.295 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.524 12.153 -11.753 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.714 12.698 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.923 14.011 -11.829 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.676 14.746 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.372 14.332 -10.038 1.00 0.00 H new ATOM 0 HD3 PRO C 54 89.053 14.752 -8.964 1.00 0.00 H new ATOM 837 N GLU C 55 90.675 11.273 -11.078 1.00 0.00 N ATOM 838 CA GLU C 55 91.615 10.522 -11.902 1.00 0.00 C ATOM 839 C GLU C 55 92.375 9.519 -11.041 1.00 0.00 C ATOM 840 O GLU C 55 92.680 8.409 -11.476 1.00 0.00 O ATOM 841 CB GLU C 55 92.617 11.464 -12.571 1.00 0.00 C ATOM 842 CG GLU C 55 91.865 12.587 -13.287 1.00 0.00 C ATOM 843 CD GLU C 55 91.709 12.235 -14.762 1.00 0.00 C ATOM 844 OE1 GLU C 55 92.646 12.466 -15.508 1.00 0.00 O ATOM 845 OE2 GLU C 55 90.654 11.739 -15.124 1.00 0.00 O ATOM 0 H GLU C 55 91.028 12.167 -10.736 1.00 0.00 H new ATOM 0 HA GLU C 55 91.049 9.996 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.292 11.883 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.231 10.912 -13.283 1.00 0.00 H new ATOM 0 HG2 GLU C 55 90.885 12.731 -12.831 1.00 0.00 H new ATOM 0 HG3 GLU C 55 92.407 13.527 -13.182 1.00 0.00 H new ATOM 852 N GLU C 56 92.673 9.924 -9.808 1.00 0.00 N ATOM 853 CA GLU C 56 93.394 9.053 -8.886 1.00 0.00 C ATOM 854 C GLU C 56 92.472 7.950 -8.379 1.00 0.00 C ATOM 855 O GLU C 56 92.883 6.800 -8.218 1.00 0.00 O ATOM 856 CB GLU C 56 93.920 9.852 -7.692 1.00 0.00 C ATOM 857 CG GLU C 56 95.258 10.496 -8.057 1.00 0.00 C ATOM 858 CD GLU C 56 96.321 9.413 -8.208 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.956 8.248 -8.205 1.00 0.00 O ATOM 860 OE2 GLU C 56 97.483 9.764 -8.324 1.00 0.00 O ATOM 0 H GLU C 56 92.429 10.839 -9.429 1.00 0.00 H new ATOM 0 HA GLU C 56 94.235 8.612 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.200 10.620 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.043 9.198 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.162 11.058 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.554 11.206 -7.285 1.00 0.00 H new ATOM 867 N LEU C 57 91.217 8.314 -8.132 1.00 0.00 N ATOM 868 CA LEU C 57 90.235 7.349 -7.647 1.00 0.00 C ATOM 869 C LEU C 57 90.060 6.223 -8.659 1.00 0.00 C ATOM 870 O LEU C 57 89.952 5.052 -8.296 1.00 0.00 O ATOM 871 CB LEU C 57 88.884 8.028 -7.416 1.00 0.00 C ATOM 872 CG LEU C 57 88.934 8.827 -6.115 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.578 9.491 -5.869 1.00 0.00 C ATOM 874 CD2 LEU C 57 89.259 7.885 -4.954 1.00 0.00 C ATOM 0 H LEU C 57 90.858 9.260 -8.258 1.00 0.00 H new ATOM 0 HA LEU C 57 90.598 6.940 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.648 8.687 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.092 7.280 -7.366 1.00 0.00 H new ATOM 0 HG LEU C 57 89.704 9.595 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.615 10.061 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.345 10.161 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.806 8.725 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU C 57 89.295 8.453 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU C 57 88.488 7.118 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU C 57 90.226 7.412 -5.129 1.00 0.00 H new ATOM 886 N GLN C 58 90.038 6.592 -9.937 1.00 0.00 N ATOM 887 CA GLN C 58 89.882 5.607 -11.002 1.00 0.00 C ATOM 888 C GLN C 58 90.778 4.402 -10.737 1.00 0.00 C ATOM 889 O GLN C 58 90.347 3.253 -10.839 1.00 0.00 O ATOM 890 CB GLN C 58 90.252 6.218 -12.356 1.00 0.00 C ATOM 891 CG GLN C 58 90.254 5.125 -13.427 1.00 0.00 C ATOM 892 CD GLN C 58 88.941 4.352 -13.369 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.653 3.678 -12.380 1.00 0.00 O ATOM 894 NE2 GLN C 58 88.118 4.409 -14.379 1.00 0.00 N ATOM 0 H GLN C 58 90.125 7.556 -10.258 1.00 0.00 H new ATOM 0 HA GLN C 58 88.839 5.291 -11.023 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.540 7.000 -12.621 1.00 0.00 H new ATOM 0 HB3 GLN C 58 91.234 6.687 -12.299 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.383 5.569 -14.414 1.00 0.00 H new ATOM 0 HG3 GLN C 58 91.094 4.448 -13.269 1.00 0.00 H new ATOM 0 HE21 GLN C 58 88.355 4.967 -15.199 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.237 3.896 -14.349 1.00 0.00 H new ATOM 903 N GLU C 59 92.032 4.678 -10.389 1.00 0.00 N ATOM 904 CA GLU C 59 92.985 3.609 -10.104 1.00 0.00 C ATOM 905 C GLU C 59 92.437 2.697 -9.012 1.00 0.00 C ATOM 906 O GLU C 59 92.771 1.514 -8.942 1.00 0.00 O ATOM 907 CB GLU C 59 94.324 4.192 -9.647 1.00 0.00 C ATOM 908 CG GLU C 59 95.385 3.090 -9.635 1.00 0.00 C ATOM 909 CD GLU C 59 95.414 2.396 -10.993 1.00 0.00 C ATOM 910 OE1 GLU C 59 95.196 3.071 -11.985 1.00 0.00 O ATOM 911 OE2 GLU C 59 95.655 1.201 -11.019 1.00 0.00 O ATOM 0 H GLU C 59 92.409 5.621 -10.298 1.00 0.00 H new ATOM 0 HA GLU C 59 93.138 3.035 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.629 4.997 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.223 4.625 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU C 59 96.363 3.515 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU C 59 95.164 2.367 -8.850 1.00 0.00 H new ATOM 918 N MET C 60 91.586 3.264 -8.162 1.00 0.00 N ATOM 919 CA MET C 60 90.984 2.500 -7.073 1.00 0.00 C ATOM 920 C MET C 60 89.921 1.550 -7.619 1.00 0.00 C ATOM 921 O MET C 60 89.803 0.407 -7.178 1.00 0.00 O ATOM 922 CB MET C 60 90.339 3.439 -6.050 1.00 0.00 C ATOM 923 CG MET C 60 91.387 4.420 -5.520 1.00 0.00 C ATOM 924 SD MET C 60 91.908 3.911 -3.862 1.00 0.00 S ATOM 925 CE MET C 60 91.098 5.247 -2.947 1.00 0.00 C ATOM 0 H MET C 60 91.299 4.242 -8.205 1.00 0.00 H new ATOM 0 HA MET C 60 91.772 1.925 -6.587 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.516 3.985 -6.511 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.918 2.862 -5.227 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.246 4.448 -6.190 1.00 0.00 H new ATOM 0 HG3 MET C 60 90.974 5.428 -5.489 1.00 0.00 H new ATOM 0 HE1 MET C 60 91.061 4.992 -1.888 1.00 0.00 H new ATOM 0 HE2 MET C 60 91.661 6.171 -3.078 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.084 5.383 -3.323 1.00 0.00 H new ATOM 935 N ILE C 61 89.152 2.039 -8.589 1.00 0.00 N ATOM 936 CA ILE C 61 88.100 1.228 -9.197 1.00 0.00 C ATOM 937 C ILE C 61 88.710 0.165 -10.105 1.00 0.00 C ATOM 938 O ILE C 61 88.306 -0.998 -10.085 1.00 0.00 O ATOM 939 CB ILE C 61 87.155 2.104 -10.024 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.955 3.455 -9.329 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.802 1.405 -10.167 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.747 3.245 -7.829 1.00 0.00 C ATOM 0 H ILE C 61 89.236 2.982 -8.968 1.00 0.00 H new ATOM 0 HA ILE C 61 87.539 0.748 -8.395 1.00 0.00 H new ATOM 0 HB ILE C 61 87.591 2.266 -11.010 1.00 0.00 H new ATOM 0 HG12 ILE C 61 87.823 4.093 -9.499 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.094 3.969 -9.756 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.130 2.030 -10.756 1.00 0.00 H new ATOM 0 HG22 ILE C 61 85.939 0.447 -10.668 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.372 1.240 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.606 4.210 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.866 2.625 -7.667 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.621 2.750 -7.406 1.00 0.00 H new ATOM 954 N ASP C 62 89.688 0.581 -10.905 1.00 0.00 N ATOM 955 CA ASP C 62 90.354 -0.337 -11.825 1.00 0.00 C ATOM 956 C ASP C 62 90.772 -1.615 -11.104 1.00 0.00 C ATOM 957 O ASP C 62 90.929 -2.669 -11.721 1.00 0.00 O ATOM 958 CB ASP C 62 91.597 0.321 -12.427 1.00 0.00 C ATOM 959 CG ASP C 62 92.207 -0.605 -13.475 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.475 -1.050 -14.342 1.00 0.00 O ATOM 961 OD2 ASP C 62 93.399 -0.853 -13.395 1.00 0.00 O ATOM 0 H ASP C 62 90.035 1.540 -10.935 1.00 0.00 H new ATOM 0 HA ASP C 62 89.649 -0.584 -12.618 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.332 1.276 -12.880 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.326 0.531 -11.644 1.00 0.00 H new ATOM 966 N GLU C 63 90.958 -1.510 -9.792 1.00 0.00 N ATOM 967 CA GLU C 63 91.367 -2.666 -8.997 1.00 0.00 C ATOM 968 C GLU C 63 90.178 -3.581 -8.720 1.00 0.00 C ATOM 969 O GLU C 63 90.346 -4.727 -8.301 1.00 0.00 O ATOM 970 CB GLU C 63 91.970 -2.218 -7.662 1.00 0.00 C ATOM 971 CG GLU C 63 92.619 -0.842 -7.826 1.00 0.00 C ATOM 972 CD GLU C 63 93.657 -0.635 -6.728 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.099 -1.622 -6.163 1.00 0.00 O ATOM 974 OE2 GLU C 63 93.994 0.509 -6.468 1.00 0.00 O ATOM 0 H GLU C 63 90.834 -0.648 -9.261 1.00 0.00 H new ATOM 0 HA GLU C 63 92.117 -3.211 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU C 63 91.194 -2.176 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.711 -2.943 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU C 63 93.090 -0.765 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.860 -0.062 -7.775 1.00 0.00 H new ATOM 981 N VAL C 64 88.973 -3.064 -8.947 1.00 0.00 N ATOM 982 CA VAL C 64 87.764 -3.852 -8.706 1.00 0.00 C ATOM 983 C VAL C 64 86.889 -3.921 -9.960 1.00 0.00 C ATOM 984 O VAL C 64 85.986 -4.753 -10.054 1.00 0.00 O ATOM 985 CB VAL C 64 86.953 -3.247 -7.552 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.905 -2.756 -6.461 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.118 -2.065 -8.058 1.00 0.00 C ATOM 0 H VAL C 64 88.807 -2.119 -9.292 1.00 0.00 H new ATOM 0 HA VAL C 64 88.076 -4.863 -8.442 1.00 0.00 H new ATOM 0 HB VAL C 64 86.289 -4.011 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL C 64 87.329 -2.326 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL C 64 88.495 -3.594 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.571 -1.998 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.546 -1.643 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.779 -1.302 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.434 -2.409 -8.834 1.00 0.00 H new ATOM 997 N ASP C 65 87.157 -3.036 -10.915 1.00 0.00 N ATOM 998 CA ASP C 65 86.377 -3.006 -12.149 1.00 0.00 C ATOM 999 C ASP C 65 86.998 -3.911 -13.208 1.00 0.00 C ATOM 1000 O ASP C 65 87.469 -3.444 -14.245 1.00 0.00 O ATOM 1001 CB ASP C 65 86.297 -1.580 -12.698 1.00 0.00 C ATOM 1002 CG ASP C 65 84.974 -0.948 -12.281 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.294 -1.533 -11.454 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.659 0.112 -12.796 1.00 0.00 O ATOM 0 H ASP C 65 87.899 -2.338 -10.861 1.00 0.00 H new ATOM 0 HA ASP C 65 85.375 -3.365 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.130 -0.987 -12.321 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.380 -1.592 -13.785 1.00 0.00 H new ATOM 1009 N GLU C 66 86.986 -5.214 -12.941 1.00 0.00 N ATOM 1010 CA GLU C 66 87.543 -6.177 -13.887 1.00 0.00 C ATOM 1011 C GLU C 66 86.497 -6.547 -14.933 1.00 0.00 C ATOM 1012 O GLU C 66 86.820 -7.063 -16.003 1.00 0.00 O ATOM 1013 CB GLU C 66 88.000 -7.445 -13.165 1.00 0.00 C ATOM 1014 CG GLU C 66 89.529 -7.477 -13.112 1.00 0.00 C ATOM 1015 CD GLU C 66 90.009 -8.924 -13.085 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.330 -9.741 -12.484 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.047 -9.194 -13.664 1.00 0.00 O ATOM 0 H GLU C 66 86.602 -5.624 -12.089 1.00 0.00 H new ATOM 0 HA GLU C 66 88.403 -5.716 -14.373 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.590 -7.470 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.625 -8.327 -13.683 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.944 -6.962 -13.978 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.884 -6.949 -12.227 1.00 0.00 H new ATOM 1024 N ASP C 67 85.236 -6.268 -14.611 1.00 0.00 N ATOM 1025 CA ASP C 67 84.139 -6.566 -15.527 1.00 0.00 C ATOM 1026 C ASP C 67 84.007 -5.456 -16.564 1.00 0.00 C ATOM 1027 O ASP C 67 83.573 -5.687 -17.692 1.00 0.00 O ATOM 1028 CB ASP C 67 82.820 -6.689 -14.762 1.00 0.00 C ATOM 1029 CG ASP C 67 82.522 -5.373 -14.052 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.460 -4.637 -13.791 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.360 -5.119 -13.779 1.00 0.00 O ATOM 0 H ASP C 67 84.950 -5.840 -13.730 1.00 0.00 H new ATOM 0 HA ASP C 67 84.358 -7.511 -16.024 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.010 -6.936 -15.449 1.00 0.00 H new ATOM 0 HB3 ASP C 67 82.882 -7.500 -14.037 1.00 0.00 H new ATOM 1036 N GLY C 68 84.389 -4.246 -16.163 1.00 0.00 N ATOM 1037 CA GLY C 68 84.312 -3.096 -17.058 1.00 0.00 C ATOM 1038 C GLY C 68 83.017 -2.323 -16.834 1.00 0.00 C ATOM 1039 O GLY C 68 82.523 -1.637 -17.729 1.00 0.00 O ATOM 0 H GLY C 68 84.752 -4.038 -15.233 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.166 -2.440 -16.890 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.367 -3.431 -18.094 1.00 0.00 H new ATOM 1043 N SER C 69 82.472 -2.443 -15.626 1.00 0.00 N ATOM 1044 CA SER C 69 81.229 -1.752 -15.289 1.00 0.00 C ATOM 1045 C SER C 69 81.491 -0.267 -15.057 1.00 0.00 C ATOM 1046 O SER C 69 80.608 0.570 -15.244 1.00 0.00 O ATOM 1047 CB SER C 69 80.607 -2.350 -14.028 1.00 0.00 C ATOM 1048 OG SER C 69 81.641 -2.809 -13.166 1.00 0.00 O ATOM 0 H SER C 69 82.865 -3.005 -14.871 1.00 0.00 H new ATOM 0 HA SER C 69 80.540 -1.874 -16.125 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.999 -1.602 -13.519 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.945 -3.175 -14.291 1.00 0.00 H new ATOM 1054 N GLY C 70 82.715 0.049 -14.646 1.00 0.00 N ATOM 1055 CA GLY C 70 83.088 1.437 -14.389 1.00 0.00 C ATOM 1056 C GLY C 70 82.573 1.896 -13.029 1.00 0.00 C ATOM 1057 O GLY C 70 82.603 3.084 -12.707 1.00 0.00 O ATOM 0 H GLY C 70 83.460 -0.629 -14.485 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.173 1.539 -14.425 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.682 2.078 -15.171 1.00 0.00 H new ATOM 1061 N THR C 71 82.100 0.941 -12.232 1.00 0.00 N ATOM 1062 CA THR C 71 81.579 1.259 -10.905 1.00 0.00 C ATOM 1063 C THR C 71 81.851 0.109 -9.939 1.00 0.00 C ATOM 1064 O THR C 71 82.314 -0.959 -10.339 1.00 0.00 O ATOM 1065 CB THR C 71 80.073 1.512 -10.970 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.520 0.792 -12.063 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.810 3.008 -11.156 1.00 0.00 C ATOM 0 H THR C 71 82.067 -0.048 -12.478 1.00 0.00 H new ATOM 0 HA THR C 71 82.082 2.158 -10.550 1.00 0.00 H new ATOM 0 HB THR C 71 79.609 1.178 -10.042 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.554 0.952 -12.105 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.736 3.186 -11.202 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.233 3.559 -10.316 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.274 3.347 -12.083 1.00 0.00 H new ATOM 1075 N VAL C 72 81.562 0.341 -8.661 1.00 0.00 N ATOM 1076 CA VAL C 72 81.784 -0.684 -7.645 1.00 0.00 C ATOM 1077 C VAL C 72 80.496 -0.974 -6.881 1.00 0.00 C ATOM 1078 O VAL C 72 80.223 -0.373 -5.842 1.00 0.00 O ATOM 1079 CB VAL C 72 82.862 -0.233 -6.659 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.527 -1.461 -6.035 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.916 0.594 -7.400 1.00 0.00 C ATOM 0 H VAL C 72 81.179 1.218 -8.307 1.00 0.00 H new ATOM 0 HA VAL C 72 82.112 -1.592 -8.151 1.00 0.00 H new ATOM 0 HB VAL C 72 82.407 0.373 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.296 -1.141 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.778 -2.053 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.982 -2.066 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.685 0.916 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.371 -0.013 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.444 1.469 -7.847 1.00 0.00 H new ATOM 1091 N ASP C 73 79.711 -1.910 -7.407 1.00 0.00 N ATOM 1092 CA ASP C 73 78.451 -2.286 -6.771 1.00 0.00 C ATOM 1093 C ASP C 73 78.690 -2.702 -5.322 1.00 0.00 C ATOM 1094 O ASP C 73 79.783 -2.526 -4.782 1.00 0.00 O ATOM 1095 CB ASP C 73 77.801 -3.447 -7.528 1.00 0.00 C ATOM 1096 CG ASP C 73 78.804 -4.584 -7.676 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.313 -5.036 -6.663 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.050 -4.988 -8.801 1.00 0.00 O ATOM 0 H ASP C 73 79.922 -2.419 -8.265 1.00 0.00 H new ATOM 0 HA ASP C 73 77.787 -1.422 -6.793 1.00 0.00 H new ATOM 0 HB2 ASP C 73 76.918 -3.795 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.467 -3.113 -8.510 1.00 0.00 H new ATOM 1103 N PHE C 74 77.651 -3.248 -4.700 1.00 0.00 N ATOM 1104 CA PHE C 74 77.739 -3.682 -3.308 1.00 0.00 C ATOM 1105 C PHE C 74 78.610 -4.932 -3.177 1.00 0.00 C ATOM 1106 O PHE C 74 78.960 -5.347 -2.073 1.00 0.00 O ATOM 1107 CB PHE C 74 76.339 -3.991 -2.771 1.00 0.00 C ATOM 1108 CG PHE C 74 76.417 -4.338 -1.303 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.699 -5.651 -0.907 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.201 -3.347 -0.338 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.767 -5.973 0.453 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.269 -3.669 1.023 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.553 -4.982 1.419 1.00 0.00 C ATOM 0 H PHE C 74 76.741 -3.401 -5.134 1.00 0.00 H new ATOM 0 HA PHE C 74 78.191 -2.875 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE C 74 75.686 -3.130 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.901 -4.820 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.864 -6.416 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE C 74 75.982 -2.334 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.985 -6.986 0.758 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.102 -2.905 1.768 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.607 -5.230 2.469 1.00 0.00 H new ATOM 1123 N ASP C 75 78.951 -5.532 -4.315 1.00 0.00 N ATOM 1124 CA ASP C 75 79.772 -6.742 -4.307 1.00 0.00 C ATOM 1125 C ASP C 75 81.260 -6.404 -4.381 1.00 0.00 C ATOM 1126 O ASP C 75 81.952 -6.359 -3.365 1.00 0.00 O ATOM 1127 CB ASP C 75 79.410 -7.641 -5.491 1.00 0.00 C ATOM 1128 CG ASP C 75 78.639 -8.856 -4.986 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.806 -9.199 -3.828 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.893 -9.426 -5.766 1.00 0.00 O ATOM 0 H ASP C 75 78.677 -5.207 -5.242 1.00 0.00 H new ATOM 0 HA ASP C 75 79.573 -7.264 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP C 75 78.808 -7.088 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.314 -7.960 -6.010 1.00 0.00 H new ATOM 1135 N GLU C 76 81.745 -6.186 -5.601 1.00 0.00 N ATOM 1136 CA GLU C 76 83.159 -5.872 -5.807 1.00 0.00 C ATOM 1137 C GLU C 76 83.663 -4.887 -4.754 1.00 0.00 C ATOM 1138 O GLU C 76 84.851 -4.859 -4.436 1.00 0.00 O ATOM 1139 CB GLU C 76 83.391 -5.274 -7.200 1.00 0.00 C ATOM 1140 CG GLU C 76 82.178 -4.443 -7.627 1.00 0.00 C ATOM 1141 CD GLU C 76 82.485 -3.739 -8.944 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.653 -3.517 -9.216 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.547 -3.433 -9.661 1.00 0.00 O ATOM 0 H GLU C 76 81.188 -6.220 -6.455 1.00 0.00 H new ATOM 0 HA GLU C 76 83.712 -6.807 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.284 -4.649 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.567 -6.072 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.305 -5.085 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU C 76 81.937 -3.710 -6.858 1.00 0.00 H new ATOM 1150 N PHE C 77 82.753 -4.081 -4.215 1.00 0.00 N ATOM 1151 CA PHE C 77 83.134 -3.102 -3.198 1.00 0.00 C ATOM 1152 C PHE C 77 83.599 -3.802 -1.923 1.00 0.00 C ATOM 1153 O PHE C 77 84.793 -3.865 -1.632 1.00 0.00 O ATOM 1154 CB PHE C 77 81.956 -2.182 -2.859 1.00 0.00 C ATOM 1155 CG PHE C 77 82.344 -1.244 -1.735 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.695 -1.033 -1.425 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.350 -0.586 -1.002 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.048 -0.166 -0.385 1.00 0.00 C ATOM 1159 CE2 PHE C 77 81.704 0.281 0.039 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.053 0.491 0.347 1.00 0.00 C ATOM 0 H PHE C 77 81.763 -4.084 -4.459 1.00 0.00 H new ATOM 0 HA PHE C 77 83.951 -2.507 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.666 -1.609 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.091 -2.777 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.464 -1.540 -1.989 1.00 0.00 H new ATOM 0 HD2 PHE C 77 80.309 -0.747 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.089 -0.004 -0.147 1.00 0.00 H new ATOM 0 HE2 PHE C 77 80.936 0.788 0.604 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.326 1.160 1.150 1.00 0.00 H new ATOM 1170 N LEU C 78 82.639 -4.319 -1.163 1.00 0.00 N ATOM 1171 CA LEU C 78 82.954 -5.007 0.088 1.00 0.00 C ATOM 1172 C LEU C 78 84.178 -5.906 -0.072 1.00 0.00 C ATOM 1173 O LEU C 78 84.936 -6.117 0.874 1.00 0.00 O ATOM 1174 CB LEU C 78 81.769 -5.864 0.538 1.00 0.00 C ATOM 1175 CG LEU C 78 80.931 -5.087 1.554 1.00 0.00 C ATOM 1176 CD1 LEU C 78 79.446 -5.344 1.293 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.287 -5.551 2.969 1.00 0.00 C ATOM 0 H LEU C 78 81.645 -4.277 -1.387 1.00 0.00 H new ATOM 0 HA LEU C 78 83.166 -4.244 0.837 1.00 0.00 H new ATOM 0 HB2 LEU C 78 81.157 -6.136 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU C 78 82.127 -6.793 0.981 1.00 0.00 H new ATOM 0 HG LEU C 78 81.138 -4.021 1.457 1.00 0.00 H new ATOM 0 HD11 LEU C 78 78.848 -4.790 2.017 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.192 -5.015 0.285 1.00 0.00 H new ATOM 0 HD13 LEU C 78 79.239 -6.410 1.390 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.690 -4.998 3.694 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.079 -6.617 3.066 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.345 -5.369 3.156 1.00 0.00 H new ATOM 1189 N VAL C 79 84.360 -6.438 -1.277 1.00 0.00 N ATOM 1190 CA VAL C 79 85.494 -7.320 -1.545 1.00 0.00 C ATOM 1191 C VAL C 79 86.813 -6.577 -1.353 1.00 0.00 C ATOM 1192 O VAL C 79 87.570 -6.854 -0.424 1.00 0.00 O ATOM 1193 CB VAL C 79 85.430 -7.857 -2.976 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.455 -8.980 -3.147 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.028 -8.405 -3.253 1.00 0.00 C ATOM 0 H VAL C 79 83.746 -6.277 -2.075 1.00 0.00 H new ATOM 0 HA VAL C 79 85.442 -8.151 -0.841 1.00 0.00 H new ATOM 0 HB VAL C 79 85.652 -7.051 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.409 -9.362 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.455 -8.593 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.232 -9.785 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL C 79 83.982 -8.788 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL C 79 83.807 -9.211 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.295 -7.607 -3.131 1.00 0.00 H new ATOM 1205 N MET C 80 87.079 -5.631 -2.249 1.00 0.00 N ATOM 1206 CA MET C 80 88.312 -4.849 -2.182 1.00 0.00 C ATOM 1207 C MET C 80 88.701 -4.562 -0.733 1.00 0.00 C ATOM 1208 O MET C 80 89.883 -4.469 -0.402 1.00 0.00 O ATOM 1209 CB MET C 80 88.139 -3.521 -2.921 1.00 0.00 C ATOM 1210 CG MET C 80 89.360 -2.634 -2.671 1.00 0.00 C ATOM 1211 SD MET C 80 89.879 -1.869 -4.227 1.00 0.00 S ATOM 1212 CE MET C 80 89.293 -0.195 -3.866 1.00 0.00 C ATOM 0 H MET C 80 86.463 -5.388 -3.025 1.00 0.00 H new ATOM 0 HA MET C 80 89.101 -5.435 -2.654 1.00 0.00 H new ATOM 0 HB2 MET C 80 88.019 -3.700 -3.989 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.235 -3.018 -2.579 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.120 -1.864 -1.937 1.00 0.00 H new ATOM 0 HG3 MET C 80 90.175 -3.227 -2.255 1.00 0.00 H new ATOM 0 HE1 MET C 80 88.583 0.115 -4.632 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.804 -0.183 -2.892 1.00 0.00 H new ATOM 0 HE3 MET C 80 90.139 0.492 -3.856 1.00 0.00 H new ATOM 1222 N MET C 81 87.695 -4.414 0.124 1.00 0.00 N ATOM 1223 CA MET C 81 87.948 -4.127 1.534 1.00 0.00 C ATOM 1224 C MET C 81 88.422 -5.377 2.268 1.00 0.00 C ATOM 1225 O MET C 81 89.388 -5.339 3.030 1.00 0.00 O ATOM 1226 CB MET C 81 86.677 -3.610 2.211 1.00 0.00 C ATOM 1227 CG MET C 81 86.006 -2.566 1.316 1.00 0.00 C ATOM 1228 SD MET C 81 86.571 -0.914 1.789 1.00 0.00 S ATOM 1229 CE MET C 81 87.850 -0.743 0.522 1.00 0.00 C ATOM 0 H MET C 81 86.709 -4.487 -0.127 1.00 0.00 H new ATOM 0 HA MET C 81 88.726 -3.365 1.580 1.00 0.00 H new ATOM 0 HB2 MET C 81 85.992 -4.436 2.400 1.00 0.00 H new ATOM 0 HB3 MET C 81 86.921 -3.171 3.178 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.247 -2.759 0.271 1.00 0.00 H new ATOM 0 HG3 MET C 81 84.922 -2.632 1.411 1.00 0.00 H new ATOM 0 HE1 MET C 81 88.814 -0.569 1.000 1.00 0.00 H new ATOM 0 HE2 MET C 81 87.899 -1.656 -0.071 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.609 0.099 -0.127 1.00 0.00 H new ATOM 1239 N VAL C 82 87.726 -6.484 2.036 1.00 0.00 N ATOM 1240 CA VAL C 82 88.076 -7.743 2.687 1.00 0.00 C ATOM 1241 C VAL C 82 89.484 -8.185 2.297 1.00 0.00 C ATOM 1242 O VAL C 82 90.368 -8.309 3.144 1.00 0.00 O ATOM 1243 CB VAL C 82 87.085 -8.838 2.297 1.00 0.00 C ATOM 1244 CG1 VAL C 82 87.301 -10.064 3.186 1.00 0.00 C ATOM 1245 CG2 VAL C 82 85.657 -8.319 2.483 1.00 0.00 C ATOM 0 H VAL C 82 86.924 -6.537 1.409 1.00 0.00 H new ATOM 0 HA VAL C 82 88.038 -7.581 3.764 1.00 0.00 H new ATOM 0 HB VAL C 82 87.241 -9.115 1.254 1.00 0.00 H new ATOM 0 HG11 VAL C 82 86.593 -10.845 2.907 1.00 0.00 H new ATOM 0 HG12 VAL C 82 88.318 -10.433 3.056 1.00 0.00 H new ATOM 0 HG13 VAL C 82 87.145 -9.789 4.229 1.00 0.00 H new ATOM 0 HG21 VAL C 82 84.948 -9.099 2.205 1.00 0.00 H new ATOM 0 HG22 VAL C 82 85.503 -8.043 3.526 1.00 0.00 H new ATOM 0 HG23 VAL C 82 85.502 -7.445 1.850 1.00 0.00 H new ATOM 1255 N ARG C 83 89.680 -8.431 1.003 1.00 0.00 N ATOM 1256 CA ARG C 83 90.984 -8.869 0.508 1.00 0.00 C ATOM 1257 C ARG C 83 92.111 -8.065 1.153 1.00 0.00 C ATOM 1258 O ARG C 83 93.241 -8.539 1.268 1.00 0.00 O ATOM 1259 CB ARG C 83 91.062 -8.716 -1.014 1.00 0.00 C ATOM 1260 CG ARG C 83 91.261 -7.243 -1.382 1.00 0.00 C ATOM 1261 CD ARG C 83 91.381 -7.117 -2.902 1.00 0.00 C ATOM 1262 NE ARG C 83 92.599 -7.768 -3.380 1.00 0.00 N ATOM 1263 CZ ARG C 83 93.753 -7.107 -3.475 1.00 0.00 C ATOM 1264 NH1 ARG C 83 93.830 -5.852 -3.120 1.00 0.00 N ATOM 1265 NH2 ARG C 83 94.816 -7.722 -3.918 1.00 0.00 N ATOM 0 H ARG C 83 88.962 -8.336 0.285 1.00 0.00 H new ATOM 0 HA ARG C 83 91.101 -9.920 0.772 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.886 -9.312 -1.406 1.00 0.00 H new ATOM 0 HB3 ARG C 83 90.149 -9.094 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG C 83 90.422 -6.649 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG C 83 92.158 -6.853 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.511 -7.568 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.390 -6.064 -3.185 1.00 0.00 H new ATOM 0 HE ARG C 83 92.565 -8.752 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG C 83 93.003 -5.370 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG C 83 94.717 -5.354 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG C 83 94.761 -8.704 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG C 83 95.701 -7.221 -3.993 1.00 0.00 H new ATOM 1279 N CYS C 84 91.794 -6.844 1.570 1.00 0.00 N ATOM 1280 CA CYS C 84 92.792 -5.985 2.201 1.00 0.00 C ATOM 1281 C CYS C 84 92.990 -6.382 3.660 1.00 0.00 C ATOM 1282 O CYS C 84 94.095 -6.299 4.197 1.00 0.00 O ATOM 1283 CB CYS C 84 92.360 -4.519 2.136 1.00 0.00 C ATOM 1284 SG CYS C 84 92.588 -3.897 0.452 1.00 0.00 S ATOM 0 H CYS C 84 90.866 -6.430 1.485 1.00 0.00 H new ATOM 0 HA CYS C 84 93.730 -6.108 1.660 1.00 0.00 H new ATOM 0 HB2 CYS C 84 91.315 -4.423 2.432 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.946 -3.925 2.837 1.00 0.00 H new ATOM 0 HG CYS C 84 91.507 -4.108 -0.239 1.00 0.00 H new ATOM 1290 N MET C 85 91.905 -6.817 4.295 1.00 0.00 N ATOM 1291 CA MET C 85 91.969 -7.228 5.695 1.00 0.00 C ATOM 1292 C MET C 85 92.968 -8.368 5.871 1.00 0.00 C ATOM 1293 O MET C 85 93.441 -8.632 6.976 1.00 0.00 O ATOM 1294 CB MET C 85 90.594 -7.692 6.183 1.00 0.00 C ATOM 1295 CG MET C 85 89.541 -6.634 5.843 1.00 0.00 C ATOM 1296 SD MET C 85 90.089 -5.017 6.445 1.00 0.00 S ATOM 1297 CE MET C 85 88.752 -4.039 5.714 1.00 0.00 C ATOM 0 H MET C 85 90.981 -6.894 3.869 1.00 0.00 H new ATOM 0 HA MET C 85 92.290 -6.368 6.282 1.00 0.00 H new ATOM 0 HB2 MET C 85 90.333 -8.642 5.716 1.00 0.00 H new ATOM 0 HB3 MET C 85 90.618 -7.862 7.259 1.00 0.00 H new ATOM 0 HG2 MET C 85 89.382 -6.597 4.765 1.00 0.00 H new ATOM 0 HG3 MET C 85 88.586 -6.898 6.297 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.169 -3.328 5.001 1.00 0.00 H new ATOM 0 HE2 MET C 85 88.055 -4.702 5.201 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.226 -3.497 6.500 1.00 0.00 H new ATOM 1307 N LYS C 86 93.282 -9.042 4.768 1.00 0.00 N ATOM 1308 CA LYS C 86 94.225 -10.157 4.811 1.00 0.00 C ATOM 1309 C LYS C 86 95.647 -9.667 4.555 1.00 0.00 C ATOM 1310 O LYS C 86 96.489 -9.666 5.453 1.00 0.00 O ATOM 1311 CB LYS C 86 93.863 -11.208 3.761 1.00 0.00 C ATOM 1312 CG LYS C 86 92.361 -11.493 3.821 1.00 0.00 C ATOM 1313 CD LYS C 86 92.047 -12.321 5.069 1.00 0.00 C ATOM 1314 CE LYS C 86 91.273 -13.578 4.666 1.00 0.00 C ATOM 1315 NZ LYS C 86 91.866 -14.766 5.344 1.00 0.00 N ATOM 0 H LYS C 86 92.903 -8.839 3.843 1.00 0.00 H new ATOM 0 HA LYS C 86 94.169 -10.603 5.804 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.137 -10.854 2.767 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.425 -12.125 3.940 1.00 0.00 H new ATOM 0 HG2 LYS C 86 91.803 -10.557 3.843 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.046 -12.030 2.927 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.971 -12.597 5.577 1.00 0.00 H new ATOM 0 HD3 LYS C 86 91.461 -11.730 5.773 1.00 0.00 H new ATOM 0 HE2 LYS C 86 90.223 -13.475 4.941 1.00 0.00 H new ATOM 0 HE3 LYS C 86 91.308 -13.708 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 91.340 -15.620 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 92.862 -14.867 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 91.811 -14.641 6.375 1.00 0.00 H new ATOM 1329 N ASP C 87 95.905 -9.252 3.318 1.00 0.00 N ATOM 1330 CA ASP C 87 97.230 -8.761 2.950 1.00 0.00 C ATOM 1331 C ASP C 87 97.189 -7.257 2.697 1.00 0.00 C ATOM 1332 O ASP C 87 97.451 -6.790 1.588 1.00 0.00 O ATOM 1333 CB ASP C 87 97.731 -9.470 1.689 1.00 0.00 C ATOM 1334 CG ASP C 87 98.023 -10.932 2.012 1.00 0.00 C ATOM 1335 OD1 ASP C 87 97.715 -11.346 3.117 1.00 0.00 O ATOM 1336 OD2 ASP C 87 98.550 -11.615 1.150 1.00 0.00 O ATOM 0 H ASP C 87 95.222 -9.245 2.560 1.00 0.00 H new ATOM 0 HA ASP C 87 97.910 -8.970 3.776 1.00 0.00 H new ATOM 0 HB2 ASP C 87 96.983 -9.403 0.899 1.00 0.00 H new ATOM 0 HB3 ASP C 87 98.632 -8.981 1.317 1.00 0.00 H new ATOM 1341 N ASP C 88 96.856 -6.504 3.742 1.00 0.00 N ATOM 1342 CA ASP C 88 96.779 -5.049 3.632 1.00 0.00 C ATOM 1343 C ASP C 88 97.953 -4.513 2.818 1.00 0.00 C ATOM 1344 O ASP C 88 98.945 -5.208 2.600 1.00 0.00 O ATOM 1345 CB ASP C 88 96.800 -4.404 5.019 1.00 0.00 C ATOM 1346 CG ASP C 88 95.370 -4.209 5.512 1.00 0.00 C ATOM 1347 OD1 ASP C 88 94.582 -3.642 4.773 1.00 0.00 O ATOM 1348 OD2 ASP C 88 95.084 -4.629 6.621 1.00 0.00 O ATOM 0 H ASP C 88 96.637 -6.873 4.667 1.00 0.00 H new ATOM 0 HA ASP C 88 95.844 -4.800 3.130 1.00 0.00 H new ATOM 0 HB2 ASP C 88 97.353 -5.033 5.716 1.00 0.00 H new ATOM 0 HB3 ASP C 88 97.316 -3.445 4.978 1.00 0.00 H new ATOM 1353 N SER C 89 97.829 -3.266 2.374 1.00 0.00 N ATOM 1354 CA SER C 89 98.886 -2.641 1.584 1.00 0.00 C ATOM 1355 C SER C 89 98.966 -1.148 1.885 1.00 0.00 C ATOM 1356 O SER C 89 100.061 -0.612 1.835 1.00 0.00 O ATOM 1357 CB SER C 89 98.625 -2.834 0.090 1.00 0.00 C ATOM 1358 OG SER C 89 99.722 -2.315 -0.651 1.00 0.00 O ATOM 1359 OXT SER C 89 97.932 -0.563 2.163 1.00 0.00 O ATOM 0 H SER C 89 97.017 -2.673 2.545 1.00 0.00 H new ATOM 0 HA SER C 89 99.830 -3.117 1.852 1.00 0.00 H new ATOM 0 HB2 SER C 89 98.489 -3.892 -0.133 1.00 0.00 H new ATOM 0 HB3 SER C 89 97.704 -2.327 -0.198 1.00 0.00 H new ATOM 0 HG SER C 89 99.558 -2.439 -1.609 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 147 95.278 1.730 4.140 1.00 0.00 N ATOM 1367 CA ARG I 147 95.117 1.761 5.621 1.00 0.00 C ATOM 1368 C ARG I 147 93.632 1.742 5.970 1.00 0.00 C ATOM 1369 O ARG I 147 93.102 2.689 6.550 1.00 0.00 O ATOM 1370 CB ARG I 147 95.756 3.035 6.178 1.00 0.00 C ATOM 1371 CG ARG I 147 96.246 2.780 7.605 1.00 0.00 C ATOM 1372 CD ARG I 147 96.619 4.110 8.262 1.00 0.00 C ATOM 1373 NE ARG I 147 97.584 3.901 9.339 1.00 0.00 N ATOM 1374 CZ ARG I 147 97.833 4.857 10.231 1.00 0.00 C ATOM 1375 NH1 ARG I 147 97.216 6.004 10.147 1.00 0.00 N ATOM 1376 NH2 ARG I 147 98.694 4.648 11.188 1.00 0.00 N ATOM 0 HA ARG I 147 95.605 0.890 6.058 1.00 0.00 H new ATOM 0 HB2 ARG I 147 96.589 3.343 5.546 1.00 0.00 H new ATOM 0 HB3 ARG I 147 95.032 3.850 6.171 1.00 0.00 H new ATOM 0 HG2 ARG I 147 95.469 2.282 8.184 1.00 0.00 H new ATOM 0 HG3 ARG I 147 97.109 2.115 7.591 1.00 0.00 H new ATOM 0 HD2 ARG I 147 97.039 4.785 7.516 1.00 0.00 H new ATOM 0 HD3 ARG I 147 95.724 4.590 8.657 1.00 0.00 H new ATOM 0 HE ARG I 147 98.074 3.009 9.408 1.00 0.00 H new ATOM 0 HH11 ARG I 147 96.543 6.168 9.398 1.00 0.00 H new ATOM 0 HH12 ARG I 147 97.407 6.737 10.830 1.00 0.00 H new ATOM 0 HH21 ARG I 147 99.177 3.752 11.253 1.00 0.00 H new ATOM 0 HH22 ARG I 147 98.885 5.381 11.871 1.00 0.00 H new ATOM 1392 N ILE I 148 92.968 0.648 5.608 1.00 0.00 N ATOM 1393 CA ILE I 148 91.541 0.508 5.885 1.00 0.00 C ATOM 1394 C ILE I 148 91.284 -0.725 6.744 1.00 0.00 C ATOM 1395 O ILE I 148 90.621 -1.670 6.318 1.00 0.00 O ATOM 1396 CB ILE I 148 90.751 0.378 4.582 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.232 1.437 3.587 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.262 0.585 4.864 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.444 1.310 2.281 1.00 0.00 C ATOM 0 H ILE I 148 93.389 -0.147 5.127 1.00 0.00 H new ATOM 0 HA ILE I 148 91.215 1.400 6.420 1.00 0.00 H new ATOM 0 HB ILE I 148 90.906 -0.615 4.161 1.00 0.00 H new ATOM 0 HG12 ILE I 148 91.099 2.433 4.008 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.298 1.312 3.394 1.00 0.00 H new ATOM 0 HG21 ILE I 148 88.699 0.492 3.935 1.00 0.00 H new ATOM 0 HG22 ILE I 148 88.918 -0.168 5.573 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.106 1.578 5.285 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.788 2.065 1.574 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.600 0.318 1.857 1.00 0.00 H new ATOM 0 HD13 ILE I 148 89.383 1.457 2.481 1.00 0.00 H new ATOM 1411 N SER I 149 91.820 -0.705 7.961 1.00 0.00 N ATOM 1412 CA SER I 149 91.646 -1.829 8.876 1.00 0.00 C ATOM 1413 C SER I 149 90.217 -1.866 9.409 1.00 0.00 C ATOM 1414 O SER I 149 89.631 -2.935 9.578 1.00 0.00 O ATOM 1415 CB SER I 149 92.613 -1.715 10.054 1.00 0.00 C ATOM 1416 OG SER I 149 92.133 -0.731 10.962 1.00 0.00 O ATOM 0 H SER I 149 92.372 0.067 8.334 1.00 0.00 H new ATOM 0 HA SER I 149 91.853 -2.746 8.324 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.706 -2.677 10.558 1.00 0.00 H new ATOM 0 HB3 SER I 149 93.607 -1.444 9.698 1.00 0.00 H new ATOM 0 HG SER I 149 92.750 -0.656 11.720 1.00 0.00 H new ATOM 1422 N ALA I 150 89.664 -0.686 9.671 1.00 0.00 N ATOM 1423 CA ALA I 150 88.301 -0.594 10.185 1.00 0.00 C ATOM 1424 C ALA I 150 88.012 0.818 10.685 1.00 0.00 C ATOM 1425 O ALA I 150 86.884 1.303 10.602 1.00 0.00 O ATOM 1426 CB ALA I 150 88.096 -1.581 11.336 1.00 0.00 C ATOM 0 H ALA I 150 90.132 0.211 9.538 1.00 0.00 H new ATOM 0 HA ALA I 150 87.618 -0.837 9.371 1.00 0.00 H new ATOM 0 HB1 ALA I 150 87.075 -1.499 11.708 1.00 0.00 H new ATOM 0 HB2 ALA I 150 88.273 -2.596 10.981 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.794 -1.352 12.141 1.00 0.00 H new ATOM 1432 N ASP I 151 89.047 1.471 11.206 1.00 0.00 N ATOM 1433 CA ASP I 151 88.898 2.830 11.721 1.00 0.00 C ATOM 1434 C ASP I 151 88.507 3.788 10.600 1.00 0.00 C ATOM 1435 O ASP I 151 87.502 4.494 10.690 1.00 0.00 O ATOM 1436 CB ASP I 151 90.206 3.308 12.355 1.00 0.00 C ATOM 1437 CG ASP I 151 90.639 2.322 13.434 1.00 0.00 C ATOM 1438 OD1 ASP I 151 89.831 1.485 13.803 1.00 0.00 O ATOM 1439 OD2 ASP I 151 91.772 2.417 13.878 1.00 0.00 O ATOM 0 H ASP I 151 89.989 1.087 11.283 1.00 0.00 H new ATOM 0 HA ASP I 151 88.112 2.819 12.476 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.981 3.394 11.594 1.00 0.00 H new ATOM 0 HB3 ASP I 151 90.072 4.300 12.787 1.00 0.00 H new ATOM 1444 N ALA I 152 89.313 3.805 9.542 1.00 0.00 N ATOM 1445 CA ALA I 152 89.041 4.682 8.406 1.00 0.00 C ATOM 1446 C ALA I 152 87.639 4.427 7.865 1.00 0.00 C ATOM 1447 O ALA I 152 87.046 5.280 7.204 1.00 0.00 O ATOM 1448 CB ALA I 152 90.057 4.445 7.287 1.00 0.00 C ATOM 0 H ALA I 152 90.150 3.230 9.447 1.00 0.00 H new ATOM 0 HA ALA I 152 89.119 5.713 8.751 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.837 5.108 6.450 1.00 0.00 H new ATOM 0 HB2 ALA I 152 91.061 4.650 7.658 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.997 3.409 6.955 1.00 0.00 H new ATOM 1454 N MET I 153 87.116 3.240 8.155 1.00 0.00 N ATOM 1455 CA MET I 153 85.780 2.874 7.697 1.00 0.00 C ATOM 1456 C MET I 153 84.721 3.547 8.565 1.00 0.00 C ATOM 1457 O MET I 153 83.606 3.812 8.117 1.00 0.00 O ATOM 1458 CB MET I 153 85.590 1.357 7.764 1.00 0.00 C ATOM 1459 CG MET I 153 85.135 0.837 6.398 1.00 0.00 C ATOM 1460 SD MET I 153 83.576 1.632 5.938 1.00 0.00 S ATOM 1461 CE MET I 153 84.233 2.655 4.597 1.00 0.00 C ATOM 0 H MET I 153 87.592 2.521 8.700 1.00 0.00 H new ATOM 0 HA MET I 153 85.671 3.207 6.665 1.00 0.00 H new ATOM 0 HB2 MET I 153 86.524 0.876 8.055 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.851 1.106 8.525 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.897 1.044 5.646 1.00 0.00 H new ATOM 0 HG3 MET I 153 85.007 -0.245 6.433 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.107 3.708 4.848 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.293 2.439 4.460 1.00 0.00 H new ATOM 0 HE3 MET I 153 83.696 2.435 3.675 1.00 0.00 H new ATOM 1471 N MET I 154 85.086 3.819 9.816 1.00 0.00 N ATOM 1472 CA MET I 154 84.163 4.461 10.749 1.00 0.00 C ATOM 1473 C MET I 154 84.207 5.978 10.593 1.00 0.00 C ATOM 1474 O MET I 154 83.183 6.655 10.701 1.00 0.00 O ATOM 1475 CB MET I 154 84.523 4.101 12.191 1.00 0.00 C ATOM 1476 CG MET I 154 83.274 4.204 13.067 1.00 0.00 C ATOM 1477 SD MET I 154 83.135 2.725 14.100 1.00 0.00 S ATOM 1478 CE MET I 154 81.332 2.725 14.247 1.00 0.00 C ATOM 0 H MET I 154 86.005 3.607 10.204 1.00 0.00 H new ATOM 0 HA MET I 154 83.159 4.103 10.522 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.929 3.090 12.235 1.00 0.00 H new ATOM 0 HB3 MET I 154 85.298 4.772 12.562 1.00 0.00 H new ATOM 0 HG2 MET I 154 83.329 5.094 13.694 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.387 4.309 12.442 1.00 0.00 H new ATOM 0 HE1 MET I 154 81.017 1.879 14.857 1.00 0.00 H new ATOM 0 HE2 MET I 154 81.005 3.653 14.717 1.00 0.00 H new ATOM 0 HE3 MET I 154 80.886 2.644 13.256 1.00 0.00 H new ATOM 1488 N GLN I 155 85.405 6.505 10.342 1.00 0.00 N ATOM 1489 CA GLN I 155 85.577 7.947 10.175 1.00 0.00 C ATOM 1490 C GLN I 155 84.372 8.546 9.459 1.00 0.00 C ATOM 1491 O GLN I 155 83.756 9.498 9.939 1.00 0.00 O ATOM 1492 CB GLN I 155 86.839 8.247 9.363 1.00 0.00 C ATOM 1493 CG GLN I 155 88.059 8.219 10.286 1.00 0.00 C ATOM 1494 CD GLN I 155 87.885 9.253 11.393 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.955 10.059 11.357 1.00 0.00 O ATOM 1496 NE2 GLN I 155 88.731 9.277 12.386 1.00 0.00 N ATOM 0 H GLN I 155 86.263 5.961 10.251 1.00 0.00 H new ATOM 0 HA GLN I 155 85.670 8.391 11.166 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.955 7.512 8.567 1.00 0.00 H new ATOM 0 HB3 GLN I 155 86.753 9.223 8.885 1.00 0.00 H new ATOM 0 HG2 GLN I 155 88.178 7.225 10.718 1.00 0.00 H new ATOM 0 HG3 GLN I 155 88.964 8.430 9.716 1.00 0.00 H new ATOM 0 HE21 GLN I 155 89.501 8.609 12.416 1.00 0.00 H new ATOM 0 HE22 GLN I 155 88.622 9.963 13.132 1.00 0.00 H new ATOM 1505 N ALA I 156 84.040 7.972 8.308 1.00 0.00 N ATOM 1506 CA ALA I 156 82.900 8.451 7.532 1.00 0.00 C ATOM 1507 C ALA I 156 81.659 8.523 8.410 1.00 0.00 C ATOM 1508 O ALA I 156 80.991 9.554 8.483 1.00 0.00 O ATOM 1509 CB ALA I 156 82.623 7.517 6.352 1.00 0.00 C ATOM 0 H ALA I 156 84.537 7.183 7.894 1.00 0.00 H new ATOM 0 HA ALA I 156 83.141 9.445 7.156 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.770 7.890 5.785 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.499 7.478 5.705 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.402 6.517 6.724 1.00 0.00 H new ATOM 1515 N LEU I 157 81.355 7.413 9.073 1.00 0.00 N ATOM 1516 CA LEU I 157 80.186 7.356 9.942 1.00 0.00 C ATOM 1517 C LEU I 157 80.562 6.798 11.310 1.00 0.00 C ATOM 1518 O LEU I 157 80.254 5.651 11.635 1.00 0.00 O ATOM 1519 CB LEU I 157 79.108 6.465 9.323 1.00 0.00 C ATOM 1520 CG LEU I 157 78.654 7.053 7.984 1.00 0.00 C ATOM 1521 CD1 LEU I 157 78.290 8.528 8.167 1.00 0.00 C ATOM 1522 CD2 LEU I 157 79.786 6.928 6.960 1.00 0.00 C ATOM 0 H LEU I 157 81.895 6.549 9.027 1.00 0.00 H new ATOM 0 HA LEU I 157 79.803 8.370 10.057 1.00 0.00 H new ATOM 0 HB2 LEU I 157 79.497 5.458 9.175 1.00 0.00 H new ATOM 0 HB3 LEU I 157 78.258 6.382 10.001 1.00 0.00 H new ATOM 0 HG LEU I 157 77.780 6.507 7.628 1.00 0.00 H new ATOM 0 HD11 LEU I 157 77.967 8.944 7.213 1.00 0.00 H new ATOM 0 HD12 LEU I 157 77.482 8.616 8.893 1.00 0.00 H new ATOM 0 HD13 LEU I 157 79.161 9.076 8.526 1.00 0.00 H new ATOM 0 HD21 LEU I 157 79.462 7.347 6.007 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.661 7.471 7.317 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.041 5.877 6.826 1.00 0.00 H new ATOM 1534 N LEU I 158 81.227 7.624 12.111 1.00 0.00 N ATOM 1535 CA LEU I 158 81.637 7.203 13.448 1.00 0.00 C ATOM 1536 C LEU I 158 80.628 7.687 14.484 1.00 0.00 C ATOM 1537 O LEU I 158 80.985 8.353 15.456 1.00 0.00 O ATOM 1538 CB LEU I 158 83.018 7.764 13.793 1.00 0.00 C ATOM 1539 CG LEU I 158 82.936 9.285 13.920 1.00 0.00 C ATOM 1540 CD1 LEU I 158 83.369 9.707 15.326 1.00 0.00 C ATOM 1541 CD2 LEU I 158 83.863 9.930 12.887 1.00 0.00 C ATOM 0 H LEU I 158 81.491 8.577 11.863 1.00 0.00 H new ATOM 0 HA LEU I 158 81.682 6.114 13.460 1.00 0.00 H new ATOM 0 HB2 LEU I 158 83.375 7.330 14.727 1.00 0.00 H new ATOM 0 HB3 LEU I 158 83.736 7.492 13.019 1.00 0.00 H new ATOM 0 HG LEU I 158 81.910 9.609 13.745 1.00 0.00 H new ATOM 0 HD11 LEU I 158 83.310 10.792 15.415 1.00 0.00 H new ATOM 0 HD12 LEU I 158 82.711 9.246 16.063 1.00 0.00 H new ATOM 0 HD13 LEU I 158 84.395 9.384 15.503 1.00 0.00 H new ATOM 0 HD21 LEU I 158 83.807 11.015 12.975 1.00 0.00 H new ATOM 0 HD22 LEU I 158 84.888 9.604 13.064 1.00 0.00 H new ATOM 0 HD23 LEU I 158 83.555 9.631 11.885 1.00 0.00 H new ATOM 1553 N GLY I 159 79.362 7.345 14.262 1.00 0.00 N ATOM 1554 CA GLY I 159 78.301 7.749 15.180 1.00 0.00 C ATOM 1555 C GLY I 159 77.247 8.575 14.452 1.00 0.00 C ATOM 1556 O GLY I 159 76.965 9.714 14.824 1.00 0.00 O ATOM 0 H GLY I 159 79.048 6.795 13.463 1.00 0.00 H new ATOM 0 HA2 GLY I 159 77.838 6.866 15.621 1.00 0.00 H new ATOM 0 HA3 GLY I 159 78.724 8.330 16.000 1.00 0.00 H new ATOM 1560 N ALA I 160 76.669 7.988 13.408 1.00 0.00 N ATOM 1561 CA ALA I 160 75.645 8.678 12.629 1.00 0.00 C ATOM 1562 C ALA I 160 74.330 7.907 12.676 1.00 0.00 C ATOM 1563 O ALA I 160 73.545 7.931 11.728 1.00 0.00 O ATOM 1564 CB ALA I 160 76.086 8.823 11.172 1.00 0.00 C ATOM 0 H ALA I 160 76.889 7.046 13.084 1.00 0.00 H new ATOM 0 HA ALA I 160 75.502 9.667 13.064 1.00 0.00 H new ATOM 0 HB1 ALA I 160 75.310 9.340 10.607 1.00 0.00 H new ATOM 0 HB2 ALA I 160 77.011 9.398 11.127 1.00 0.00 H new ATOM 0 HB3 ALA I 160 76.251 7.835 10.742 1.00 0.00 H new ATOM 1570 N ARG I 161 74.100 7.221 13.791 1.00 0.00 N ATOM 1571 CA ARG I 161 72.876 6.443 13.957 1.00 0.00 C ATOM 1572 C ARG I 161 72.056 6.984 15.123 1.00 0.00 C ATOM 1573 O ARG I 161 70.828 7.048 15.062 1.00 0.00 O ATOM 1574 CB ARG I 161 73.205 4.973 14.221 1.00 0.00 C ATOM 1575 CG ARG I 161 73.295 4.222 12.890 1.00 0.00 C ATOM 1576 CD ARG I 161 72.046 3.358 12.705 1.00 0.00 C ATOM 1577 NE ARG I 161 71.194 3.902 11.651 1.00 0.00 N ATOM 1578 CZ ARG I 161 69.909 3.570 11.571 1.00 0.00 C ATOM 1579 NH1 ARG I 161 69.398 2.734 12.433 1.00 0.00 N ATOM 1580 NH2 ARG I 161 69.161 4.078 10.630 1.00 0.00 N ATOM 0 H ARG I 161 74.738 7.187 14.586 1.00 0.00 H new ATOM 0 HA ARG I 161 72.299 6.525 13.036 1.00 0.00 H new ATOM 0 HB2 ARG I 161 74.148 4.892 14.761 1.00 0.00 H new ATOM 0 HB3 ARG I 161 72.437 4.525 14.852 1.00 0.00 H new ATOM 0 HG2 ARG I 161 73.385 4.930 12.066 1.00 0.00 H new ATOM 0 HG3 ARG I 161 74.188 3.597 12.873 1.00 0.00 H new ATOM 0 HD2 ARG I 161 72.337 2.338 12.454 1.00 0.00 H new ATOM 0 HD3 ARG I 161 71.489 3.309 13.641 1.00 0.00 H new ATOM 0 HE ARG I 161 71.590 4.546 10.966 1.00 0.00 H new ATOM 0 HH11 ARG I 161 69.984 2.336 13.167 1.00 0.00 H new ATOM 0 HH12 ARG I 161 68.412 2.478 12.373 1.00 0.00 H new ATOM 0 HH21 ARG I 161 69.562 4.730 9.956 1.00 0.00 H new ATOM 0 HH22 ARG I 161 68.175 3.823 10.569 1.00 0.00 H new ATOM 1594 N ALA I 162 72.751 7.373 16.189 1.00 0.00 N ATOM 1595 CA ALA I 162 72.078 7.909 17.370 1.00 0.00 C ATOM 1596 C ALA I 162 71.264 6.817 18.056 1.00 0.00 C ATOM 1597 O ALA I 162 71.627 6.332 19.128 1.00 0.00 O ATOM 1598 CB ALA I 162 71.145 9.057 16.983 1.00 0.00 C ATOM 0 H ALA I 162 73.768 7.328 16.260 1.00 0.00 H new ATOM 0 HA ALA I 162 72.842 8.280 18.053 1.00 0.00 H new ATOM 0 HB1 ALA I 162 70.653 9.443 17.876 1.00 0.00 H new ATOM 0 HB2 ALA I 162 71.723 9.853 16.514 1.00 0.00 H new ATOM 0 HB3 ALA I 162 70.393 8.694 16.282 1.00 0.00 H new ATOM 1604 N LYS I 163 70.159 6.435 17.424 1.00 0.00 N ATOM 1605 CA LYS I 163 69.297 5.396 17.980 1.00 0.00 C ATOM 1606 C LYS I 163 68.765 5.819 19.346 1.00 0.00 C ATOM 1607 O LYS I 163 68.418 4.942 20.120 1.00 0.00 O ATOM 1608 CB LYS I 163 70.070 4.085 18.132 1.00 0.00 C ATOM 1609 CG LYS I 163 69.716 3.148 16.978 1.00 0.00 C ATOM 1610 CD LYS I 163 69.094 1.866 17.533 1.00 0.00 C ATOM 1611 CE LYS I 163 68.334 1.143 16.421 1.00 0.00 C ATOM 1612 NZ LYS I 163 66.955 1.700 16.318 1.00 0.00 N ATOM 1613 OXT LYS I 163 68.714 7.011 19.597 1.00 0.00 O ATOM 0 H LYS I 163 69.841 6.824 16.536 1.00 0.00 H new ATOM 0 HA LYS I 163 68.463 5.249 17.294 1.00 0.00 H new ATOM 0 HB2 LYS I 163 71.142 4.281 18.139 1.00 0.00 H new ATOM 0 HB3 LYS I 163 69.826 3.615 19.084 1.00 0.00 H new ATOM 0 HG2 LYS I 163 69.019 3.638 16.298 1.00 0.00 H new ATOM 0 HG3 LYS I 163 70.610 2.911 16.401 1.00 0.00 H new ATOM 0 HD2 LYS I 163 69.872 1.218 17.937 1.00 0.00 H new ATOM 0 HD3 LYS I 163 68.418 2.104 18.355 1.00 0.00 H new ATOM 0 HE2 LYS I 163 68.857 1.261 15.472 1.00 0.00 H new ATOM 0 HE3 LYS I 163 68.291 0.074 16.631 1.00 0.00 H new ATOM 0 HZ1 LYS I 163 66.438 1.208 15.562 1.00 0.00 H new ATOM 0 HZ2 LYS I 163 66.458 1.565 17.222 1.00 0.00 H new ATOM 0 HZ3 LYS I 163 67.006 2.715 16.099 1.00 0.00 H new TER 1627 LYS I 163 HETATM 1628 CA CA C 93 82.875 -3.283 -11.662 1.00 0.00 CA HETATM 1629 C1 BEP C 92 91.084 1.446 -1.292 1.00 0.00 C HETATM 1630 C2 BEP C 92 90.283 2.481 -0.501 1.00 0.00 C HETATM 1631 C3 BEP C 92 89.415 3.363 -1.469 1.00 0.00 C HETATM 1632 O1 BEP C 92 91.457 0.350 -0.420 1.00 0.00 O HETATM 1633 N2 BEP C 92 91.199 3.335 0.311 1.00 0.00 N HETATM 1634 N3 BEP C 92 87.966 3.034 -1.353 1.00 0.00 N HETATM 1635 C4 BEP C 92 92.814 -0.131 -0.586 1.00 0.00 C HETATM 1636 C5 BEP C 92 93.008 -0.584 -2.033 1.00 0.00 C HETATM 1637 C6 BEP C 92 93.563 -2.009 -2.052 1.00 0.00 C HETATM 1638 C7 BEP C 92 93.990 0.355 -2.735 1.00 0.00 C HETATM 1639 C8 BEP C 92 92.485 3.769 -0.300 1.00 0.00 C HETATM 1640 C9 BEP C 92 92.713 5.206 0.201 1.00 0.00 C HETATM 1641 C10 BEP C 92 91.806 5.317 1.436 1.00 0.00 C HETATM 1642 C11 BEP C 92 90.611 4.451 1.090 1.00 0.00 C HETATM 1643 C12 BEP C 92 87.090 4.005 -0.640 1.00 0.00 C HETATM 1644 C13 BEP C 92 87.207 4.048 0.905 1.00 0.00 C HETATM 1645 C14 BEP C 92 87.490 2.877 1.619 1.00 0.00 C HETATM 1646 C15 BEP C 92 87.596 2.917 3.015 1.00 0.00 C HETATM 1647 C16 BEP C 92 87.420 4.129 3.696 1.00 0.00 C HETATM 1648 C17 BEP C 92 87.137 5.300 2.982 1.00 0.00 C HETATM 1649 C18 BEP C 92 87.031 5.260 1.586 1.00 0.00 C HETATM 1650 C19 BEP C 92 87.361 2.335 -2.508 1.00 0.00 C HETATM 1651 C20 BEP C 92 87.788 2.633 -3.808 1.00 0.00 C HETATM 1652 C21 BEP C 92 87.216 1.971 -4.901 1.00 0.00 C HETATM 1653 C22 BEP C 92 86.217 1.011 -4.694 1.00 0.00 C HETATM 1654 C23 BEP C 92 85.791 0.712 -3.394 1.00 0.00 C HETATM 1655 C24 BEP C 92 86.363 1.374 -2.300 1.00 0.00 C HETATM 0 H241 BEP C 92 86.032 1.142 -1.288 1.00 0.00 H new HETATM 0 H231 BEP C 92 85.014 -0.036 -3.233 1.00 0.00 H new HETATM 0 H221 BEP C 92 85.771 0.497 -5.545 1.00 0.00 H new HETATM 0 H211 BEP C 92 87.548 2.203 -5.913 1.00 0.00 H new HETATM 0 H201 BEP C 92 88.565 3.380 -3.969 1.00 0.00 H new HETATM 0 H181 BEP C 92 86.812 6.171 1.030 1.00 0.00 H new HETATM 0 H171 BEP C 92 86.999 6.242 3.512 1.00 0.00 H new HETATM 0 H161 BEP C 92 87.503 4.160 4.782 1.00 0.00 H new HETATM 0 H151 BEP C 92 87.815 2.006 3.571 1.00 0.00 H new HETATM 0 H141 BEP C 92 87.628 1.935 1.089 1.00 0.00 H new HETATM 0 H122 BEP C 92 87.304 5.002 -1.025 1.00 0.00 H new HETATM 0 H121 BEP C 92 86.055 3.780 -0.896 1.00 0.00 H new HETATM 0 H112 BEP C 92 89.873 5.002 0.506 1.00 0.00 H new HETATM 0 H111 BEP C 92 90.105 4.091 1.986 1.00 0.00 H new HETATM 0 H102 BEP C 92 92.310 4.962 2.335 1.00 0.00 H new HETATM 0 H101 BEP C 92 91.510 6.349 1.623 1.00 0.00 H new HETATM 0 H92 BEP C 92 93.758 5.378 0.457 1.00 0.00 H new HETATM 0 H91 BEP C 92 92.445 5.941 -0.558 1.00 0.00 H new HETATM 0 H82 BEP C 92 93.303 3.114 0.000 1.00 0.00 H new HETATM 0 H81 BEP C 92 92.433 3.736 -1.388 1.00 0.00 H new HETATM 0 H73 BEP C 92 93.594 1.371 -2.723 1.00 0.00 H new HETATM 0 H72 BEP C 92 94.948 0.333 -2.216 1.00 0.00 H new HETATM 0 H71 BEP C 92 94.128 0.032 -3.767 1.00 0.00 H new HETATM 0 H63 BEP C 92 94.521 -2.033 -1.533 1.00 0.00 H new HETATM 0 H62 BEP C 92 92.863 -2.679 -1.553 1.00 0.00 H new HETATM 0 H61 BEP C 92 93.701 -2.332 -3.084 1.00 0.00 H new HETATM 0 H51 BEP C 92 92.050 -0.561 -2.552 1.00 0.00 H new HETATM 0 H42 BEP C 92 93.526 0.657 -0.340 1.00 0.00 H new HETATM 0 H41 BEP C 92 93.006 -0.959 0.097 1.00 0.00 H new HETATM 0 H32 BEP C 92 89.570 4.417 -1.240 1.00 0.00 H new HETATM 0 H31 BEP C 92 89.743 3.209 -2.497 1.00 0.00 H new HETATM 0 H21 BEP C 92 89.610 1.956 0.177 1.00 0.00 H new HETATM 0 H12 BEP C 92 90.491 1.074 -2.128 1.00 0.00 H new HETATM 0 H11 BEP C 92 91.976 1.908 -1.715 1.00 0.00 H new