USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 GLN : amide:sc= -5.5! C(o=-6.2!,f=-0.75!) USER MOD Set 1.2: A 91 SER OG : rot -124:sc= -0.727 USER MOD Single : A 9 ASN : amide:sc= -0.847 K(o=-0.85,f=-0.29) USER MOD Single : A 15 LYS NZ :NH3+ -132:sc= -0.0787 (180deg=-0.762) USER MOD Single : A 23 THR OG1 : rot 35:sc= 1.11 USER MOD Single : A 25 GLN : amide:sc= -0.871 K(o=-0.87,f=-3.4!) USER MOD Single : A 32 THR OG1 : rot -57:sc= 0.21 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 179:sc= 0 (180deg=-0.00201) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00584 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= -1.07 (180deg=-1.07) USER MOD Single : A 51 TYR OH : rot -39:sc= -0.0317 USER MOD Single : A 72 MET CE :methyl 154:sc= -0.125 (180deg=-0.907) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -144:sc= 1.27 USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= 0.196 (180deg=0.0364) USER MOD Single : A 87 GLN : amide:sc= -3.13 K(o=-3.1,f=-4.6!) USER MOD Single : A 95 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 96 TYR OH : rot 90:sc= -2.06 USER MOD Single : A 101 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.1!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 165:sc= 1.22 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A 3 2.099 -1.441 14.691 1.00 0.00 N ATOM 33 CA PHE A 3 2.571 -1.518 13.305 1.00 0.00 C ATOM 34 C PHE A 3 3.422 -0.302 12.963 1.00 0.00 C ATOM 35 O PHE A 3 3.098 0.820 13.368 1.00 0.00 O ATOM 36 CB PHE A 3 1.381 -1.598 12.343 1.00 0.00 C ATOM 37 CG PHE A 3 0.627 -2.886 12.569 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.458 -2.915 13.454 1.00 0.00 C ATOM 39 CD2 PHE A 3 1.009 -4.048 11.891 1.00 0.00 C ATOM 40 CE1 PHE A 3 -1.159 -4.108 13.660 1.00 0.00 C ATOM 41 CE2 PHE A 3 0.309 -5.241 12.098 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.777 -5.271 12.982 1.00 0.00 C ATOM 0 HA PHE A 3 3.179 -2.417 13.200 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.719 -0.746 12.498 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.731 -1.547 11.312 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.753 -2.017 13.977 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.845 -4.024 11.207 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.996 -4.131 14.343 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.606 -6.139 11.576 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.319 -6.191 13.140 1.00 0.00 H new ATOM 52 N ARG A 4 4.517 -0.530 12.222 1.00 0.00 N ATOM 53 CA ARG A 4 5.417 0.558 11.839 1.00 0.00 C ATOM 54 C ARG A 4 5.902 0.415 10.394 1.00 0.00 C ATOM 55 O ARG A 4 6.051 -0.690 9.870 1.00 0.00 O ATOM 56 CB ARG A 4 6.623 0.648 12.798 1.00 0.00 C ATOM 57 CG ARG A 4 7.461 1.899 12.455 1.00 0.00 C ATOM 58 CD ARG A 4 8.564 2.093 13.485 1.00 0.00 C ATOM 59 NE ARG A 4 9.527 0.977 13.433 1.00 0.00 N ATOM 60 CZ ARG A 4 10.545 0.829 14.324 1.00 0.00 C ATOM 61 NH1 ARG A 4 10.731 1.695 15.304 1.00 0.00 N ATOM 62 NH2 ARG A 4 11.353 -0.188 14.209 1.00 0.00 N ATOM 0 H ARG A 4 4.795 -1.450 11.881 1.00 0.00 H new ATOM 0 HA ARG A 4 4.844 1.482 11.911 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.277 0.701 13.830 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.237 -0.249 12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.896 1.793 11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.819 2.780 12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.081 3.035 13.299 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.130 2.159 14.483 1.00 0.00 H new ATOM 0 HE ARG A 4 9.425 0.282 12.693 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.105 2.494 15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.501 1.565 15.961 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.219 -0.863 13.456 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.119 -0.308 14.872 1.00 0.00 H new ATOM 76 N VAL A 5 6.160 1.564 9.788 1.00 0.00 N ATOM 77 CA VAL A 5 6.654 1.656 8.419 1.00 0.00 C ATOM 78 C VAL A 5 8.033 2.325 8.453 1.00 0.00 C ATOM 79 O VAL A 5 8.246 3.254 9.237 1.00 0.00 O ATOM 80 CB VAL A 5 5.674 2.491 7.565 1.00 0.00 C ATOM 81 CG1 VAL A 5 6.174 2.585 6.108 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.273 1.843 7.587 1.00 0.00 C ATOM 0 H VAL A 5 6.031 2.471 10.237 1.00 0.00 H new ATOM 0 HA VAL A 5 6.734 0.663 7.976 1.00 0.00 H new ATOM 0 HB VAL A 5 5.617 3.495 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.472 3.176 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.154 3.061 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.249 1.584 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.588 2.437 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.333 0.833 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.908 1.800 8.613 1.00 0.00 H new ATOM 92 N VAL A 6 8.982 1.812 7.657 1.00 0.00 N ATOM 93 CA VAL A 6 10.354 2.349 7.669 1.00 0.00 C ATOM 94 C VAL A 6 10.803 2.712 6.250 1.00 0.00 C ATOM 95 O VAL A 6 10.661 1.911 5.319 1.00 0.00 O ATOM 96 CB VAL A 6 11.337 1.320 8.307 1.00 0.00 C ATOM 97 CG1 VAL A 6 12.781 1.901 8.384 1.00 0.00 C ATOM 98 CG2 VAL A 6 10.851 0.942 9.727 1.00 0.00 C ATOM 0 H VAL A 6 8.832 1.040 7.007 1.00 0.00 H new ATOM 0 HA VAL A 6 10.363 3.256 8.274 1.00 0.00 H new ATOM 0 HB VAL A 6 11.357 0.430 7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.446 1.164 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.130 2.142 7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.778 2.805 8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.541 0.223 10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.813 1.837 10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.857 0.500 9.666 1.00 0.00 H new ATOM 108 N GLY A 7 11.351 3.925 6.099 1.00 0.00 N ATOM 109 CA GLY A 7 11.832 4.407 4.799 1.00 0.00 C ATOM 110 C GLY A 7 13.380 4.484 4.758 1.00 0.00 C ATOM 111 O GLY A 7 13.933 5.585 4.678 1.00 0.00 O ATOM 0 H GLY A 7 11.472 4.591 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.479 3.743 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.412 5.393 4.597 1.00 0.00 H new ATOM 115 N PRO A 8 14.103 3.336 4.789 1.00 0.00 N ATOM 116 CA PRO A 8 15.605 3.333 4.727 1.00 0.00 C ATOM 117 C PRO A 8 16.131 3.464 3.285 1.00 0.00 C ATOM 118 O PRO A 8 17.341 3.573 3.066 1.00 0.00 O ATOM 119 CB PRO A 8 15.962 1.968 5.295 1.00 0.00 C ATOM 120 CG PRO A 8 14.854 1.080 4.842 1.00 0.00 C ATOM 121 CD PRO A 8 13.583 1.935 4.868 1.00 0.00 C ATOM 0 HA PRO A 8 16.043 4.172 5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.926 1.622 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.031 1.995 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.046 0.699 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.755 0.215 5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.926 1.703 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.008 1.771 5.779 1.00 0.00 H new ATOM 129 N ASN A 9 15.212 3.381 2.312 1.00 0.00 N ATOM 130 CA ASN A 9 15.561 3.410 0.903 1.00 0.00 C ATOM 131 C ASN A 9 16.235 4.724 0.524 1.00 0.00 C ATOM 132 O ASN A 9 15.770 5.807 0.890 1.00 0.00 O ATOM 133 CB ASN A 9 14.296 3.216 0.068 1.00 0.00 C ATOM 134 CG ASN A 9 13.618 1.900 0.449 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.227 0.834 0.351 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.389 1.917 0.897 1.00 0.00 N ATOM 0 H ASN A 9 14.211 3.292 2.489 1.00 0.00 H new ATOM 0 HA ASN A 9 16.267 2.604 0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.611 4.048 0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.547 3.212 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.932 1.046 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.888 2.802 0.977 1.00 0.00 H new ATOM 143 N LEU A 10 17.313 4.606 -0.244 1.00 0.00 N ATOM 144 CA LEU A 10 18.062 5.758 -0.734 1.00 0.00 C ATOM 145 C LEU A 10 17.285 6.452 -1.867 1.00 0.00 C ATOM 146 O LEU A 10 16.414 5.820 -2.476 1.00 0.00 O ATOM 147 CB LEU A 10 19.475 5.308 -1.200 1.00 0.00 C ATOM 148 CG LEU A 10 19.387 4.286 -2.370 1.00 0.00 C ATOM 149 CD1 LEU A 10 19.177 5.014 -3.722 1.00 0.00 C ATOM 150 CD2 LEU A 10 20.687 3.459 -2.425 1.00 0.00 C ATOM 0 H LEU A 10 17.692 3.708 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 10 18.188 6.481 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.050 6.178 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 10 20.011 4.860 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 10 18.535 3.628 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 10 19.118 4.280 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 10 18.251 5.588 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 10 20.014 5.688 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 10 20.628 2.742 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.535 4.125 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.818 2.925 -1.484 1.00 0.00 H new ATOM 162 N PRO A 11 17.555 7.744 -2.173 1.00 0.00 N ATOM 163 CA PRO A 11 16.821 8.459 -3.261 1.00 0.00 C ATOM 164 C PRO A 11 16.840 7.655 -4.561 1.00 0.00 C ATOM 165 O PRO A 11 17.898 7.198 -5.004 1.00 0.00 O ATOM 166 CB PRO A 11 17.586 9.793 -3.419 1.00 0.00 C ATOM 167 CG PRO A 11 18.863 9.620 -2.654 1.00 0.00 C ATOM 168 CD PRO A 11 18.553 8.637 -1.539 1.00 0.00 C ATOM 0 HA PRO A 11 15.768 8.608 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.784 10.009 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.004 10.627 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.656 9.241 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.208 10.572 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.441 8.092 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.150 9.136 -0.657 1.00 0.00 H new ATOM 176 N ILE A 12 15.652 7.467 -5.151 1.00 0.00 N ATOM 177 CA ILE A 12 15.519 6.687 -6.396 1.00 0.00 C ATOM 178 C ILE A 12 15.435 7.631 -7.598 1.00 0.00 C ATOM 179 O ILE A 12 14.680 8.608 -7.581 1.00 0.00 O ATOM 180 CB ILE A 12 14.277 5.753 -6.329 1.00 0.00 C ATOM 181 CG1 ILE A 12 14.437 4.795 -5.122 1.00 0.00 C ATOM 182 CG2 ILE A 12 14.177 4.917 -7.628 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.117 4.065 -4.836 1.00 0.00 C ATOM 0 H ILE A 12 14.773 7.840 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 12 16.401 6.057 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 12 13.375 6.354 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.224 4.069 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.746 5.358 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.305 4.265 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.079 5.585 -8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.076 4.312 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.248 3.396 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.340 4.794 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.825 3.485 -5.711 1.00 0.00 H new ATOM 195 N LEU A 13 16.283 7.371 -8.603 1.00 0.00 N ATOM 196 CA LEU A 13 16.377 8.242 -9.775 1.00 0.00 C ATOM 197 C LEU A 13 15.556 7.732 -10.961 1.00 0.00 C ATOM 198 O LEU A 13 15.779 6.629 -11.465 1.00 0.00 O ATOM 199 CB LEU A 13 17.856 8.404 -10.198 1.00 0.00 C ATOM 200 CG LEU A 13 18.529 9.548 -9.413 1.00 0.00 C ATOM 201 CD1 LEU A 13 18.769 9.113 -7.961 1.00 0.00 C ATOM 202 CD2 LEU A 13 19.872 9.889 -10.066 1.00 0.00 C ATOM 0 H LEU A 13 16.910 6.567 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 13 15.961 9.207 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.393 7.472 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.913 8.608 -11.267 1.00 0.00 H new ATOM 0 HG LEU A 13 17.879 10.423 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.245 9.925 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.816 8.867 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.417 8.237 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.350 10.698 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.516 9.010 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.706 10.203 -11.097 1.00 0.00 H new ATOM 214 N ALA A 14 14.666 8.602 -11.448 1.00 0.00 N ATOM 215 CA ALA A 14 13.862 8.332 -12.635 1.00 0.00 C ATOM 216 C ALA A 14 13.757 9.608 -13.475 1.00 0.00 C ATOM 217 O ALA A 14 13.529 10.695 -12.932 1.00 0.00 O ATOM 218 CB ALA A 14 12.464 7.857 -12.234 1.00 0.00 C ATOM 0 H ALA A 14 14.485 9.513 -11.027 1.00 0.00 H new ATOM 0 HA ALA A 14 14.340 7.547 -13.220 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.876 7.660 -13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.545 6.944 -11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.974 8.629 -11.641 1.00 0.00 H new ATOM 224 N LYS A 15 13.957 9.475 -14.793 1.00 0.00 N ATOM 225 CA LYS A 15 13.915 10.632 -15.700 1.00 0.00 C ATOM 226 C LYS A 15 12.482 11.009 -16.063 1.00 0.00 C ATOM 227 O LYS A 15 11.615 10.139 -16.183 1.00 0.00 O ATOM 228 CB LYS A 15 14.712 10.339 -16.976 1.00 0.00 C ATOM 229 CG LYS A 15 16.199 10.157 -16.625 1.00 0.00 C ATOM 230 CD LYS A 15 17.039 9.976 -17.908 1.00 0.00 C ATOM 231 CE LYS A 15 16.749 8.609 -18.549 1.00 0.00 C ATOM 232 NZ LYS A 15 17.143 7.524 -17.607 1.00 0.00 N ATOM 0 H LYS A 15 14.148 8.585 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 15 14.366 11.475 -15.176 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.329 9.439 -17.458 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.593 11.157 -17.687 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.556 11.024 -16.069 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.322 9.289 -15.977 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.810 10.773 -18.616 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.100 10.056 -17.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.690 8.527 -18.792 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.299 8.510 -19.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.711 6.815 -18.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.704 7.926 -16.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.289 7.072 -17.221 1.00 0.00 H new ATOM 246 N VAL A 16 12.248 12.318 -16.263 1.00 0.00 N ATOM 247 CA VAL A 16 10.924 12.812 -16.645 1.00 0.00 C ATOM 248 C VAL A 16 10.473 12.150 -17.954 1.00 0.00 C ATOM 249 O VAL A 16 11.258 12.019 -18.898 1.00 0.00 O ATOM 250 CB VAL A 16 10.936 14.359 -16.766 1.00 0.00 C ATOM 251 CG1 VAL A 16 11.937 14.800 -17.844 1.00 0.00 C ATOM 252 CG2 VAL A 16 9.531 14.879 -17.126 1.00 0.00 C ATOM 0 H VAL A 16 12.957 13.045 -16.166 1.00 0.00 H new ATOM 0 HA VAL A 16 10.207 12.547 -15.868 1.00 0.00 H new ATOM 0 HB VAL A 16 11.236 14.776 -15.805 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.936 15.887 -17.919 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.936 14.456 -17.576 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.651 14.370 -18.804 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.555 15.966 -17.207 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.217 14.451 -18.078 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.825 14.589 -16.348 1.00 0.00 H new ATOM 262 N GLY A 17 9.227 11.686 -17.964 1.00 0.00 N ATOM 263 CA GLY A 17 8.667 10.968 -19.117 1.00 0.00 C ATOM 264 C GLY A 17 8.808 9.445 -18.932 1.00 0.00 C ATOM 265 O GLY A 17 8.036 8.668 -19.501 1.00 0.00 O ATOM 0 H GLY A 17 8.578 11.793 -17.184 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.616 11.229 -19.238 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.179 11.278 -20.028 1.00 0.00 H new ATOM 269 N GLU A 18 9.763 9.039 -18.075 1.00 0.00 N ATOM 270 CA GLU A 18 9.970 7.640 -17.740 1.00 0.00 C ATOM 271 C GLU A 18 9.314 7.327 -16.407 1.00 0.00 C ATOM 272 O GLU A 18 8.987 8.239 -15.650 1.00 0.00 O ATOM 273 CB GLU A 18 11.461 7.317 -17.674 1.00 0.00 C ATOM 274 CG GLU A 18 12.080 7.457 -19.076 1.00 0.00 C ATOM 275 CD GLU A 18 13.597 7.157 -19.061 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.162 6.998 -17.981 1.00 0.00 O ATOM 277 OE2 GLU A 18 14.170 7.094 -20.136 1.00 0.00 O ATOM 0 H GLU A 18 10.404 9.677 -17.604 1.00 0.00 H new ATOM 0 HA GLU A 18 9.517 7.026 -18.518 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.959 7.990 -16.976 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.608 6.304 -17.300 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.581 6.775 -19.765 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.912 8.467 -19.449 1.00 0.00 H new ATOM 284 N ASP A 19 9.108 6.041 -16.136 1.00 0.00 N ATOM 285 CA ASP A 19 8.469 5.603 -14.895 1.00 0.00 C ATOM 286 C ASP A 19 9.442 5.676 -13.698 1.00 0.00 C ATOM 287 O ASP A 19 10.661 5.682 -13.874 1.00 0.00 O ATOM 288 CB ASP A 19 7.936 4.169 -15.076 1.00 0.00 C ATOM 289 CG ASP A 19 9.076 3.172 -15.390 1.00 0.00 C ATOM 290 OD1 ASP A 19 10.240 3.561 -15.338 1.00 0.00 O ATOM 291 OD2 ASP A 19 8.759 2.029 -15.679 1.00 0.00 O ATOM 0 H ASP A 19 9.375 5.280 -16.761 1.00 0.00 H new ATOM 0 HA ASP A 19 7.640 6.275 -14.676 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.418 3.856 -14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.204 4.152 -15.884 1.00 0.00 H new ATOM 296 N ALA A 20 8.873 5.746 -12.482 1.00 0.00 N ATOM 297 CA ALA A 20 9.653 5.836 -11.237 1.00 0.00 C ATOM 298 C ALA A 20 9.225 4.749 -10.264 1.00 0.00 C ATOM 299 O ALA A 20 8.171 4.129 -10.444 1.00 0.00 O ATOM 300 CB ALA A 20 9.467 7.205 -10.578 1.00 0.00 C ATOM 0 H ALA A 20 7.864 5.742 -12.336 1.00 0.00 H new ATOM 0 HA ALA A 20 10.705 5.703 -11.490 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.052 7.249 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.803 7.986 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.413 7.356 -10.344 1.00 0.00 H new ATOM 306 N LEU A 21 10.067 4.490 -9.251 1.00 0.00 N ATOM 307 CA LEU A 21 9.783 3.434 -8.275 1.00 0.00 C ATOM 308 C LEU A 21 9.767 3.975 -6.840 1.00 0.00 C ATOM 309 O LEU A 21 10.773 4.482 -6.346 1.00 0.00 O ATOM 310 CB LEU A 21 10.847 2.316 -8.398 1.00 0.00 C ATOM 311 CG LEU A 21 10.506 1.118 -7.481 1.00 0.00 C ATOM 312 CD1 LEU A 21 9.237 0.410 -7.982 1.00 0.00 C ATOM 313 CD2 LEU A 21 11.674 0.127 -7.484 1.00 0.00 C ATOM 0 H LEU A 21 10.940 4.993 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 21 8.792 3.034 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.907 1.980 -9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.827 2.712 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 21 10.333 1.484 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.008 -0.431 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.403 1.112 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.399 0.047 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.436 -0.718 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.846 -0.229 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.573 0.623 -7.116 1.00 0.00 H new ATOM 325 N LEU A 22 8.633 3.784 -6.159 1.00 0.00 N ATOM 326 CA LEU A 22 8.490 4.162 -4.734 1.00 0.00 C ATOM 327 C LEU A 22 8.225 2.903 -3.907 1.00 0.00 C ATOM 328 O LEU A 22 7.239 2.205 -4.139 1.00 0.00 O ATOM 329 CB LEU A 22 7.346 5.224 -4.472 1.00 0.00 C ATOM 330 CG LEU A 22 6.435 5.460 -5.712 1.00 0.00 C ATOM 331 CD1 LEU A 22 5.124 6.126 -5.269 1.00 0.00 C ATOM 332 CD2 LEU A 22 7.157 6.374 -6.718 1.00 0.00 C ATOM 0 H LEU A 22 7.794 3.369 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 22 9.424 4.638 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.732 4.889 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.798 6.170 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 22 6.216 4.502 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.488 6.290 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.609 5.479 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.344 7.082 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.517 6.538 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.380 7.331 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.086 5.902 -7.037 1.00 0.00 H new ATOM 344 N THR A 23 9.134 2.595 -2.966 1.00 0.00 N ATOM 345 CA THR A 23 9.009 1.376 -2.151 1.00 0.00 C ATOM 346 C THR A 23 9.295 1.641 -0.673 1.00 0.00 C ATOM 347 O THR A 23 10.119 2.490 -0.330 1.00 0.00 O ATOM 348 CB THR A 23 9.961 0.278 -2.688 1.00 0.00 C ATOM 349 OG1 THR A 23 9.833 -0.895 -1.899 1.00 0.00 O ATOM 350 CG2 THR A 23 11.420 0.765 -2.650 1.00 0.00 C ATOM 0 H THR A 23 9.953 3.165 -2.753 1.00 0.00 H new ATOM 0 HA THR A 23 7.977 1.035 -2.228 1.00 0.00 H new ATOM 0 HB THR A 23 9.690 0.057 -3.720 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.902 -0.994 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.075 -0.019 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.522 1.656 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.698 1.003 -1.623 1.00 0.00 H new ATOM 358 N CYS A 24 8.590 0.902 0.191 1.00 0.00 N ATOM 359 CA CYS A 24 8.741 1.030 1.645 1.00 0.00 C ATOM 360 C CYS A 24 8.735 -0.352 2.300 1.00 0.00 C ATOM 361 O CYS A 24 8.339 -1.340 1.671 1.00 0.00 O ATOM 362 CB CYS A 24 7.603 1.890 2.231 1.00 0.00 C ATOM 363 SG CYS A 24 6.002 1.109 1.879 1.00 0.00 S ATOM 0 H CYS A 24 7.904 0.204 -0.095 1.00 0.00 H new ATOM 0 HA CYS A 24 9.693 1.518 1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.735 2.001 3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.632 2.891 1.801 1.00 0.00 H new ATOM 368 N GLN A 25 9.205 -0.421 3.555 1.00 0.00 N ATOM 369 CA GLN A 25 9.284 -1.694 4.281 1.00 0.00 C ATOM 370 C GLN A 25 8.338 -1.711 5.478 1.00 0.00 C ATOM 371 O GLN A 25 8.473 -0.902 6.401 1.00 0.00 O ATOM 372 CB GLN A 25 10.716 -1.936 4.763 1.00 0.00 C ATOM 373 CG GLN A 25 11.626 -2.213 3.560 1.00 0.00 C ATOM 374 CD GLN A 25 13.095 -2.263 3.997 1.00 0.00 C ATOM 375 OE1 GLN A 25 13.490 -1.586 4.949 1.00 0.00 O ATOM 376 NE2 GLN A 25 13.930 -3.032 3.353 1.00 0.00 N ATOM 0 H GLN A 25 9.534 0.386 4.084 1.00 0.00 H new ATOM 0 HA GLN A 25 8.987 -2.487 3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.077 -1.066 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.740 -2.780 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.346 -3.159 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.491 -1.436 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.604 -3.592 2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.909 -3.073 3.637 1.00 0.00 H new ATOM 385 N LEU A 26 7.401 -2.661 5.462 1.00 0.00 N ATOM 386 CA LEU A 26 6.440 -2.829 6.554 1.00 0.00 C ATOM 387 C LEU A 26 6.346 -4.299 6.955 1.00 0.00 C ATOM 388 O LEU A 26 6.584 -5.185 6.131 1.00 0.00 O ATOM 389 CB LEU A 26 5.055 -2.287 6.130 1.00 0.00 C ATOM 390 CG LEU A 26 4.534 -3.030 4.851 1.00 0.00 C ATOM 391 CD1 LEU A 26 3.617 -4.203 5.246 1.00 0.00 C ATOM 392 CD2 LEU A 26 3.742 -2.050 3.961 1.00 0.00 C ATOM 0 H LEU A 26 7.287 -3.329 4.700 1.00 0.00 H new ATOM 0 HA LEU A 26 6.783 -2.261 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.344 -2.416 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.123 -1.217 5.932 1.00 0.00 H new ATOM 0 HG LEU A 26 5.394 -3.415 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.264 -4.708 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.174 -4.908 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.763 -3.824 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.383 -2.573 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.892 -1.657 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.390 -1.227 3.660 1.00 0.00 H new ATOM 404 N LEU A 27 6.004 -4.557 8.225 1.00 0.00 N ATOM 405 CA LEU A 27 5.896 -5.948 8.724 1.00 0.00 C ATOM 406 C LEU A 27 4.412 -6.351 8.993 1.00 0.00 C ATOM 407 O LEU A 27 3.865 -6.017 10.044 1.00 0.00 O ATOM 408 CB LEU A 27 6.766 -6.179 10.022 1.00 0.00 C ATOM 409 CG LEU A 27 6.977 -4.876 10.858 1.00 0.00 C ATOM 410 CD1 LEU A 27 5.647 -4.376 11.424 1.00 0.00 C ATOM 411 CD2 LEU A 27 7.945 -5.159 12.011 1.00 0.00 C ATOM 0 H LEU A 27 5.799 -3.839 8.920 1.00 0.00 H new ATOM 0 HA LEU A 27 6.288 -6.589 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.283 -6.930 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.738 -6.580 9.734 1.00 0.00 H new ATOM 0 HG LEU A 27 7.391 -4.108 10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.816 -3.468 12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.961 -4.162 10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.215 -5.142 12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.092 -4.250 12.594 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.530 -5.938 12.651 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.902 -5.491 11.609 1.00 0.00 H new ATOM 497 N THR A 32 -2.058 -9.925 3.324 1.00 0.00 N ATOM 498 CA THR A 32 -2.564 -8.547 3.226 1.00 0.00 C ATOM 499 C THR A 32 -4.035 -8.549 2.774 1.00 0.00 C ATOM 500 O THR A 32 -4.454 -7.745 1.922 1.00 0.00 O ATOM 501 CB THR A 32 -1.683 -7.715 2.267 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.206 -6.398 2.168 1.00 0.00 O ATOM 503 CG2 THR A 32 -1.651 -8.358 0.874 1.00 0.00 C ATOM 0 HA THR A 32 -2.515 -8.083 4.211 1.00 0.00 H new ATOM 0 HB THR A 32 -0.668 -7.682 2.662 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.135 -6.437 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.026 -7.759 0.211 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.241 -9.365 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.663 -8.407 0.472 1.00 0.00 H new ATOM 511 N ALA A 33 -4.804 -9.480 3.349 1.00 0.00 N ATOM 512 CA ALA A 33 -6.222 -9.647 3.032 1.00 0.00 C ATOM 513 C ALA A 33 -7.041 -8.410 3.395 1.00 0.00 C ATOM 514 O ALA A 33 -7.993 -8.068 2.692 1.00 0.00 O ATOM 515 CB ALA A 33 -6.780 -10.872 3.757 1.00 0.00 C ATOM 0 H ALA A 33 -4.458 -10.138 4.047 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.301 -9.790 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.836 -10.988 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.235 -11.762 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.667 -10.741 4.833 1.00 0.00 H new ATOM 521 N HIS A 34 -6.714 -7.784 4.535 1.00 0.00 N ATOM 522 CA HIS A 34 -7.450 -6.588 5.004 1.00 0.00 C ATOM 523 C HIS A 34 -6.531 -5.349 5.165 1.00 0.00 C ATOM 524 O HIS A 34 -6.990 -4.293 5.610 1.00 0.00 O ATOM 525 CB HIS A 34 -8.161 -6.877 6.335 1.00 0.00 C ATOM 526 CG HIS A 34 -9.159 -7.993 6.156 1.00 0.00 C ATOM 527 ND1 HIS A 34 -10.342 -7.822 5.453 1.00 0.00 N ATOM 528 CD2 HIS A 34 -9.165 -9.298 6.585 1.00 0.00 C ATOM 529 CE1 HIS A 34 -11.003 -8.994 5.480 1.00 0.00 C ATOM 530 NE2 HIS A 34 -10.329 -9.927 6.157 1.00 0.00 N ATOM 0 H HIS A 34 -5.953 -8.078 5.148 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.187 -6.356 4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.430 -7.151 7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.667 -5.979 6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.384 -9.765 7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.962 -9.160 5.011 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.608 -10.894 6.324 1.00 0.00 H new ATOM 538 N MET A 35 -5.234 -5.500 4.844 1.00 0.00 N ATOM 539 CA MET A 35 -4.257 -4.407 5.006 1.00 0.00 C ATOM 540 C MET A 35 -4.311 -3.441 3.824 1.00 0.00 C ATOM 541 O MET A 35 -4.603 -3.849 2.698 1.00 0.00 O ATOM 542 CB MET A 35 -2.841 -4.981 5.139 1.00 0.00 C ATOM 543 CG MET A 35 -2.749 -5.849 6.398 1.00 0.00 C ATOM 544 SD MET A 35 -1.113 -6.620 6.479 1.00 0.00 S ATOM 545 CE MET A 35 -1.412 -7.634 7.947 1.00 0.00 C ATOM 0 H MET A 35 -4.839 -6.364 4.473 1.00 0.00 H new ATOM 0 HA MET A 35 -4.513 -3.858 5.912 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.595 -5.574 4.258 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.114 -4.171 5.191 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.921 -5.240 7.286 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.524 -6.615 6.382 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.521 -8.219 8.173 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.646 -6.989 8.794 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.250 -8.306 7.761 1.00 0.00 H new ATOM 555 N GLU A 36 -4.031 -2.148 4.092 1.00 0.00 N ATOM 556 CA GLU A 36 -4.055 -1.121 3.036 1.00 0.00 C ATOM 557 C GLU A 36 -2.754 -0.315 3.022 1.00 0.00 C ATOM 558 O GLU A 36 -2.203 0.006 4.078 1.00 0.00 O ATOM 559 CB GLU A 36 -5.250 -0.165 3.236 1.00 0.00 C ATOM 560 CG GLU A 36 -6.588 -0.950 3.232 1.00 0.00 C ATOM 561 CD GLU A 36 -6.990 -1.384 4.658 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.129 -1.422 5.531 1.00 0.00 O ATOM 563 OE2 GLU A 36 -8.161 -1.669 4.853 1.00 0.00 O ATOM 0 H GLU A 36 -3.789 -1.796 5.018 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.160 -1.634 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.140 0.370 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.260 0.584 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.375 -0.329 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.494 -1.830 2.595 1.00 0.00 H new ATOM 570 N VAL A 37 -2.278 0.019 1.812 1.00 0.00 N ATOM 571 CA VAL A 37 -1.046 0.800 1.647 1.00 0.00 C ATOM 572 C VAL A 37 -1.329 2.050 0.801 1.00 0.00 C ATOM 573 O VAL A 37 -1.959 1.962 -0.258 1.00 0.00 O ATOM 574 CB VAL A 37 0.063 -0.068 0.992 1.00 0.00 C ATOM 575 CG1 VAL A 37 1.360 0.746 0.832 1.00 0.00 C ATOM 576 CG2 VAL A 37 0.350 -1.293 1.874 1.00 0.00 C ATOM 0 H VAL A 37 -2.729 -0.241 0.935 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.693 1.116 2.629 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.284 -0.388 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.126 0.123 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.170 1.613 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.704 1.079 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.128 -1.900 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.684 -0.963 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.558 -1.886 1.979 1.00 0.00 H new ATOM 586 N ARG A 38 -0.892 3.212 1.302 1.00 0.00 N ATOM 587 CA ARG A 38 -1.137 4.491 0.612 1.00 0.00 C ATOM 588 C ARG A 38 0.176 5.132 0.163 1.00 0.00 C ATOM 589 O ARG A 38 1.153 5.167 0.925 1.00 0.00 O ATOM 590 CB ARG A 38 -1.851 5.472 1.556 1.00 0.00 C ATOM 591 CG ARG A 38 -3.177 4.873 2.068 1.00 0.00 C ATOM 592 CD ARG A 38 -4.276 5.051 1.025 1.00 0.00 C ATOM 593 NE ARG A 38 -5.555 4.526 1.541 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.764 4.933 1.078 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.863 5.852 0.137 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.849 4.406 1.575 1.00 0.00 N ATOM 0 H ARG A 38 -0.371 3.296 2.175 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.757 4.281 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.203 5.708 2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.047 6.408 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.044 3.814 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.468 5.359 2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.382 6.106 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.004 4.530 0.107 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.529 3.824 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.021 6.271 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.782 6.143 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.783 3.696 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.763 4.704 1.235 1.00 0.00 H new ATOM 610 N TRP A 39 0.165 5.700 -1.051 1.00 0.00 N ATOM 611 CA TRP A 39 1.327 6.420 -1.585 1.00 0.00 C ATOM 612 C TRP A 39 0.947 7.880 -1.859 1.00 0.00 C ATOM 613 O TRP A 39 -0.111 8.154 -2.445 1.00 0.00 O ATOM 614 CB TRP A 39 1.814 5.768 -2.890 1.00 0.00 C ATOM 615 CG TRP A 39 2.367 4.398 -2.619 1.00 0.00 C ATOM 616 CD1 TRP A 39 3.674 4.111 -2.376 1.00 0.00 C ATOM 617 CD2 TRP A 39 1.660 3.126 -2.574 1.00 0.00 C ATOM 618 NE1 TRP A 39 3.804 2.750 -2.184 1.00 0.00 N ATOM 619 CE2 TRP A 39 2.593 2.099 -2.295 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.310 2.766 -2.744 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.206 0.767 -2.189 1.00 0.00 C ATOM 622 CZ3 TRP A 39 -0.084 1.420 -2.637 1.00 0.00 C ATOM 623 CH2 TRP A 39 0.865 0.424 -2.360 1.00 0.00 C ATOM 0 H TRP A 39 -0.637 5.674 -1.681 1.00 0.00 H new ATOM 0 HA TRP A 39 2.130 6.378 -0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.989 5.700 -3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.580 6.391 -3.351 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.479 4.830 -2.339 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.688 2.283 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.427 3.527 -2.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.939 0.003 -1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.122 1.152 -2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.557 -0.608 -2.279 1.00 0.00 H new ATOM 634 N TYR A 40 1.811 8.813 -1.431 1.00 0.00 N ATOM 635 CA TYR A 40 1.558 10.251 -1.631 1.00 0.00 C ATOM 636 C TYR A 40 2.752 10.916 -2.305 1.00 0.00 C ATOM 637 O TYR A 40 3.860 10.859 -1.787 1.00 0.00 O ATOM 638 CB TYR A 40 1.310 10.934 -0.275 1.00 0.00 C ATOM 639 CG TYR A 40 0.092 10.345 0.400 1.00 0.00 C ATOM 640 CD1 TYR A 40 0.231 9.235 1.244 1.00 0.00 C ATOM 641 CD2 TYR A 40 -1.169 10.910 0.191 1.00 0.00 C ATOM 642 CE1 TYR A 40 -0.894 8.693 1.876 1.00 0.00 C ATOM 643 CE2 TYR A 40 -2.292 10.369 0.823 1.00 0.00 C ATOM 644 CZ TYR A 40 -2.156 9.259 1.665 1.00 0.00 C ATOM 645 OH TYR A 40 -3.265 8.725 2.288 1.00 0.00 O ATOM 0 H TYR A 40 2.684 8.602 -0.948 1.00 0.00 H new ATOM 0 HA TYR A 40 0.679 10.357 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.183 10.811 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.170 12.005 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.205 8.798 1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.276 11.765 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.788 7.838 2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.266 10.808 0.662 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.061 9.237 2.035 1.00 0.00 H new ATOM 655 N ARG A 41 2.511 11.604 -3.428 1.00 0.00 N ATOM 656 CA ARG A 41 3.589 12.316 -4.131 1.00 0.00 C ATOM 657 C ARG A 41 3.681 13.772 -3.674 1.00 0.00 C ATOM 658 O ARG A 41 3.041 14.662 -4.235 1.00 0.00 O ATOM 659 CB ARG A 41 3.431 12.191 -5.664 1.00 0.00 C ATOM 660 CG ARG A 41 2.066 12.720 -6.137 1.00 0.00 C ATOM 661 CD ARG A 41 1.920 12.432 -7.633 1.00 0.00 C ATOM 662 NE ARG A 41 0.620 12.922 -8.134 1.00 0.00 N ATOM 663 CZ ARG A 41 0.204 12.742 -9.417 1.00 0.00 C ATOM 664 NH1 ARG A 41 0.957 12.110 -10.299 1.00 0.00 N ATOM 665 NH2 ARG A 41 -0.964 13.200 -9.782 1.00 0.00 N ATOM 0 H ARG A 41 1.593 11.683 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 41 4.535 11.843 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.228 12.745 -6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.539 11.147 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.261 12.241 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.990 13.791 -5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.731 12.911 -8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.004 11.360 -7.812 1.00 0.00 H new ATOM 0 HE ARG A 41 0.006 13.418 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.869 11.746 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.626 11.986 -11.256 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.554 13.687 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.286 13.071 -10.741 1.00 0.00 H new ATOM 679 N SER A 42 4.458 13.992 -2.601 1.00 0.00 N ATOM 680 CA SER A 42 4.606 15.329 -2.010 1.00 0.00 C ATOM 681 C SER A 42 3.232 15.949 -1.668 1.00 0.00 C ATOM 682 O SER A 42 3.130 17.160 -1.456 1.00 0.00 O ATOM 683 CB SER A 42 5.362 16.247 -2.970 1.00 0.00 C ATOM 684 OG SER A 42 6.653 15.706 -3.221 1.00 0.00 O ATOM 0 H SER A 42 4.991 13.263 -2.127 1.00 0.00 H new ATOM 0 HA SER A 42 5.172 15.224 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.810 16.349 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.451 17.246 -2.542 1.00 0.00 H new ATOM 0 HG SER A 42 7.139 16.292 -3.838 1.00 0.00 H new ATOM 690 N ASP A 43 2.187 15.103 -1.606 1.00 0.00 N ATOM 691 CA ASP A 43 0.836 15.551 -1.279 1.00 0.00 C ATOM 692 C ASP A 43 0.195 14.612 -0.212 1.00 0.00 C ATOM 693 O ASP A 43 -0.706 13.828 -0.535 1.00 0.00 O ATOM 694 CB ASP A 43 -0.034 15.604 -2.559 1.00 0.00 C ATOM 695 CG ASP A 43 0.550 16.587 -3.597 1.00 0.00 C ATOM 696 OD1 ASP A 43 1.347 17.441 -3.219 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.188 16.467 -4.755 1.00 0.00 O ATOM 0 H ASP A 43 2.262 14.101 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 43 0.891 16.555 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.101 14.608 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.048 15.907 -2.299 1.00 0.00 H new ATOM 702 N PRO A 44 0.663 14.652 1.056 1.00 0.00 N ATOM 703 CA PRO A 44 0.122 13.756 2.138 1.00 0.00 C ATOM 704 C PRO A 44 -1.399 13.850 2.259 1.00 0.00 C ATOM 705 O PRO A 44 -2.068 12.858 2.568 1.00 0.00 O ATOM 706 CB PRO A 44 0.794 14.287 3.408 1.00 0.00 C ATOM 707 CG PRO A 44 2.069 14.893 2.932 1.00 0.00 C ATOM 708 CD PRO A 44 1.739 15.538 1.593 1.00 0.00 C ATOM 0 HA PRO A 44 0.328 12.704 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.167 15.024 3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.979 13.486 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.441 15.632 3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.846 14.136 2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.395 16.565 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.606 15.567 0.933 1.00 0.00 H new ATOM 716 N ASP A 45 -1.929 15.057 2.049 1.00 0.00 N ATOM 717 CA ASP A 45 -3.368 15.307 2.174 1.00 0.00 C ATOM 718 C ASP A 45 -4.191 14.555 1.117 1.00 0.00 C ATOM 719 O ASP A 45 -5.374 14.277 1.340 1.00 0.00 O ATOM 720 CB ASP A 45 -3.659 16.820 2.086 1.00 0.00 C ATOM 721 CG ASP A 45 -3.182 17.423 0.741 1.00 0.00 C ATOM 722 OD1 ASP A 45 -2.582 16.708 -0.052 1.00 0.00 O ATOM 723 OD2 ASP A 45 -3.432 18.599 0.532 1.00 0.00 O ATOM 0 H ASP A 45 -1.382 15.879 1.791 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.671 14.930 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.729 16.991 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.164 17.333 2.910 1.00 0.00 H new ATOM 728 N MET A 46 -3.578 14.259 -0.046 1.00 0.00 N ATOM 729 CA MET A 46 -4.295 13.576 -1.140 1.00 0.00 C ATOM 730 C MET A 46 -3.514 12.337 -1.681 1.00 0.00 C ATOM 731 O MET A 46 -2.464 12.508 -2.310 1.00 0.00 O ATOM 732 CB MET A 46 -4.578 14.578 -2.287 1.00 0.00 C ATOM 733 CG MET A 46 -5.298 13.870 -3.454 1.00 0.00 C ATOM 734 SD MET A 46 -5.939 15.101 -4.615 1.00 0.00 S ATOM 735 CE MET A 46 -6.661 13.940 -5.799 1.00 0.00 C ATOM 0 H MET A 46 -2.603 14.478 -0.250 1.00 0.00 H new ATOM 0 HA MET A 46 -5.237 13.205 -0.735 1.00 0.00 H new ATOM 0 HB2 MET A 46 -5.192 15.400 -1.918 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.642 15.012 -2.638 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.608 13.199 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.114 13.257 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.122 14.494 -6.617 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.880 13.291 -6.195 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.417 13.334 -5.300 1.00 0.00 H new ATOM 745 N PRO A 47 -4.048 11.092 -1.525 1.00 0.00 N ATOM 746 CA PRO A 47 -3.400 9.879 -2.106 1.00 0.00 C ATOM 747 C PRO A 47 -3.626 9.789 -3.615 1.00 0.00 C ATOM 748 O PRO A 47 -4.639 10.278 -4.125 1.00 0.00 O ATOM 749 CB PRO A 47 -4.083 8.720 -1.379 1.00 0.00 C ATOM 750 CG PRO A 47 -5.450 9.224 -1.072 1.00 0.00 C ATOM 751 CD PRO A 47 -5.298 10.720 -0.790 1.00 0.00 C ATOM 0 HA PRO A 47 -2.318 9.884 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.120 7.827 -2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.546 8.451 -0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.126 9.052 -1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.872 8.706 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.158 11.285 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.210 10.920 0.278 1.00 0.00 H new ATOM 759 N VAL A 48 -2.684 9.148 -4.318 1.00 0.00 N ATOM 760 CA VAL A 48 -2.796 8.977 -5.781 1.00 0.00 C ATOM 761 C VAL A 48 -3.234 7.550 -6.148 1.00 0.00 C ATOM 762 O VAL A 48 -3.901 7.340 -7.165 1.00 0.00 O ATOM 763 CB VAL A 48 -1.460 9.318 -6.476 1.00 0.00 C ATOM 764 CG1 VAL A 48 -1.116 10.788 -6.234 1.00 0.00 C ATOM 765 CG2 VAL A 48 -0.331 8.434 -5.921 1.00 0.00 C ATOM 0 H VAL A 48 -1.843 8.742 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.562 9.668 -6.133 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.564 9.135 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.173 11.027 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.907 11.418 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.023 10.968 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.606 8.684 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.229 8.605 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.568 7.385 -6.100 1.00 0.00 H new ATOM 775 N ILE A 49 -2.862 6.583 -5.301 1.00 0.00 N ATOM 776 CA ILE A 49 -3.219 5.179 -5.511 1.00 0.00 C ATOM 777 C ILE A 49 -3.073 4.403 -4.190 1.00 0.00 C ATOM 778 O ILE A 49 -2.311 4.819 -3.309 1.00 0.00 O ATOM 779 CB ILE A 49 -2.342 4.568 -6.654 1.00 0.00 C ATOM 780 CG1 ILE A 49 -2.926 3.221 -7.134 1.00 0.00 C ATOM 781 CG2 ILE A 49 -0.886 4.365 -6.194 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.185 3.469 -7.972 1.00 0.00 C ATOM 0 H ILE A 49 -2.311 6.751 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.260 5.104 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.350 5.276 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.185 2.683 -7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.167 2.593 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.303 3.939 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.459 5.325 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.865 3.687 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.592 2.515 -8.308 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.928 3.988 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.931 4.080 -8.838 1.00 0.00 H new ATOM 794 N MET A 50 -3.809 3.294 -4.056 1.00 0.00 N ATOM 795 CA MET A 50 -3.753 2.490 -2.834 1.00 0.00 C ATOM 796 C MET A 50 -3.761 0.993 -3.148 1.00 0.00 C ATOM 797 O MET A 50 -4.323 0.560 -4.159 1.00 0.00 O ATOM 798 CB MET A 50 -4.932 2.855 -1.903 1.00 0.00 C ATOM 799 CG MET A 50 -6.271 2.521 -2.587 1.00 0.00 C ATOM 800 SD MET A 50 -7.625 3.373 -1.743 1.00 0.00 S ATOM 801 CE MET A 50 -7.460 4.954 -2.608 1.00 0.00 C ATOM 0 H MET A 50 -4.443 2.937 -4.771 1.00 0.00 H new ATOM 0 HA MET A 50 -2.816 2.715 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.848 2.307 -0.965 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.896 3.916 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.239 2.821 -3.635 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.440 1.444 -2.568 1.00 0.00 H new ATOM 0 HE1 MET A 50 -8.213 5.651 -2.239 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.467 5.365 -2.429 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.601 4.800 -3.678 1.00 0.00 H new ATOM 811 N TYR A 51 -3.157 0.218 -2.253 1.00 0.00 N ATOM 812 CA TYR A 51 -3.104 -1.233 -2.389 1.00 0.00 C ATOM 813 C TYR A 51 -3.783 -1.862 -1.190 1.00 0.00 C ATOM 814 O TYR A 51 -3.316 -1.702 -0.062 1.00 0.00 O ATOM 815 CB TYR A 51 -1.645 -1.689 -2.451 1.00 0.00 C ATOM 816 CG TYR A 51 -1.569 -3.153 -2.829 1.00 0.00 C ATOM 817 CD1 TYR A 51 -1.616 -3.531 -4.176 1.00 0.00 C ATOM 818 CD2 TYR A 51 -1.444 -4.131 -1.833 1.00 0.00 C ATOM 819 CE1 TYR A 51 -1.539 -4.883 -4.528 1.00 0.00 C ATOM 820 CE2 TYR A 51 -1.369 -5.483 -2.185 1.00 0.00 C ATOM 821 CZ TYR A 51 -1.415 -5.860 -3.532 1.00 0.00 C ATOM 822 OH TYR A 51 -1.337 -7.193 -3.879 1.00 0.00 O ATOM 0 H TYR A 51 -2.693 0.575 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.612 -1.538 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.100 -1.089 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.166 -1.530 -1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.712 -2.778 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.406 -3.841 -0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.575 -5.173 -5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.276 -6.236 -1.417 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.948 -7.373 -4.624 1.00 0.00 H new ATOM 832 N ARG A 52 -4.907 -2.546 -1.426 1.00 0.00 N ATOM 833 CA ARG A 52 -5.664 -3.146 -0.329 1.00 0.00 C ATOM 834 C ARG A 52 -6.164 -4.538 -0.657 1.00 0.00 C ATOM 835 O ARG A 52 -6.468 -4.856 -1.809 1.00 0.00 O ATOM 836 CB ARG A 52 -6.839 -2.240 0.066 1.00 0.00 C ATOM 837 CG ARG A 52 -7.799 -2.042 -1.118 1.00 0.00 C ATOM 838 CD ARG A 52 -9.014 -1.242 -0.650 1.00 0.00 C ATOM 839 NE ARG A 52 -9.793 -2.017 0.336 1.00 0.00 N ATOM 840 CZ ARG A 52 -10.862 -1.507 1.004 1.00 0.00 C ATOM 841 NH1 ARG A 52 -11.270 -0.269 0.804 1.00 0.00 N ATOM 842 NH2 ARG A 52 -11.496 -2.259 1.863 1.00 0.00 N ATOM 0 H ARG A 52 -5.306 -2.695 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.979 -3.243 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.377 -2.680 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.462 -1.273 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.293 -1.517 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.114 -3.008 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.689 -0.301 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.643 -0.992 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.516 -2.980 0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.781 0.328 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.075 0.092 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.188 -3.217 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.299 -1.888 2.370 1.00 0.00 H new ATOM 856 N ASP A 53 -6.270 -5.348 0.388 1.00 0.00 N ATOM 857 CA ASP A 53 -6.758 -6.714 0.282 1.00 0.00 C ATOM 858 C ASP A 53 -5.991 -7.487 -0.806 1.00 0.00 C ATOM 859 O ASP A 53 -6.568 -8.302 -1.541 1.00 0.00 O ATOM 860 CB ASP A 53 -8.275 -6.710 -0.011 1.00 0.00 C ATOM 861 CG ASP A 53 -9.076 -5.980 1.086 1.00 0.00 C ATOM 862 OD1 ASP A 53 -8.525 -5.705 2.135 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.241 -5.708 0.846 1.00 0.00 O ATOM 0 H ASP A 53 -6.018 -5.073 1.337 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.587 -7.221 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.457 -6.230 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.630 -7.737 -0.096 1.00 0.00 H new ATOM 868 N GLY A 54 -4.682 -7.236 -0.878 1.00 0.00 N ATOM 869 CA GLY A 54 -3.810 -7.912 -1.846 1.00 0.00 C ATOM 870 C GLY A 54 -4.069 -7.444 -3.292 1.00 0.00 C ATOM 871 O GLY A 54 -3.647 -8.114 -4.242 1.00 0.00 O ATOM 0 H GLY A 54 -4.200 -6.568 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.768 -7.724 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.965 -8.989 -1.782 1.00 0.00 H new ATOM 875 N ALA A 55 -4.777 -6.306 -3.458 1.00 0.00 N ATOM 876 CA ALA A 55 -5.085 -5.786 -4.800 1.00 0.00 C ATOM 877 C ALA A 55 -5.136 -4.259 -4.815 1.00 0.00 C ATOM 878 O ALA A 55 -5.572 -3.637 -3.848 1.00 0.00 O ATOM 879 CB ALA A 55 -6.422 -6.349 -5.283 1.00 0.00 C ATOM 0 H ALA A 55 -5.139 -5.740 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.286 -6.104 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.643 -5.960 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.365 -7.437 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.212 -6.053 -4.593 1.00 0.00 H new ATOM 885 N GLU A 56 -4.725 -3.669 -5.946 1.00 0.00 N ATOM 886 CA GLU A 56 -4.754 -2.209 -6.120 1.00 0.00 C ATOM 887 C GLU A 56 -6.151 -1.735 -6.528 1.00 0.00 C ATOM 888 O GLU A 56 -6.912 -2.488 -7.146 1.00 0.00 O ATOM 889 CB GLU A 56 -3.711 -1.757 -7.165 1.00 0.00 C ATOM 890 CG GLU A 56 -3.980 -2.434 -8.522 1.00 0.00 C ATOM 891 CD GLU A 56 -2.969 -1.952 -9.563 1.00 0.00 C ATOM 892 OE1 GLU A 56 -2.704 -0.759 -9.600 1.00 0.00 O ATOM 893 OE2 GLU A 56 -2.474 -2.783 -10.307 1.00 0.00 O ATOM 0 H GLU A 56 -4.369 -4.180 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.501 -1.756 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.747 -0.674 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.708 -2.008 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.915 -3.517 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.993 -2.207 -8.855 1.00 0.00 H new ATOM 900 N VAL A 57 -6.481 -0.480 -6.180 1.00 0.00 N ATOM 901 CA VAL A 57 -7.788 0.090 -6.517 1.00 0.00 C ATOM 902 C VAL A 57 -8.016 0.053 -8.040 1.00 0.00 C ATOM 903 O VAL A 57 -7.091 0.304 -8.818 1.00 0.00 O ATOM 904 CB VAL A 57 -7.899 1.537 -5.967 1.00 0.00 C ATOM 905 CG1 VAL A 57 -6.843 2.439 -6.618 1.00 0.00 C ATOM 906 CG2 VAL A 57 -9.302 2.104 -6.243 1.00 0.00 C ATOM 0 H VAL A 57 -5.864 0.152 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.567 -0.512 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.728 1.510 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.934 3.450 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.848 2.051 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.995 2.457 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.367 3.120 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.485 2.116 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.050 1.479 -5.755 1.00 0.00 H new ATOM 1044 N ARG A 68 -1.564 4.266 -14.411 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.446 5.130 -14.014 1.00 0.00 C ATOM 1046 C ARG A 68 0.380 4.492 -12.903 1.00 0.00 C ATOM 1047 O ARG A 68 1.611 4.520 -12.950 1.00 0.00 O ATOM 1048 CB ARG A 68 -0.956 6.515 -13.564 1.00 0.00 C ATOM 1049 CG ARG A 68 -1.186 7.436 -14.786 1.00 0.00 C ATOM 1050 CD ARG A 68 -2.403 6.965 -15.594 1.00 0.00 C ATOM 1051 NE ARG A 68 -2.764 7.975 -16.608 1.00 0.00 N ATOM 1052 CZ ARG A 68 -3.707 7.767 -17.564 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -4.368 6.627 -17.640 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -3.961 8.713 -18.427 1.00 0.00 N ATOM 0 HA ARG A 68 0.194 5.258 -14.887 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.886 6.402 -13.007 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.233 6.972 -12.888 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.339 8.462 -14.452 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.299 7.437 -15.420 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.181 6.015 -16.080 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.247 6.792 -14.926 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.282 8.874 -16.590 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.175 5.880 -16.973 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.072 6.493 -18.366 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.454 9.597 -18.379 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.667 8.568 -19.149 1.00 0.00 H new ATOM 1068 N ALA A 69 -0.306 3.909 -11.904 1.00 0.00 N ATOM 1069 CA ALA A 69 0.363 3.271 -10.781 1.00 0.00 C ATOM 1070 C ALA A 69 -0.095 1.828 -10.618 1.00 0.00 C ATOM 1071 O ALA A 69 -1.297 1.551 -10.577 1.00 0.00 O ATOM 1072 CB ALA A 69 0.080 4.048 -9.497 1.00 0.00 C ATOM 0 H ALA A 69 -1.324 3.872 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 69 1.435 3.271 -10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.584 3.564 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.447 5.069 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.994 4.066 -9.312 1.00 0.00 H new ATOM 1078 N GLU A 70 0.874 0.921 -10.484 1.00 0.00 N ATOM 1079 CA GLU A 70 0.586 -0.500 -10.287 1.00 0.00 C ATOM 1080 C GLU A 70 1.539 -1.094 -9.260 1.00 0.00 C ATOM 1081 O GLU A 70 2.645 -0.594 -9.073 1.00 0.00 O ATOM 1082 CB GLU A 70 0.674 -1.271 -11.621 1.00 0.00 C ATOM 1083 CG GLU A 70 2.069 -1.116 -12.245 1.00 0.00 C ATOM 1084 CD GLU A 70 2.074 -1.703 -13.653 1.00 0.00 C ATOM 1085 OE1 GLU A 70 1.418 -1.138 -14.512 1.00 0.00 O ATOM 1086 OE2 GLU A 70 2.734 -2.710 -13.852 1.00 0.00 O ATOM 0 H GLU A 70 1.868 1.147 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.433 -0.594 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.461 -2.326 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.083 -0.900 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.347 -0.063 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.812 -1.622 -11.628 1.00 0.00 H new ATOM 1093 N TRP A 71 1.074 -2.124 -8.558 1.00 0.00 N ATOM 1094 CA TRP A 71 1.852 -2.746 -7.488 1.00 0.00 C ATOM 1095 C TRP A 71 2.738 -3.887 -8.014 1.00 0.00 C ATOM 1096 O TRP A 71 2.249 -4.858 -8.598 1.00 0.00 O ATOM 1097 CB TRP A 71 0.886 -3.253 -6.395 1.00 0.00 C ATOM 1098 CG TRP A 71 1.628 -3.919 -5.265 1.00 0.00 C ATOM 1099 CD1 TRP A 71 2.137 -3.286 -4.186 1.00 0.00 C ATOM 1100 CD2 TRP A 71 1.939 -5.331 -5.097 1.00 0.00 C ATOM 1101 NE1 TRP A 71 2.740 -4.224 -3.365 1.00 0.00 N ATOM 1102 CE2 TRP A 71 2.643 -5.499 -3.886 1.00 0.00 C ATOM 1103 CE3 TRP A 71 1.677 -6.475 -5.875 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 3.076 -6.752 -3.457 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 2.111 -7.741 -5.446 1.00 0.00 C ATOM 1106 CH2 TRP A 71 2.810 -7.878 -4.238 1.00 0.00 C ATOM 0 H TRP A 71 0.159 -2.548 -8.711 1.00 0.00 H new ATOM 0 HA TRP A 71 2.524 -2.000 -7.064 1.00 0.00 H new ATOM 0 HB2 TRP A 71 0.304 -2.417 -6.006 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.179 -3.958 -6.832 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.083 -2.224 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.200 -4.000 -2.483 1.00 0.00 H new ATOM 0 HE3 TRP A 71 1.139 -6.379 -6.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.614 -6.851 -2.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.905 -8.613 -6.050 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.142 -8.853 -3.913 1.00 0.00 H new ATOM 1117 N MET A 72 4.037 -3.770 -7.733 1.00 0.00 N ATOM 1118 CA MET A 72 5.011 -4.791 -8.095 1.00 0.00 C ATOM 1119 C MET A 72 5.960 -5.032 -6.908 1.00 0.00 C ATOM 1120 O MET A 72 6.549 -4.085 -6.379 1.00 0.00 O ATOM 1121 CB MET A 72 5.803 -4.338 -9.336 1.00 0.00 C ATOM 1122 CG MET A 72 6.781 -5.436 -9.779 1.00 0.00 C ATOM 1123 SD MET A 72 7.654 -4.899 -11.270 1.00 0.00 S ATOM 1124 CE MET A 72 8.685 -3.637 -10.483 1.00 0.00 C ATOM 0 H MET A 72 4.438 -2.966 -7.250 1.00 0.00 H new ATOM 0 HA MET A 72 4.497 -5.722 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.115 -4.106 -10.149 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.351 -3.423 -9.111 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.495 -5.646 -8.982 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.241 -6.362 -9.975 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.595 -3.496 -11.066 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.136 -2.697 -10.434 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.946 -3.957 -9.474 1.00 0.00 H new ATOM 1134 N GLU A 73 6.091 -6.299 -6.494 1.00 0.00 N ATOM 1135 CA GLU A 73 6.959 -6.656 -5.365 1.00 0.00 C ATOM 1136 C GLU A 73 8.431 -6.516 -5.755 1.00 0.00 C ATOM 1137 O GLU A 73 8.815 -6.839 -6.884 1.00 0.00 O ATOM 1138 CB GLU A 73 6.664 -8.086 -4.891 1.00 0.00 C ATOM 1139 CG GLU A 73 7.427 -8.371 -3.575 1.00 0.00 C ATOM 1140 CD GLU A 73 7.086 -9.771 -3.009 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.311 -10.493 -3.631 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.608 -10.095 -1.955 1.00 0.00 O ATOM 0 H GLU A 73 5.610 -7.090 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 73 6.753 -5.970 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.593 -8.214 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.962 -8.802 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.500 -8.302 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.177 -7.609 -2.837 1.00 0.00 H new ATOM 1149 N ASP A 74 9.244 -6.009 -4.818 1.00 0.00 N ATOM 1150 CA ASP A 74 10.670 -5.795 -5.070 1.00 0.00 C ATOM 1151 C ASP A 74 11.460 -7.101 -4.957 1.00 0.00 C ATOM 1152 O ASP A 74 10.900 -8.157 -4.649 1.00 0.00 O ATOM 1153 CB ASP A 74 11.231 -4.753 -4.079 1.00 0.00 C ATOM 1154 CG ASP A 74 11.229 -5.284 -2.622 1.00 0.00 C ATOM 1155 OD1 ASP A 74 10.814 -6.419 -2.400 1.00 0.00 O ATOM 1156 OD2 ASP A 74 11.645 -4.540 -1.751 1.00 0.00 O ATOM 0 H ASP A 74 8.937 -5.741 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 74 10.778 -5.423 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.248 -4.488 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.636 -3.842 -4.134 1.00 0.00 H new ATOM 1161 N SER A 75 12.767 -7.015 -5.230 1.00 0.00 N ATOM 1162 CA SER A 75 13.657 -8.176 -5.182 1.00 0.00 C ATOM 1163 C SER A 75 13.784 -8.749 -3.768 1.00 0.00 C ATOM 1164 O SER A 75 13.898 -9.967 -3.596 1.00 0.00 O ATOM 1165 CB SER A 75 15.043 -7.806 -5.714 1.00 0.00 C ATOM 1166 OG SER A 75 15.887 -8.951 -5.661 1.00 0.00 O ATOM 0 H SER A 75 13.233 -6.145 -5.488 1.00 0.00 H new ATOM 0 HA SER A 75 13.214 -8.945 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.967 -7.443 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.469 -6.998 -5.120 1.00 0.00 H new ATOM 0 HG SER A 75 16.776 -8.718 -6.002 1.00 0.00 H new ATOM 1172 N THR A 76 13.839 -7.859 -2.768 1.00 0.00 N ATOM 1173 CA THR A 76 14.046 -8.274 -1.373 1.00 0.00 C ATOM 1174 C THR A 76 12.906 -9.190 -0.901 1.00 0.00 C ATOM 1175 O THR A 76 13.144 -10.171 -0.189 1.00 0.00 O ATOM 1176 CB THR A 76 14.138 -7.020 -0.469 1.00 0.00 C ATOM 1177 OG1 THR A 76 15.192 -6.190 -0.936 1.00 0.00 O ATOM 1178 CG2 THR A 76 14.442 -7.424 0.987 1.00 0.00 C ATOM 0 H THR A 76 13.744 -6.852 -2.897 1.00 0.00 H new ATOM 0 HA THR A 76 14.978 -8.835 -1.307 1.00 0.00 H new ATOM 0 HB THR A 76 13.185 -6.492 -0.504 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.256 -5.393 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.503 -6.530 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.647 -8.070 1.359 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.391 -7.958 1.026 1.00 0.00 H new ATOM 1186 N GLU A 77 11.677 -8.869 -1.314 1.00 0.00 N ATOM 1187 CA GLU A 77 10.495 -9.669 -0.946 1.00 0.00 C ATOM 1188 C GLU A 77 10.466 -9.976 0.568 1.00 0.00 C ATOM 1189 O GLU A 77 9.901 -10.992 0.996 1.00 0.00 O ATOM 1190 CB GLU A 77 10.474 -10.989 -1.746 1.00 0.00 C ATOM 1191 CG GLU A 77 10.437 -10.694 -3.251 1.00 0.00 C ATOM 1192 CD GLU A 77 10.393 -12.001 -4.035 1.00 0.00 C ATOM 1193 OE1 GLU A 77 11.230 -12.851 -3.779 1.00 0.00 O ATOM 1194 OE2 GLU A 77 9.523 -12.134 -4.880 1.00 0.00 O ATOM 0 H GLU A 77 11.470 -8.062 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 77 9.610 -9.081 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.356 -11.583 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.604 -11.581 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.564 -10.087 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.315 -10.116 -3.539 1.00 0.00 H new ATOM 1201 N GLU A 78 11.069 -9.083 1.373 1.00 0.00 N ATOM 1202 CA GLU A 78 11.106 -9.256 2.830 1.00 0.00 C ATOM 1203 C GLU A 78 10.261 -8.180 3.529 1.00 0.00 C ATOM 1204 O GLU A 78 10.792 -7.246 4.154 1.00 0.00 O ATOM 1205 CB GLU A 78 12.560 -9.209 3.328 1.00 0.00 C ATOM 1206 CG GLU A 78 12.615 -9.670 4.790 1.00 0.00 C ATOM 1207 CD GLU A 78 14.050 -9.609 5.322 1.00 0.00 C ATOM 1208 OE1 GLU A 78 14.962 -9.934 4.574 1.00 0.00 O ATOM 1209 OE2 GLU A 78 14.215 -9.237 6.473 1.00 0.00 O ATOM 0 H GLU A 78 11.534 -8.239 1.038 1.00 0.00 H new ATOM 0 HA GLU A 78 10.681 -10.229 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.188 -9.850 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.953 -8.196 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.968 -9.039 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.235 -10.688 4.870 1.00 0.00 H new ATOM 1216 N GLY A 79 8.938 -8.316 3.407 1.00 0.00 N ATOM 1217 CA GLY A 79 8.005 -7.362 4.014 1.00 0.00 C ATOM 1218 C GLY A 79 8.083 -5.989 3.332 1.00 0.00 C ATOM 1219 O GLY A 79 7.746 -4.971 3.938 1.00 0.00 O ATOM 0 H GLY A 79 8.489 -9.075 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.989 -7.749 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.230 -7.256 5.075 1.00 0.00 H new ATOM 1223 N SER A 80 8.551 -5.968 2.074 1.00 0.00 N ATOM 1224 CA SER A 80 8.695 -4.723 1.324 1.00 0.00 C ATOM 1225 C SER A 80 7.726 -4.679 0.155 1.00 0.00 C ATOM 1226 O SER A 80 7.519 -5.682 -0.535 1.00 0.00 O ATOM 1227 CB SER A 80 10.127 -4.583 0.808 1.00 0.00 C ATOM 1228 OG SER A 80 10.230 -3.402 0.020 1.00 0.00 O ATOM 0 H SER A 80 8.835 -6.802 1.560 1.00 0.00 H new ATOM 0 HA SER A 80 8.468 -3.895 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.824 -4.538 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.398 -5.455 0.214 1.00 0.00 H new ATOM 0 HG SER A 80 10.844 -3.560 -0.727 1.00 0.00 H new ATOM 1234 N VAL A 81 7.153 -3.499 -0.071 1.00 0.00 N ATOM 1235 CA VAL A 81 6.215 -3.285 -1.174 1.00 0.00 C ATOM 1236 C VAL A 81 6.715 -2.161 -2.070 1.00 0.00 C ATOM 1237 O VAL A 81 7.380 -1.235 -1.597 1.00 0.00 O ATOM 1238 CB VAL A 81 4.805 -2.946 -0.634 1.00 0.00 C ATOM 1239 CG1 VAL A 81 4.260 -4.134 0.156 1.00 0.00 C ATOM 1240 CG2 VAL A 81 4.865 -1.710 0.288 1.00 0.00 C ATOM 0 H VAL A 81 7.323 -2.670 0.499 1.00 0.00 H new ATOM 0 HA VAL A 81 6.149 -4.204 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 81 4.151 -2.730 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.267 -3.894 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.198 -5.006 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.925 -4.351 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.865 -1.484 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.527 -1.915 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.245 -0.856 -0.273 1.00 0.00 H new ATOM 1250 N ALA A 82 6.396 -2.250 -3.364 1.00 0.00 N ATOM 1251 CA ALA A 82 6.832 -1.244 -4.331 1.00 0.00 C ATOM 1252 C ALA A 82 5.689 -0.833 -5.248 1.00 0.00 C ATOM 1253 O ALA A 82 4.865 -1.664 -5.644 1.00 0.00 O ATOM 1254 CB ALA A 82 8.007 -1.784 -5.161 1.00 0.00 C ATOM 0 H ALA A 82 5.840 -3.006 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 82 7.158 -0.362 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.324 -1.027 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.838 -2.028 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.693 -2.681 -5.695 1.00 0.00 H new ATOM 1260 N LEU A 83 5.666 0.452 -5.594 1.00 0.00 N ATOM 1261 CA LEU A 83 4.653 1.000 -6.482 1.00 0.00 C ATOM 1262 C LEU A 83 5.315 1.524 -7.743 1.00 0.00 C ATOM 1263 O LEU A 83 6.133 2.451 -7.684 1.00 0.00 O ATOM 1264 CB LEU A 83 3.895 2.149 -5.775 1.00 0.00 C ATOM 1265 CG LEU A 83 2.782 2.737 -6.688 1.00 0.00 C ATOM 1266 CD1 LEU A 83 1.652 1.712 -6.882 1.00 0.00 C ATOM 1267 CD2 LEU A 83 2.219 4.006 -6.043 1.00 0.00 C ATOM 0 H LEU A 83 6.347 1.137 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 83 3.943 0.215 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.452 1.780 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.597 2.936 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 83 3.209 2.975 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.880 2.138 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.053 0.811 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.220 1.459 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.438 4.422 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.800 3.763 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.018 4.738 -5.923 1.00 0.00 H new ATOM 1279 N LYS A 84 4.937 0.949 -8.878 1.00 0.00 N ATOM 1280 CA LYS A 84 5.470 1.382 -10.157 1.00 0.00 C ATOM 1281 C LYS A 84 4.586 2.488 -10.733 1.00 0.00 C ATOM 1282 O LYS A 84 3.426 2.252 -11.055 1.00 0.00 O ATOM 1283 CB LYS A 84 5.539 0.188 -11.121 1.00 0.00 C ATOM 1284 CG LYS A 84 6.237 0.606 -12.432 1.00 0.00 C ATOM 1285 CD LYS A 84 6.496 -0.627 -13.317 1.00 0.00 C ATOM 1286 CE LYS A 84 5.176 -1.148 -13.903 1.00 0.00 C ATOM 1287 NZ LYS A 84 5.456 -2.285 -14.825 1.00 0.00 N ATOM 0 H LYS A 84 4.265 0.184 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 84 6.477 1.776 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.083 -0.634 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.534 -0.176 -11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.617 1.324 -12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.180 1.105 -12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.182 -0.367 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.976 -1.410 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.512 -1.471 -13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.663 -0.349 -14.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.635 -2.922 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.639 -1.919 -15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.290 -2.808 -14.489 1.00 0.00 H new ATOM 1301 N ILE A 85 5.156 3.694 -10.854 1.00 0.00 N ATOM 1302 CA ILE A 85 4.426 4.852 -11.379 1.00 0.00 C ATOM 1303 C ILE A 85 4.995 5.249 -12.745 1.00 0.00 C ATOM 1304 O ILE A 85 6.205 5.279 -12.920 1.00 0.00 O ATOM 1305 CB ILE A 85 4.518 6.035 -10.369 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.660 7.221 -10.853 1.00 0.00 C ATOM 1307 CG2 ILE A 85 5.977 6.490 -10.201 1.00 0.00 C ATOM 1308 CD1 ILE A 85 2.174 6.905 -10.650 1.00 0.00 C ATOM 0 H ILE A 85 6.122 3.892 -10.594 1.00 0.00 H new ATOM 0 HA ILE A 85 3.375 4.593 -11.509 1.00 0.00 H new ATOM 0 HB ILE A 85 4.142 5.690 -9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.928 8.123 -10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.858 7.419 -11.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.021 7.317 -9.492 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.576 5.660 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.369 6.817 -11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.573 7.747 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.910 6.014 -11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.981 6.729 -9.592 1.00 0.00 H new ATOM 1320 N ARG A 86 4.112 5.508 -13.720 1.00 0.00 N ATOM 1321 CA ARG A 86 4.555 5.836 -15.087 1.00 0.00 C ATOM 1322 C ARG A 86 4.338 7.311 -15.416 1.00 0.00 C ATOM 1323 O ARG A 86 3.492 7.976 -14.815 1.00 0.00 O ATOM 1324 CB ARG A 86 3.834 4.952 -16.118 1.00 0.00 C ATOM 1325 CG ARG A 86 4.131 3.471 -15.832 1.00 0.00 C ATOM 1326 CD ARG A 86 3.486 2.595 -16.907 1.00 0.00 C ATOM 1327 NE ARG A 86 4.203 2.745 -18.193 1.00 0.00 N ATOM 1328 CZ ARG A 86 3.716 3.441 -19.257 1.00 0.00 C ATOM 1329 NH1 ARG A 86 2.554 4.066 -19.210 1.00 0.00 N ATOM 1330 NH2 ARG A 86 4.421 3.492 -20.355 1.00 0.00 N ATOM 0 H ARG A 86 3.100 5.498 -13.593 1.00 0.00 H new ATOM 0 HA ARG A 86 5.626 5.638 -15.136 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.760 5.132 -16.077 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.162 5.210 -17.125 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.208 3.304 -15.812 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.748 3.197 -14.849 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.503 1.551 -16.593 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.440 2.873 -17.032 1.00 0.00 H new ATOM 0 HE ARG A 86 5.116 2.301 -18.288 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.993 4.036 -18.359 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.217 4.579 -20.025 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.321 3.015 -20.406 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.072 4.009 -21.162 1.00 0.00 H new ATOM 1344 N GLN A 87 5.122 7.813 -16.382 1.00 0.00 N ATOM 1345 CA GLN A 87 5.042 9.214 -16.814 1.00 0.00 C ATOM 1346 C GLN A 87 5.393 10.164 -15.659 1.00 0.00 C ATOM 1347 O GLN A 87 4.589 11.001 -15.231 1.00 0.00 O ATOM 1348 CB GLN A 87 3.644 9.515 -17.396 1.00 0.00 C ATOM 1349 CG GLN A 87 3.550 8.909 -18.807 1.00 0.00 C ATOM 1350 CD GLN A 87 3.524 7.382 -18.719 1.00 0.00 C ATOM 1351 OE1 GLN A 87 2.500 6.799 -18.360 1.00 0.00 O ATOM 1352 NE2 GLN A 87 4.612 6.697 -18.980 1.00 0.00 N ATOM 0 H GLN A 87 5.822 7.264 -16.881 1.00 0.00 H new ATOM 0 HA GLN A 87 5.776 9.380 -17.603 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.870 9.095 -16.753 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.476 10.591 -17.436 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.650 9.268 -19.307 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.400 9.233 -19.408 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.460 7.180 -19.277 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.610 5.681 -18.886 1.00 0.00 H new ATOM 1361 N VAL A 88 6.613 9.992 -15.155 1.00 0.00 N ATOM 1362 CA VAL A 88 7.141 10.782 -14.037 1.00 0.00 C ATOM 1363 C VAL A 88 7.429 12.228 -14.478 1.00 0.00 C ATOM 1364 O VAL A 88 7.819 12.474 -15.622 1.00 0.00 O ATOM 1365 CB VAL A 88 8.425 10.111 -13.487 1.00 0.00 C ATOM 1366 CG1 VAL A 88 8.998 10.916 -12.309 1.00 0.00 C ATOM 1367 CG2 VAL A 88 8.106 8.677 -13.017 1.00 0.00 C ATOM 0 H VAL A 88 7.270 9.297 -15.511 1.00 0.00 H new ATOM 0 HA VAL A 88 6.393 10.818 -13.245 1.00 0.00 H new ATOM 0 HB VAL A 88 9.165 10.081 -14.287 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.899 10.427 -11.938 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.243 11.924 -12.642 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.258 10.968 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.012 8.210 -12.631 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.353 8.711 -12.230 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.727 8.095 -13.857 1.00 0.00 H new ATOM 1377 N GLN A 89 7.207 13.172 -13.558 1.00 0.00 N ATOM 1378 CA GLN A 89 7.418 14.611 -13.838 1.00 0.00 C ATOM 1379 C GLN A 89 7.899 15.399 -12.574 1.00 0.00 C ATOM 1380 O GLN A 89 7.929 14.841 -11.462 1.00 0.00 O ATOM 1381 CB GLN A 89 6.158 15.307 -14.504 1.00 0.00 C ATOM 1382 CG GLN A 89 4.830 14.540 -14.262 1.00 0.00 C ATOM 1383 CD GLN A 89 4.288 14.844 -12.881 1.00 0.00 C ATOM 1384 OE1 GLN A 89 3.207 15.417 -12.750 1.00 0.00 O ATOM 1385 NE2 GLN A 89 4.985 14.519 -11.838 1.00 0.00 N ATOM 0 H GLN A 89 6.882 12.974 -12.612 1.00 0.00 H new ATOM 0 HA GLN A 89 8.221 14.648 -14.574 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.061 16.319 -14.111 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.327 15.397 -15.577 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.097 14.822 -15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.998 13.468 -14.366 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.881 14.044 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.638 14.738 -10.904 1.00 0.00 H new ATOM 1394 N PRO A 90 8.357 16.669 -12.733 1.00 0.00 N ATOM 1395 CA PRO A 90 8.925 17.474 -11.592 1.00 0.00 C ATOM 1396 C PRO A 90 8.029 17.488 -10.353 1.00 0.00 C ATOM 1397 O PRO A 90 8.537 17.422 -9.225 1.00 0.00 O ATOM 1398 CB PRO A 90 9.060 18.877 -12.183 1.00 0.00 C ATOM 1399 CG PRO A 90 9.286 18.644 -13.635 1.00 0.00 C ATOM 1400 CD PRO A 90 8.389 17.467 -14.000 1.00 0.00 C ATOM 0 HA PRO A 90 9.864 17.052 -11.234 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.162 19.470 -12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.891 19.420 -11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.031 19.528 -14.219 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.333 18.418 -13.839 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.393 17.795 -14.297 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.796 16.891 -14.831 1.00 0.00 H new ATOM 1408 N SER A 91 6.705 17.558 -10.554 1.00 0.00 N ATOM 1409 CA SER A 91 5.770 17.556 -9.418 1.00 0.00 C ATOM 1410 C SER A 91 5.902 16.253 -8.617 1.00 0.00 C ATOM 1411 O SER A 91 5.757 16.255 -7.392 1.00 0.00 O ATOM 1412 CB SER A 91 4.328 17.746 -9.895 1.00 0.00 C ATOM 1413 OG SER A 91 3.940 16.638 -10.684 1.00 0.00 O ATOM 0 H SER A 91 6.264 17.616 -11.472 1.00 0.00 H new ATOM 0 HA SER A 91 6.025 18.393 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.661 17.847 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.244 18.665 -10.475 1.00 0.00 H new ATOM 0 HG SER A 91 3.634 16.952 -11.561 1.00 0.00 H new ATOM 1419 N ASP A 92 6.255 15.157 -9.315 1.00 0.00 N ATOM 1420 CA ASP A 92 6.498 13.865 -8.662 1.00 0.00 C ATOM 1421 C ASP A 92 7.724 13.960 -7.757 1.00 0.00 C ATOM 1422 O ASP A 92 7.769 13.348 -6.687 1.00 0.00 O ATOM 1423 CB ASP A 92 6.712 12.754 -9.711 1.00 0.00 C ATOM 1424 CG ASP A 92 6.751 11.356 -9.054 1.00 0.00 C ATOM 1425 OD1 ASP A 92 6.964 11.273 -7.849 1.00 0.00 O ATOM 1426 OD2 ASP A 92 6.568 10.390 -9.775 1.00 0.00 O ATOM 0 H ASP A 92 6.377 15.144 -10.328 1.00 0.00 H new ATOM 0 HA ASP A 92 5.623 13.614 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.910 12.789 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.645 12.932 -10.246 1.00 0.00 H new ATOM 1431 N ASP A 93 8.724 14.742 -8.203 1.00 0.00 N ATOM 1432 CA ASP A 93 9.971 14.929 -7.443 1.00 0.00 C ATOM 1433 C ASP A 93 9.671 15.264 -5.985 1.00 0.00 C ATOM 1434 O ASP A 93 8.894 16.180 -5.696 1.00 0.00 O ATOM 1435 CB ASP A 93 10.783 16.070 -8.058 1.00 0.00 C ATOM 1436 CG ASP A 93 12.212 16.053 -7.520 1.00 0.00 C ATOM 1437 OD1 ASP A 93 12.791 14.980 -7.453 1.00 0.00 O ATOM 1438 OD2 ASP A 93 12.708 17.116 -7.182 1.00 0.00 O ATOM 0 H ASP A 93 8.692 15.254 -9.085 1.00 0.00 H new ATOM 0 HA ASP A 93 10.539 14.000 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.795 15.973 -9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.312 17.026 -7.828 1.00 0.00 H new ATOM 1443 N GLY A 94 10.289 14.507 -5.072 1.00 0.00 N ATOM 1444 CA GLY A 94 10.086 14.707 -3.641 1.00 0.00 C ATOM 1445 C GLY A 94 10.063 13.375 -2.899 1.00 0.00 C ATOM 1446 O GLY A 94 10.631 12.381 -3.363 1.00 0.00 O ATOM 0 H GLY A 94 10.933 13.751 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.882 15.336 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.148 15.236 -3.474 1.00 0.00 H new ATOM 1450 N GLN A 95 9.416 13.373 -1.733 1.00 0.00 N ATOM 1451 CA GLN A 95 9.310 12.172 -0.900 1.00 0.00 C ATOM 1452 C GLN A 95 7.862 11.700 -0.817 1.00 0.00 C ATOM 1453 O GLN A 95 6.925 12.501 -0.982 1.00 0.00 O ATOM 1454 CB GLN A 95 9.845 12.445 0.519 1.00 0.00 C ATOM 1455 CG GLN A 95 11.317 12.889 0.464 1.00 0.00 C ATOM 1456 CD GLN A 95 11.419 14.356 0.053 1.00 0.00 C ATOM 1457 OE1 GLN A 95 12.119 14.685 -0.904 1.00 0.00 O ATOM 1458 NE2 GLN A 95 10.760 15.259 0.724 1.00 0.00 N ATOM 0 H GLN A 95 8.955 14.194 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 95 9.913 11.390 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.244 13.218 0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.753 11.546 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.783 12.745 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.864 12.268 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.181 14.983 1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.824 16.241 0.456 1.00 0.00 H new ATOM 1467 N TYR A 96 7.674 10.398 -0.526 1.00 0.00 N ATOM 1468 CA TYR A 96 6.329 9.839 -0.375 1.00 0.00 C ATOM 1469 C TYR A 96 6.193 9.144 0.987 1.00 0.00 C ATOM 1470 O TYR A 96 7.123 8.471 1.436 1.00 0.00 O ATOM 1471 CB TYR A 96 5.980 8.865 -1.572 1.00 0.00 C ATOM 1472 CG TYR A 96 6.345 7.413 -1.272 1.00 0.00 C ATOM 1473 CD1 TYR A 96 5.426 6.610 -0.587 1.00 0.00 C ATOM 1474 CD2 TYR A 96 7.571 6.886 -1.671 1.00 0.00 C ATOM 1475 CE1 TYR A 96 5.737 5.284 -0.299 1.00 0.00 C ATOM 1476 CE2 TYR A 96 7.880 5.556 -1.386 1.00 0.00 C ATOM 1477 CZ TYR A 96 6.961 4.758 -0.701 1.00 0.00 C ATOM 1478 OH TYR A 96 7.273 3.461 -0.415 1.00 0.00 O ATOM 0 H TYR A 96 8.430 9.726 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 96 5.606 10.654 -0.408 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.914 8.930 -1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.509 9.191 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.474 7.019 -0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.280 7.505 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.031 4.665 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.829 5.144 -1.695 1.00 0.00 H new ATOM 0 HH TYR A 96 6.970 2.883 -1.146 1.00 0.00 H new ATOM 1488 N TRP A 97 5.020 9.277 1.601 1.00 0.00 N ATOM 1489 CA TRP A 97 4.754 8.637 2.881 1.00 0.00 C ATOM 1490 C TRP A 97 4.058 7.298 2.678 1.00 0.00 C ATOM 1491 O TRP A 97 2.941 7.240 2.154 1.00 0.00 O ATOM 1492 CB TRP A 97 3.891 9.553 3.755 1.00 0.00 C ATOM 1493 CG TRP A 97 4.705 10.731 4.197 1.00 0.00 C ATOM 1494 CD1 TRP A 97 5.307 10.847 5.402 1.00 0.00 C ATOM 1495 CD2 TRP A 97 5.029 11.944 3.458 1.00 0.00 C ATOM 1496 NE1 TRP A 97 5.972 12.061 5.454 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.831 12.771 4.278 1.00 0.00 C ATOM 1498 CE3 TRP A 97 4.705 12.404 2.168 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 6.296 14.009 3.837 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 5.173 13.652 1.721 1.00 0.00 C ATOM 1501 CH2 TRP A 97 5.967 14.452 2.555 1.00 0.00 C ATOM 0 H TRP A 97 4.241 9.822 1.231 1.00 0.00 H new ATOM 0 HA TRP A 97 5.705 8.458 3.383 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.018 9.890 3.197 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.523 9.005 4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.275 10.114 6.194 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.501 12.390 6.262 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.094 11.795 1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.907 14.622 4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 4.919 13.997 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 97 6.324 15.410 2.206 1.00 0.00 H new ATOM 1512 N CYS A 98 4.714 6.230 3.139 1.00 0.00 N ATOM 1513 CA CYS A 98 4.154 4.884 3.058 1.00 0.00 C ATOM 1514 C CYS A 98 3.306 4.633 4.294 1.00 0.00 C ATOM 1515 O CYS A 98 3.836 4.577 5.401 1.00 0.00 O ATOM 1516 CB CYS A 98 5.303 3.863 2.990 1.00 0.00 C ATOM 1517 SG CYS A 98 4.643 2.175 2.953 1.00 0.00 S ATOM 0 H CYS A 98 5.636 6.275 3.573 1.00 0.00 H new ATOM 0 HA CYS A 98 3.535 4.783 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 98 5.907 4.044 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 98 5.959 3.986 3.852 1.00 0.00 H new ATOM 1522 N ARG A 99 1.977 4.550 4.106 1.00 0.00 N ATOM 1523 CA ARG A 99 1.054 4.395 5.228 1.00 0.00 C ATOM 1524 C ARG A 99 0.522 2.974 5.315 1.00 0.00 C ATOM 1525 O ARG A 99 -0.082 2.469 4.364 1.00 0.00 O ATOM 1526 CB ARG A 99 -0.114 5.373 5.064 1.00 0.00 C ATOM 1527 CG ARG A 99 -0.917 5.459 6.362 1.00 0.00 C ATOM 1528 CD ARG A 99 -2.019 6.521 6.217 1.00 0.00 C ATOM 1529 NE ARG A 99 -3.128 6.020 5.380 1.00 0.00 N ATOM 1530 CZ ARG A 99 -4.249 6.752 5.121 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -4.387 7.980 5.589 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -5.212 6.226 4.413 1.00 0.00 N ATOM 0 H ARG A 99 1.527 4.588 3.191 1.00 0.00 H new ATOM 0 HA ARG A 99 1.596 4.610 6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.263 6.360 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.760 5.046 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.360 4.490 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.259 5.714 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.397 6.795 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.602 7.425 5.772 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.052 5.086 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.647 8.396 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.233 8.512 5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.123 5.274 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.054 6.767 4.215 1.00 0.00 H new ATOM 1546 N PHE A 100 0.705 2.358 6.485 1.00 0.00 N ATOM 1547 CA PHE A 100 0.199 1.014 6.740 1.00 0.00 C ATOM 1548 C PHE A 100 -1.056 1.115 7.601 1.00 0.00 C ATOM 1549 O PHE A 100 -1.011 1.653 8.718 1.00 0.00 O ATOM 1550 CB PHE A 100 1.282 0.170 7.451 1.00 0.00 C ATOM 1551 CG PHE A 100 0.794 -1.254 7.659 1.00 0.00 C ATOM 1552 CD1 PHE A 100 0.836 -2.169 6.602 1.00 0.00 C ATOM 1553 CD2 PHE A 100 0.299 -1.652 8.909 1.00 0.00 C ATOM 1554 CE1 PHE A 100 0.386 -3.481 6.792 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.152 -2.963 9.097 1.00 0.00 C ATOM 1556 CZ PHE A 100 -0.108 -3.878 8.039 1.00 0.00 C ATOM 0 H PHE A 100 1.203 2.774 7.272 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.050 0.524 5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.196 0.165 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.530 0.620 8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.216 -1.863 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.266 -0.947 9.726 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.420 -4.187 5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.534 -3.269 10.059 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.455 -4.890 8.185 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.184 0.636 7.058 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.465 0.711 7.759 1.00 0.00 C ATOM 1568 C GLN A 101 -3.934 -0.665 8.207 1.00 0.00 C ATOM 1569 O GLN A 101 -4.124 -1.574 7.385 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.534 1.349 6.856 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.658 1.958 7.711 1.00 0.00 C ATOM 1572 CD GLN A 101 -6.476 0.853 8.366 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -6.615 0.825 9.588 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -7.031 -0.064 7.623 1.00 0.00 N ATOM 0 H GLN A 101 -2.231 0.195 6.139 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.319 1.331 8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -4.081 2.121 6.234 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.946 0.598 6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -5.232 2.608 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.303 2.578 7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.915 -0.039 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.582 -0.806 8.055 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.165 -0.787 9.513 1.00 0.00 N ATOM 1584 CA GLU A 102 -4.673 -2.011 10.113 1.00 0.00 C ATOM 1585 C GLU A 102 -5.630 -1.657 11.248 1.00 0.00 C ATOM 1586 O GLU A 102 -5.281 -0.870 12.136 1.00 0.00 O ATOM 1587 CB GLU A 102 -3.510 -2.868 10.648 1.00 0.00 C ATOM 1588 CG GLU A 102 -4.028 -4.242 11.115 1.00 0.00 C ATOM 1589 CD GLU A 102 -4.598 -5.034 9.938 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -5.783 -4.904 9.680 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -3.841 -5.760 9.315 1.00 0.00 O ATOM 0 H GLU A 102 -4.003 -0.035 10.183 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.205 -2.588 9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.759 -3.001 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.023 -2.355 11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.217 -4.803 11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.797 -4.107 11.875 1.00 0.00 H new ATOM 1598 N GLY A 103 -6.842 -2.217 11.198 1.00 0.00 N ATOM 1599 CA GLY A 103 -7.859 -1.931 12.211 1.00 0.00 C ATOM 1600 C GLY A 103 -8.168 -0.435 12.258 1.00 0.00 C ATOM 1601 O GLY A 103 -8.416 0.187 11.220 1.00 0.00 O ATOM 0 H GLY A 103 -7.141 -2.867 10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.769 -2.489 11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.511 -2.267 13.188 1.00 0.00 H new ATOM 1605 N ASP A 104 -8.157 0.133 13.469 1.00 0.00 N ATOM 1606 CA ASP A 104 -8.438 1.566 13.659 1.00 0.00 C ATOM 1607 C ASP A 104 -7.153 2.395 13.900 1.00 0.00 C ATOM 1608 O ASP A 104 -7.235 3.579 14.238 1.00 0.00 O ATOM 1609 CB ASP A 104 -9.404 1.760 14.830 1.00 0.00 C ATOM 1610 CG ASP A 104 -10.696 0.994 14.575 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -10.773 -0.153 14.985 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -11.592 1.565 13.974 1.00 0.00 O ATOM 0 H ASP A 104 -7.958 -0.373 14.332 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.892 1.928 12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.942 1.412 15.754 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.620 2.820 14.961 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.976 1.757 13.754 1.00 0.00 N ATOM 1618 CA TYR A 105 -4.691 2.435 13.990 1.00 0.00 C ATOM 1619 C TYR A 105 -3.748 2.246 12.788 1.00 0.00 C ATOM 1620 O TYR A 105 -3.676 1.156 12.211 1.00 0.00 O ATOM 1621 CB TYR A 105 -4.043 1.882 15.277 1.00 0.00 C ATOM 1622 CG TYR A 105 -2.764 2.638 15.598 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -2.829 3.879 16.241 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -1.522 2.093 15.253 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -1.651 4.575 16.540 1.00 0.00 C ATOM 1626 CE2 TYR A 105 -0.346 2.790 15.551 1.00 0.00 C ATOM 1627 CZ TYR A 105 -0.410 4.030 16.194 1.00 0.00 C ATOM 1628 OH TYR A 105 0.751 4.714 16.491 1.00 0.00 O ATOM 0 H TYR A 105 -5.890 0.779 13.476 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.872 3.503 14.112 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.742 1.969 16.109 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.824 0.821 15.154 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.787 4.300 16.507 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.471 1.135 14.757 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.701 5.532 17.038 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.612 2.370 15.284 1.00 0.00 H new ATOM 0 HH TYR A 105 1.524 4.196 16.184 1.00 0.00 H new ATOM 1638 N TRP A 106 -3.037 3.325 12.415 1.00 0.00 N ATOM 1639 CA TRP A 106 -2.107 3.284 11.277 1.00 0.00 C ATOM 1640 C TRP A 106 -0.900 4.207 11.513 1.00 0.00 C ATOM 1641 O TRP A 106 -0.956 5.112 12.352 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.838 3.680 9.969 1.00 0.00 C ATOM 1643 CG TRP A 106 -3.372 5.083 10.069 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -2.706 6.190 9.677 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -4.652 5.538 10.595 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -3.499 7.298 9.921 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -4.708 6.947 10.490 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -5.761 4.869 11.145 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -5.820 7.670 10.915 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -6.886 5.596 11.576 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -6.914 6.994 11.461 1.00 0.00 C ATOM 0 H TRP A 106 -3.089 4.230 12.883 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.738 2.263 11.180 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -2.152 3.605 9.125 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.656 2.986 9.778 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -1.717 6.208 9.244 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -3.224 8.257 9.707 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -5.749 3.793 11.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.836 8.746 10.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -7.733 5.075 11.998 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -7.780 7.547 11.794 1.00 0.00 H new ATOM 1662 N ARG A 107 0.179 3.969 10.759 1.00 0.00 N ATOM 1663 CA ARG A 107 1.402 4.778 10.871 1.00 0.00 C ATOM 1664 C ARG A 107 2.092 4.881 9.516 1.00 0.00 C ATOM 1665 O ARG A 107 2.002 3.956 8.700 1.00 0.00 O ATOM 1666 CB ARG A 107 2.356 4.165 11.901 1.00 0.00 C ATOM 1667 CG ARG A 107 3.486 5.155 12.209 1.00 0.00 C ATOM 1668 CD ARG A 107 4.430 4.550 13.248 1.00 0.00 C ATOM 1669 NE ARG A 107 5.457 5.534 13.645 1.00 0.00 N ATOM 1670 CZ ARG A 107 6.583 5.768 12.922 1.00 0.00 C ATOM 1671 NH1 ARG A 107 6.821 5.126 11.794 1.00 0.00 N ATOM 1672 NH2 ARG A 107 7.449 6.644 13.353 1.00 0.00 N ATOM 0 H ARG A 107 0.232 3.224 10.065 1.00 0.00 H new ATOM 0 HA ARG A 107 1.126 5.779 11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.813 3.921 12.814 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.770 3.232 11.518 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.035 5.390 11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.071 6.091 12.582 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.863 4.233 14.123 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.909 3.660 12.839 1.00 0.00 H new ATOM 0 HE ARG A 107 5.314 6.064 14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.153 4.438 11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.673 5.318 11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.277 7.145 14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.298 6.828 12.818 1.00 0.00 H new ATOM 1686 N GLU A 108 2.762 6.024 9.261 1.00 0.00 N ATOM 1687 CA GLU A 108 3.434 6.235 7.970 1.00 0.00 C ATOM 1688 C GLU A 108 4.821 6.872 8.119 1.00 0.00 C ATOM 1689 O GLU A 108 5.072 7.651 9.041 1.00 0.00 O ATOM 1690 CB GLU A 108 2.556 7.090 7.036 1.00 0.00 C ATOM 1691 CG GLU A 108 2.274 8.468 7.677 1.00 0.00 C ATOM 1692 CD GLU A 108 1.375 9.327 6.767 1.00 0.00 C ATOM 1693 OE1 GLU A 108 0.600 8.761 6.003 1.00 0.00 O ATOM 1694 OE2 GLU A 108 1.481 10.542 6.850 1.00 0.00 O ATOM 0 H GLU A 108 2.849 6.798 9.919 1.00 0.00 H new ATOM 0 HA GLU A 108 3.580 5.249 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.056 7.223 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.616 6.575 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.792 8.331 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.215 8.987 7.860 1.00 0.00 H new ATOM 1701 N THR A 109 5.707 6.528 7.176 1.00 0.00 N ATOM 1702 CA THR A 109 7.077 7.049 7.142 1.00 0.00 C ATOM 1703 C THR A 109 7.452 7.436 5.701 1.00 0.00 C ATOM 1704 O THR A 109 7.006 6.790 4.746 1.00 0.00 O ATOM 1705 CB THR A 109 8.056 6.002 7.703 1.00 0.00 C ATOM 1706 OG1 THR A 109 7.653 5.662 9.022 1.00 0.00 O ATOM 1707 CG2 THR A 109 9.481 6.573 7.746 1.00 0.00 C ATOM 0 H THR A 109 5.494 5.881 6.417 1.00 0.00 H new ATOM 0 HA THR A 109 7.139 7.940 7.766 1.00 0.00 H new ATOM 0 HB THR A 109 8.047 5.121 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.108 4.840 9.301 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.162 5.821 8.145 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.793 6.848 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.500 7.456 8.385 1.00 0.00 H new ATOM 1715 N SER A 110 8.213 8.531 5.554 1.00 0.00 N ATOM 1716 CA SER A 110 8.573 9.044 4.227 1.00 0.00 C ATOM 1717 C SER A 110 9.750 8.283 3.598 1.00 0.00 C ATOM 1718 O SER A 110 10.534 7.631 4.287 1.00 0.00 O ATOM 1719 CB SER A 110 8.917 10.530 4.319 1.00 0.00 C ATOM 1720 OG SER A 110 10.135 10.687 5.038 1.00 0.00 O ATOM 0 H SER A 110 8.588 9.074 6.332 1.00 0.00 H new ATOM 0 HA SER A 110 7.707 8.896 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.014 10.955 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.114 11.071 4.819 1.00 0.00 H new ATOM 0 HG SER A 110 10.359 11.639 5.097 1.00 0.00 H new ATOM 1726 N VAL A 111 9.847 8.394 2.268 1.00 0.00 N ATOM 1727 CA VAL A 111 10.906 7.746 1.475 1.00 0.00 C ATOM 1728 C VAL A 111 11.455 8.758 0.456 1.00 0.00 C ATOM 1729 O VAL A 111 10.744 9.695 0.069 1.00 0.00 O ATOM 1730 CB VAL A 111 10.353 6.498 0.752 1.00 0.00 C ATOM 1731 CG1 VAL A 111 11.467 5.803 -0.053 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.778 5.508 1.777 1.00 0.00 C ATOM 0 H VAL A 111 9.192 8.938 1.706 1.00 0.00 H new ATOM 0 HA VAL A 111 11.710 7.422 2.136 1.00 0.00 H new ATOM 0 HB VAL A 111 9.565 6.818 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.060 4.926 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.865 6.495 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.266 5.496 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.390 4.631 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.563 5.203 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.972 5.987 2.333 1.00 0.00 H new ATOM 1742 N LEU A 112 12.736 8.607 0.078 1.00 0.00 N ATOM 1743 CA LEU A 112 13.383 9.570 -0.828 1.00 0.00 C ATOM 1744 C LEU A 112 13.224 9.193 -2.311 1.00 0.00 C ATOM 1745 O LEU A 112 13.630 8.108 -2.735 1.00 0.00 O ATOM 1746 CB LEU A 112 14.885 9.678 -0.492 1.00 0.00 C ATOM 1747 CG LEU A 112 15.090 10.176 0.955 1.00 0.00 C ATOM 1748 CD1 LEU A 112 16.573 10.068 1.316 1.00 0.00 C ATOM 1749 CD2 LEU A 112 14.657 11.649 1.076 1.00 0.00 C ATOM 0 H LEU A 112 13.336 7.839 0.381 1.00 0.00 H new ATOM 0 HA LEU A 112 12.886 10.528 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.361 8.705 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.370 10.362 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 112 14.489 9.566 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 112 16.725 10.418 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 112 16.892 9.029 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 112 17.160 10.680 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.806 11.989 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 112 15.255 12.261 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.603 11.741 0.813 1.00 0.00 H new ATOM 1761 N LEU A 113 12.713 10.151 -3.109 1.00 0.00 N ATOM 1762 CA LEU A 113 12.616 9.987 -4.571 1.00 0.00 C ATOM 1763 C LEU A 113 13.152 11.253 -5.236 1.00 0.00 C ATOM 1764 O LEU A 113 12.643 12.349 -4.970 1.00 0.00 O ATOM 1765 CB LEU A 113 11.152 9.785 -5.037 1.00 0.00 C ATOM 1766 CG LEU A 113 10.425 8.696 -4.229 1.00 0.00 C ATOM 1767 CD1 LEU A 113 8.956 8.668 -4.676 1.00 0.00 C ATOM 1768 CD2 LEU A 113 11.059 7.315 -4.503 1.00 0.00 C ATOM 0 H LEU A 113 12.362 11.045 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 113 13.192 9.104 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.610 10.726 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.143 9.517 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 113 10.504 8.915 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.420 7.902 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.500 9.640 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.904 8.442 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.536 6.553 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.980 7.083 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.109 7.333 -4.212 1.00 0.00 H new ATOM 1780 N GLN A 114 14.151 11.109 -6.111 1.00 0.00 N ATOM 1781 CA GLN A 114 14.712 12.272 -6.824 1.00 0.00 C ATOM 1782 C GLN A 114 14.728 12.016 -8.317 1.00 0.00 C ATOM 1783 O GLN A 114 15.582 11.294 -8.818 1.00 0.00 O ATOM 1784 CB GLN A 114 16.132 12.577 -6.311 1.00 0.00 C ATOM 1785 CG GLN A 114 16.466 14.087 -6.478 1.00 0.00 C ATOM 1786 CD GLN A 114 15.459 15.002 -5.720 1.00 0.00 C ATOM 1787 OE1 GLN A 114 15.358 16.190 -6.032 1.00 0.00 O ATOM 1788 NE2 GLN A 114 14.700 14.518 -4.755 1.00 0.00 N ATOM 0 H GLN A 114 14.586 10.216 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 114 14.081 13.140 -6.631 1.00 0.00 H new ATOM 0 HB2 GLN A 114 16.213 12.296 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 114 16.858 11.976 -6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 114 17.474 14.277 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 114 16.460 14.343 -7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.777 13.536 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.037 15.126 -4.274 1.00 0.00 H new ATOM 1797 N VAL A 115 13.748 12.592 -9.015 1.00 0.00 N ATOM 1798 CA VAL A 115 13.601 12.384 -10.460 1.00 0.00 C ATOM 1799 C VAL A 115 14.514 13.313 -11.263 1.00 0.00 C ATOM 1800 O VAL A 115 14.583 14.517 -10.996 1.00 0.00 O ATOM 1801 CB VAL A 115 12.121 12.575 -10.883 1.00 0.00 C ATOM 1802 CG1 VAL A 115 11.231 11.594 -10.105 1.00 0.00 C ATOM 1803 CG2 VAL A 115 11.668 14.013 -10.589 1.00 0.00 C ATOM 0 H VAL A 115 13.044 13.206 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 115 13.903 11.360 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 115 12.033 12.383 -11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.192 11.730 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.540 10.572 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.329 11.783 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.628 14.135 -10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.763 14.213 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 115 12.292 14.712 -11.146 1.00 0.00 H new ATOM 1813 N ALA A 116 15.197 12.739 -12.259 1.00 0.00 N ATOM 1814 CA ALA A 116 16.090 13.500 -13.125 1.00 0.00 C ATOM 1815 C ALA A 116 15.287 14.412 -14.052 1.00 0.00 C ATOM 1816 O ALA A 116 14.203 14.038 -14.516 1.00 0.00 O ATOM 1817 CB ALA A 116 16.960 12.546 -13.949 1.00 0.00 C ATOM 0 H ALA A 116 15.145 11.745 -12.482 1.00 0.00 H new ATOM 0 HA ALA A 116 16.735 14.120 -12.502 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.624 13.123 -14.593 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.554 11.925 -13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.322 11.910 -14.563 1.00 0.00 H new ATOM 1823 N ALA A 117 15.827 15.606 -14.319 1.00 0.00 N ATOM 1824 CA ALA A 117 15.161 16.575 -15.193 1.00 0.00 C ATOM 1825 C ALA A 117 15.538 16.339 -16.652 1.00 0.00 C ATOM 1826 O ALA A 117 14.634 16.175 -17.457 1.00 0.00 O ATOM 1827 CB ALA A 117 15.536 18.002 -14.785 1.00 0.00 C ATOM 1828 OXT ALA A 117 16.722 16.325 -16.943 1.00 0.00 O ATOM 0 H ALA A 117 16.721 15.923 -13.943 1.00 0.00 H new ATOM 0 HA ALA A 117 14.084 16.443 -15.087 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.034 18.712 -15.442 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.226 18.179 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.615 18.132 -14.866 1.00 0.00 H new