USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot -29:sc= 1 USER MOD Set 1.2: A 82 THR OG1 : rot 81:sc= -0.927! USER MOD Set 2.1: A 68 ASN : amide:sc= -2.73 K(o=-6.1,f=-2.9) USER MOD Set 2.2: A 78 MET CE :methyl -174:sc= -3.4! (180deg=-1.93!) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.345 K(o=-6.6,f=-5) USER MOD Set 3.2: A 21 GLN : amide:sc= -6.23! C(o=-6.6!,f=-5!) USER MOD Single : A 9 GLN : amide:sc= -0.762 K(o=-0.76,f=-5.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -165:sc= -0.598 USER MOD Single : A 22 SER OG : rot -72:sc= 0.464 USER MOD Single : A 24 MET CE :methyl 139:sc= -3.07! (180deg=-6.17!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 30 ASN : amide:sc= -32.1! C(o=-32!,f=-32!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 8:sc= 0.265 USER MOD Single : A 47 THR OG1 : rot -154:sc= 0.14 USER MOD Single : A 64 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.21) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -88:sc= 0.0212 USER MOD Single : A 74 THR OG1 : rot -60:sc= 0.895 USER MOD Single : A 85 SER OG : rot 148:sc= -2.63! USER MOD Single : A 87 GLN : amide:sc= -0.894 K(o=-0.89,f=-2!) USER MOD Single : A 93 SER OG : rot -91:sc= 0.839 USER MOD Single : A 94 MET CE :methyl 173:sc= -2.41! (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.966 14.007 -4.906 1.00 0.00 N ATOM 2 CA PRO A 1 4.493 14.042 -3.509 1.00 0.00 C ATOM 3 C PRO A 1 5.763 13.249 -3.335 1.00 0.00 C ATOM 4 O PRO A 1 6.428 12.863 -4.295 1.00 0.00 O ATOM 5 CB PRO A 1 3.427 13.418 -2.635 1.00 0.00 C ATOM 6 CG PRO A 1 2.209 13.608 -3.426 1.00 0.00 C ATOM 7 CD PRO A 1 2.657 13.319 -4.828 1.00 0.00 C ATOM 0 H2 PRO A 1 4.605 13.508 -5.525 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.862 14.950 -5.281 1.00 0.00 H new ATOM 0 HA PRO A 1 4.724 15.075 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.626 12.363 -2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.360 13.910 -1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.415 12.931 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.821 14.622 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.752 12.248 -5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.953 13.706 -5.565 1.00 0.00 H new ATOM 17 N ARG A 2 6.045 12.974 -2.074 1.00 0.00 N ATOM 18 CA ARG A 2 7.199 12.170 -1.688 1.00 0.00 C ATOM 19 C ARG A 2 6.674 10.908 -1.038 1.00 0.00 C ATOM 20 O ARG A 2 5.497 10.857 -0.686 1.00 0.00 O ATOM 21 CB ARG A 2 8.106 12.926 -0.715 1.00 0.00 C ATOM 22 CG ARG A 2 9.004 12.006 0.096 1.00 0.00 C ATOM 23 CD ARG A 2 10.145 12.761 0.746 1.00 0.00 C ATOM 24 NE ARG A 2 11.093 11.858 1.397 1.00 0.00 N ATOM 25 CZ ARG A 2 11.796 12.173 2.481 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.673 13.371 3.036 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.629 11.287 3.012 1.00 0.00 N ATOM 0 H ARG A 2 5.484 13.300 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 2 7.798 11.937 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.724 13.628 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.490 13.515 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.414 11.507 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.406 11.227 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.665 13.352 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.746 13.460 1.481 1.00 0.00 H new ATOM 0 HE ARG A 2 11.223 10.930 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.036 14.057 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.215 13.606 3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.730 10.364 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.168 11.528 3.843 1.00 0.00 H new ATOM 41 N VAL A 3 7.487 9.874 -0.887 1.00 0.00 N ATOM 42 CA VAL A 3 6.959 8.678 -0.297 1.00 0.00 C ATOM 43 C VAL A 3 8.037 7.762 0.238 1.00 0.00 C ATOM 44 O VAL A 3 9.220 7.920 -0.044 1.00 0.00 O ATOM 45 CB VAL A 3 6.063 7.981 -1.337 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.147 6.491 -1.327 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.644 8.350 -1.114 1.00 0.00 C ATOM 0 H VAL A 3 8.471 9.845 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 3 6.365 8.946 0.577 1.00 0.00 H new ATOM 0 HB VAL A 3 6.433 8.325 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.484 6.084 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.172 6.183 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.847 6.116 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.018 7.852 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.340 8.040 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.530 9.430 -1.209 1.00 0.00 H new ATOM 57 N VAL A 4 7.612 6.795 1.022 1.00 0.00 N ATOM 58 CA VAL A 4 8.550 5.849 1.590 1.00 0.00 C ATOM 59 C VAL A 4 7.920 4.498 1.805 1.00 0.00 C ATOM 60 O VAL A 4 7.089 4.308 2.680 1.00 0.00 O ATOM 61 CB VAL A 4 9.186 6.355 2.895 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.806 5.203 3.677 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.231 7.402 2.572 1.00 0.00 C ATOM 0 H VAL A 4 6.637 6.643 1.279 1.00 0.00 H new ATOM 0 HA VAL A 4 9.349 5.745 0.856 1.00 0.00 H new ATOM 0 HB VAL A 4 8.411 6.801 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.250 5.585 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.035 4.473 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.577 4.726 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.683 7.762 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.002 6.963 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.762 8.235 2.049 1.00 0.00 H new ATOM 73 N PHE A 5 8.360 3.568 0.992 1.00 0.00 N ATOM 74 CA PHE A 5 7.889 2.199 1.039 1.00 0.00 C ATOM 75 C PHE A 5 8.768 1.370 1.963 1.00 0.00 C ATOM 76 O PHE A 5 9.802 1.833 2.441 1.00 0.00 O ATOM 77 CB PHE A 5 7.973 1.587 -0.343 1.00 0.00 C ATOM 78 CG PHE A 5 6.920 2.010 -1.319 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.337 3.281 -1.303 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.538 1.120 -2.300 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.397 3.624 -2.254 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.611 1.454 -3.244 1.00 0.00 C ATOM 83 CZ PHE A 5 5.037 2.709 -3.232 1.00 0.00 C ATOM 0 H PHE A 5 9.062 3.739 0.271 1.00 0.00 H new ATOM 0 HA PHE A 5 6.861 2.203 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.948 1.828 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.929 0.503 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.623 3.996 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.983 0.136 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.943 4.604 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.327 0.737 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.309 2.978 -3.983 1.00 0.00 H new ATOM 93 N ILE A 6 8.350 0.135 2.187 1.00 0.00 N ATOM 94 CA ILE A 6 9.067 -0.791 3.023 1.00 0.00 C ATOM 95 C ILE A 6 8.758 -2.217 2.595 1.00 0.00 C ATOM 96 O ILE A 6 7.756 -2.458 1.925 1.00 0.00 O ATOM 97 CB ILE A 6 8.682 -0.620 4.490 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.231 0.810 4.762 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.864 -0.976 5.345 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.372 1.780 4.954 1.00 0.00 C ATOM 0 H ILE A 6 7.494 -0.249 1.786 1.00 0.00 H new ATOM 0 HA ILE A 6 10.132 -0.587 2.913 1.00 0.00 H new ATOM 0 HB ILE A 6 7.849 -1.281 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.612 1.151 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.603 0.820 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.601 -0.858 6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.151 -2.011 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.699 -0.318 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.974 2.777 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.979 1.464 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.988 1.800 4.055 1.00 0.00 H new ATOM 112 N ASP A 7 9.603 -3.166 2.977 1.00 0.00 N ATOM 113 CA ASP A 7 9.368 -4.554 2.614 1.00 0.00 C ATOM 114 C ASP A 7 10.314 -5.498 3.338 1.00 0.00 C ATOM 115 O ASP A 7 11.245 -5.076 4.016 1.00 0.00 O ATOM 116 CB ASP A 7 9.488 -4.742 1.103 1.00 0.00 C ATOM 117 CG ASP A 7 8.763 -5.980 0.613 1.00 0.00 C ATOM 118 OD1 ASP A 7 7.551 -6.106 0.890 1.00 0.00 O ATOM 119 OD2 ASP A 7 9.406 -6.822 -0.048 1.00 0.00 O ATOM 0 H ASP A 7 10.445 -3.002 3.530 1.00 0.00 H new ATOM 0 HA ASP A 7 8.353 -4.802 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.084 -3.865 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.541 -4.810 0.831 1.00 0.00 H new ATOM 124 N GLU A 8 10.048 -6.781 3.190 1.00 0.00 N ATOM 125 CA GLU A 8 10.853 -7.819 3.828 1.00 0.00 C ATOM 126 C GLU A 8 12.129 -8.100 3.030 1.00 0.00 C ATOM 127 O GLU A 8 13.049 -8.750 3.530 1.00 0.00 O ATOM 128 CB GLU A 8 10.016 -9.098 3.990 1.00 0.00 C ATOM 129 CG GLU A 8 10.769 -10.394 3.710 1.00 0.00 C ATOM 130 CD GLU A 8 11.718 -10.772 4.830 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.874 -9.969 5.774 1.00 0.00 O ATOM 132 OE2 GLU A 8 12.305 -11.873 4.765 1.00 0.00 O ATOM 0 H GLU A 8 9.274 -7.138 2.629 1.00 0.00 H new ATOM 0 HA GLU A 8 11.156 -7.467 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.625 -9.134 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.158 -9.041 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.052 -11.201 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.331 -10.290 2.782 1.00 0.00 H new ATOM 139 N GLN A 9 12.178 -7.618 1.793 1.00 0.00 N ATOM 140 CA GLN A 9 13.343 -7.833 0.939 1.00 0.00 C ATOM 141 C GLN A 9 14.367 -6.713 1.105 1.00 0.00 C ATOM 142 O GLN A 9 15.362 -6.659 0.383 1.00 0.00 O ATOM 143 CB GLN A 9 12.915 -7.933 -0.526 1.00 0.00 C ATOM 144 CG GLN A 9 11.697 -8.814 -0.745 1.00 0.00 C ATOM 145 CD GLN A 9 11.810 -9.666 -1.992 1.00 0.00 C ATOM 146 OE1 GLN A 9 11.625 -9.181 -3.108 1.00 0.00 O ATOM 147 NE2 GLN A 9 12.116 -10.946 -1.809 1.00 0.00 N ATOM 0 H GLN A 9 11.429 -7.078 1.360 1.00 0.00 H new ATOM 0 HA GLN A 9 13.810 -8.770 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.702 -6.933 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 9 13.746 -8.324 -1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.561 -9.461 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.808 -8.187 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.261 -11.306 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.206 -11.569 -2.612 1.00 0.00 H new ATOM 156 N SER A 10 14.119 -5.825 2.060 1.00 0.00 N ATOM 157 CA SER A 10 15.023 -4.709 2.319 1.00 0.00 C ATOM 158 C SER A 10 14.642 -3.975 3.600 1.00 0.00 C ATOM 159 O SER A 10 15.504 -3.446 4.303 1.00 0.00 O ATOM 160 CB SER A 10 15.018 -3.732 1.143 1.00 0.00 C ATOM 161 OG SER A 10 16.056 -2.775 1.270 1.00 0.00 O ATOM 0 H SER A 10 13.300 -5.855 2.668 1.00 0.00 H new ATOM 0 HA SER A 10 16.026 -5.118 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.138 -4.281 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.055 -3.224 1.092 1.00 0.00 H new ATOM 0 HG SER A 10 16.032 -2.163 0.505 1.00 0.00 H new ATOM 167 N GLY A 11 13.346 -3.945 3.899 1.00 0.00 N ATOM 168 CA GLY A 11 12.878 -3.272 5.095 1.00 0.00 C ATOM 169 C GLY A 11 12.751 -1.778 4.909 1.00 0.00 C ATOM 170 O GLY A 11 12.708 -1.022 5.879 1.00 0.00 O ATOM 0 H GLY A 11 12.613 -4.375 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.910 -3.682 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.567 -3.475 5.915 1.00 0.00 H new ATOM 174 N GLU A 12 12.678 -1.357 3.657 1.00 0.00 N ATOM 175 CA GLU A 12 12.540 0.056 3.332 1.00 0.00 C ATOM 176 C GLU A 12 12.683 0.298 1.840 1.00 0.00 C ATOM 177 O GLU A 12 13.495 -0.333 1.164 1.00 0.00 O ATOM 178 CB GLU A 12 13.572 0.894 4.082 1.00 0.00 C ATOM 179 CG GLU A 12 13.842 2.238 3.424 1.00 0.00 C ATOM 180 CD GLU A 12 14.829 3.083 4.204 1.00 0.00 C ATOM 181 OE1 GLU A 12 14.391 3.814 5.118 1.00 0.00 O ATOM 182 OE2 GLU A 12 16.039 3.011 3.905 1.00 0.00 O ATOM 0 H GLU A 12 12.712 -1.974 2.846 1.00 0.00 H new ATOM 0 HA GLU A 12 11.540 0.359 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.225 1.059 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.505 0.335 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.226 2.074 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.904 2.783 3.322 1.00 0.00 H new ATOM 189 N TYR A 13 11.881 1.223 1.346 1.00 0.00 N ATOM 190 CA TYR A 13 11.886 1.578 -0.058 1.00 0.00 C ATOM 191 C TYR A 13 11.460 3.027 -0.258 1.00 0.00 C ATOM 192 O TYR A 13 10.441 3.305 -0.891 1.00 0.00 O ATOM 193 CB TYR A 13 10.958 0.640 -0.799 1.00 0.00 C ATOM 194 CG TYR A 13 11.531 -0.731 -0.951 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.539 -1.613 0.122 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.060 -1.146 -2.159 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.062 -2.889 -0.010 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.584 -2.410 -2.309 1.00 0.00 C ATOM 199 CZ TYR A 13 12.582 -3.285 -1.232 1.00 0.00 C ATOM 200 OH TYR A 13 13.105 -4.550 -1.378 1.00 0.00 O ATOM 0 H TYR A 13 11.210 1.748 1.907 1.00 0.00 H new ATOM 0 HA TYR A 13 12.898 1.481 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.009 0.577 -0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.743 1.051 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.132 -1.300 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.062 -0.467 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.064 -3.568 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.994 -2.719 -3.259 1.00 0.00 H new ATOM 0 HH TYR A 13 13.639 -4.591 -2.199 1.00 0.00 H new ATOM 210 N ALA A 14 12.249 3.945 0.287 1.00 0.00 N ATOM 211 CA ALA A 14 11.958 5.371 0.174 1.00 0.00 C ATOM 212 C ALA A 14 11.685 5.754 -1.268 1.00 0.00 C ATOM 213 O ALA A 14 12.353 5.276 -2.186 1.00 0.00 O ATOM 214 CB ALA A 14 13.105 6.195 0.739 1.00 0.00 C ATOM 0 H ALA A 14 13.096 3.728 0.812 1.00 0.00 H new ATOM 0 HA ALA A 14 11.061 5.583 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.871 7.256 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.249 5.945 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.018 5.975 0.186 1.00 0.00 H new ATOM 220 N VAL A 15 10.685 6.603 -1.468 1.00 0.00 N ATOM 221 CA VAL A 15 10.317 7.022 -2.805 1.00 0.00 C ATOM 222 C VAL A 15 9.487 8.289 -2.796 1.00 0.00 C ATOM 223 O VAL A 15 9.561 9.108 -1.884 1.00 0.00 O ATOM 224 CB VAL A 15 9.578 5.873 -3.527 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.120 5.731 -3.095 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.685 6.014 -5.036 1.00 0.00 C ATOM 0 H VAL A 15 10.120 7.010 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 15 11.231 7.254 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 15 10.080 4.953 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.658 4.907 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.076 5.530 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.584 6.655 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.156 5.191 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.242 6.961 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.734 5.991 -5.330 1.00 0.00 H new ATOM 236 N ASP A 16 8.724 8.448 -3.837 1.00 0.00 N ATOM 237 CA ASP A 16 7.878 9.584 -4.015 1.00 0.00 C ATOM 238 C ASP A 16 6.790 9.217 -4.972 1.00 0.00 C ATOM 239 O ASP A 16 6.879 8.219 -5.679 1.00 0.00 O ATOM 240 CB ASP A 16 8.637 10.739 -4.608 1.00 0.00 C ATOM 241 CG ASP A 16 10.051 10.858 -4.075 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.919 10.073 -4.512 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.291 11.736 -3.220 1.00 0.00 O ATOM 0 H ASP A 16 8.674 7.775 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 16 7.483 9.876 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.672 10.625 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.098 11.664 -4.402 1.00 0.00 H new ATOM 248 N ALA A 17 5.767 10.011 -4.990 1.00 0.00 N ATOM 249 CA ALA A 17 4.661 9.744 -5.858 1.00 0.00 C ATOM 250 C ALA A 17 4.053 11.020 -6.409 1.00 0.00 C ATOM 251 O ALA A 17 4.599 12.109 -6.248 1.00 0.00 O ATOM 252 CB ALA A 17 3.667 8.953 -5.068 1.00 0.00 C ATOM 0 H ALA A 17 5.673 10.848 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 17 4.992 9.180 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.803 8.726 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.126 8.023 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.346 9.533 -4.202 1.00 0.00 H new ATOM 258 N GLN A 18 2.917 10.866 -7.063 1.00 0.00 N ATOM 259 CA GLN A 18 2.207 11.992 -7.652 1.00 0.00 C ATOM 260 C GLN A 18 0.704 11.787 -7.527 1.00 0.00 C ATOM 261 O GLN A 18 0.185 10.736 -7.905 1.00 0.00 O ATOM 262 CB GLN A 18 2.592 12.153 -9.124 1.00 0.00 C ATOM 263 CG GLN A 18 4.094 12.172 -9.361 1.00 0.00 C ATOM 264 CD GLN A 18 4.456 12.597 -10.770 1.00 0.00 C ATOM 265 OE1 GLN A 18 5.445 13.296 -10.987 1.00 0.00 O ATOM 266 NE2 GLN A 18 3.651 12.175 -11.739 1.00 0.00 N ATOM 0 H GLN A 18 2.461 9.964 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 18 2.487 12.898 -7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.152 11.337 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.161 13.079 -9.505 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.562 12.852 -8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.501 11.179 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.841 11.597 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.843 12.429 -12.708 1.00 0.00 H new ATOM 275 N ASP A 19 0.008 12.789 -6.993 1.00 0.00 N ATOM 276 CA ASP A 19 -1.438 12.701 -6.824 1.00 0.00 C ATOM 277 C ASP A 19 -2.059 11.919 -7.968 1.00 0.00 C ATOM 278 O ASP A 19 -2.128 12.393 -9.102 1.00 0.00 O ATOM 279 CB ASP A 19 -2.054 14.094 -6.717 1.00 0.00 C ATOM 280 CG ASP A 19 -1.452 14.905 -5.587 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.750 14.314 -4.739 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.682 16.132 -5.550 1.00 0.00 O ATOM 0 H ASP A 19 0.420 13.665 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.646 12.169 -5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.911 14.625 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.129 14.002 -6.563 1.00 0.00 H new ATOM 287 N GLY A 20 -2.486 10.704 -7.657 1.00 0.00 N ATOM 288 CA GLY A 20 -3.075 9.844 -8.656 1.00 0.00 C ATOM 289 C GLY A 20 -2.315 8.540 -8.802 1.00 0.00 C ATOM 290 O GLY A 20 -2.699 7.681 -9.595 1.00 0.00 O ATOM 0 H GLY A 20 -2.433 10.298 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.110 9.632 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.094 10.362 -9.615 1.00 0.00 H new ATOM 294 N GLN A 21 -1.240 8.376 -8.024 1.00 0.00 N ATOM 295 CA GLN A 21 -0.457 7.151 -8.080 1.00 0.00 C ATOM 296 C GLN A 21 -0.639 6.343 -6.800 1.00 0.00 C ATOM 297 O GLN A 21 -0.728 6.903 -5.708 1.00 0.00 O ATOM 298 CB GLN A 21 1.021 7.466 -8.295 1.00 0.00 C ATOM 299 CG GLN A 21 1.325 8.069 -9.656 1.00 0.00 C ATOM 300 CD GLN A 21 2.621 8.857 -9.678 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.885 9.612 -10.614 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.440 8.684 -8.649 1.00 0.00 N ATOM 0 H GLN A 21 -0.900 9.070 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.812 6.558 -8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.353 8.156 -7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.600 6.550 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.378 7.271 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.504 8.723 -9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.183 8.049 -7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.327 9.186 -8.613 1.00 0.00 H new ATOM 311 N SER A 22 -0.697 5.026 -6.943 1.00 0.00 N ATOM 312 CA SER A 22 -0.873 4.140 -5.800 1.00 0.00 C ATOM 313 C SER A 22 0.476 3.745 -5.212 1.00 0.00 C ATOM 314 O SER A 22 1.522 4.051 -5.783 1.00 0.00 O ATOM 315 CB SER A 22 -1.639 2.886 -6.224 1.00 0.00 C ATOM 316 OG SER A 22 -0.748 1.831 -6.542 1.00 0.00 O ATOM 0 H SER A 22 -0.625 4.547 -7.841 1.00 0.00 H new ATOM 0 HA SER A 22 -1.443 4.671 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.306 2.574 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.264 3.112 -7.088 1.00 0.00 H new ATOM 0 HG SER A 22 -0.301 2.026 -7.392 1.00 0.00 H new ATOM 322 N LEU A 23 0.451 3.049 -4.078 1.00 0.00 N ATOM 323 CA LEU A 23 1.693 2.606 -3.442 1.00 0.00 C ATOM 324 C LEU A 23 2.162 1.293 -4.050 1.00 0.00 C ATOM 325 O LEU A 23 3.105 0.671 -3.564 1.00 0.00 O ATOM 326 CB LEU A 23 1.515 2.445 -1.931 1.00 0.00 C ATOM 327 CG LEU A 23 1.412 3.752 -1.143 1.00 0.00 C ATOM 328 CD1 LEU A 23 2.275 4.832 -1.777 1.00 0.00 C ATOM 329 CD2 LEU A 23 -0.037 4.207 -1.052 1.00 0.00 C ATOM 0 H LEU A 23 -0.401 2.782 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 23 2.448 3.372 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.615 1.858 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.355 1.870 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 23 1.780 3.573 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.187 5.753 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.316 4.508 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.942 5.010 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.091 5.138 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.432 4.367 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.627 3.442 -0.547 1.00 0.00 H new ATOM 341 N MET A 24 1.512 0.893 -5.133 1.00 0.00 N ATOM 342 CA MET A 24 1.870 -0.328 -5.832 1.00 0.00 C ATOM 343 C MET A 24 2.613 0.036 -7.107 1.00 0.00 C ATOM 344 O MET A 24 3.433 -0.733 -7.610 1.00 0.00 O ATOM 345 CB MET A 24 0.620 -1.161 -6.145 1.00 0.00 C ATOM 346 CG MET A 24 0.063 -0.946 -7.545 1.00 0.00 C ATOM 347 SD MET A 24 0.835 -2.025 -8.766 1.00 0.00 S ATOM 348 CE MET A 24 -0.259 -1.797 -10.166 1.00 0.00 C ATOM 0 H MET A 24 0.730 1.401 -5.547 1.00 0.00 H new ATOM 0 HA MET A 24 2.516 -0.935 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.860 -2.217 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.155 -0.921 -5.417 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.012 -1.123 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.213 0.094 -7.837 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.330 -1.729 -11.081 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.942 -2.644 -10.236 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.832 -0.879 -10.034 1.00 0.00 H new ATOM 358 N GLU A 25 2.324 1.232 -7.612 1.00 0.00 N ATOM 359 CA GLU A 25 2.967 1.725 -8.816 1.00 0.00 C ATOM 360 C GLU A 25 4.271 2.399 -8.475 1.00 0.00 C ATOM 361 O GLU A 25 5.271 2.187 -9.160 1.00 0.00 O ATOM 362 CB GLU A 25 2.051 2.682 -9.581 1.00 0.00 C ATOM 363 CG GLU A 25 2.662 3.208 -10.871 1.00 0.00 C ATOM 364 CD GLU A 25 2.254 4.638 -11.170 1.00 0.00 C ATOM 365 OE1 GLU A 25 2.804 5.559 -10.530 1.00 0.00 O ATOM 366 OE2 GLU A 25 1.385 4.836 -12.046 1.00 0.00 O ATOM 0 H GLU A 25 1.647 1.875 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 25 3.172 0.872 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.117 2.170 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.801 3.525 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.748 3.151 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.360 2.567 -11.699 1.00 0.00 H new ATOM 373 N VAL A 26 4.300 3.180 -7.401 1.00 0.00 N ATOM 374 CA VAL A 26 5.555 3.794 -7.037 1.00 0.00 C ATOM 375 C VAL A 26 6.585 2.694 -6.969 1.00 0.00 C ATOM 376 O VAL A 26 7.605 2.709 -7.643 1.00 0.00 O ATOM 377 CB VAL A 26 5.566 4.517 -5.686 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.397 5.752 -5.829 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.203 4.885 -5.189 1.00 0.00 C ATOM 0 H VAL A 26 3.506 3.392 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 26 5.755 4.556 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 26 5.980 3.831 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.421 6.286 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.412 5.477 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.965 6.395 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.291 5.393 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.720 5.548 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.604 3.983 -5.069 1.00 0.00 H new ATOM 389 N ALA A 27 6.261 1.727 -6.136 1.00 0.00 N ATOM 390 CA ALA A 27 7.100 0.564 -5.916 1.00 0.00 C ATOM 391 C ALA A 27 7.941 0.226 -7.130 1.00 0.00 C ATOM 392 O ALA A 27 9.152 0.444 -7.147 1.00 0.00 O ATOM 393 CB ALA A 27 6.254 -0.651 -5.568 1.00 0.00 C ATOM 0 H ALA A 27 5.401 1.725 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 27 7.763 0.816 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.903 -1.512 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.685 -0.450 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.567 -0.863 -6.387 1.00 0.00 H new ATOM 399 N THR A 28 7.288 -0.334 -8.135 1.00 0.00 N ATOM 400 CA THR A 28 7.982 -0.734 -9.346 1.00 0.00 C ATOM 401 C THR A 28 8.871 0.399 -9.828 1.00 0.00 C ATOM 402 O THR A 28 9.937 0.165 -10.397 1.00 0.00 O ATOM 403 CB THR A 28 6.998 -1.145 -10.447 1.00 0.00 C ATOM 404 OG1 THR A 28 6.861 -0.113 -11.405 1.00 0.00 O ATOM 405 CG2 THR A 28 5.612 -1.491 -9.944 1.00 0.00 C ATOM 0 H THR A 28 6.285 -0.521 -8.136 1.00 0.00 H new ATOM 0 HA THR A 28 8.598 -1.603 -9.114 1.00 0.00 H new ATOM 0 HB THR A 28 7.431 -2.045 -10.884 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.231 -0.394 -12.101 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.979 -1.771 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.676 -2.325 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.182 -0.626 -9.438 1.00 0.00 H new ATOM 413 N GLN A 29 8.445 1.629 -9.571 1.00 0.00 N ATOM 414 CA GLN A 29 9.236 2.790 -9.958 1.00 0.00 C ATOM 415 C GLN A 29 10.401 2.974 -8.991 1.00 0.00 C ATOM 416 O GLN A 29 11.479 3.426 -9.378 1.00 0.00 O ATOM 417 CB GLN A 29 8.376 4.055 -10.022 1.00 0.00 C ATOM 418 CG GLN A 29 7.493 4.123 -11.257 1.00 0.00 C ATOM 419 CD GLN A 29 8.290 4.075 -12.546 1.00 0.00 C ATOM 420 OE1 GLN A 29 8.113 3.176 -13.367 1.00 0.00 O ATOM 421 NE2 GLN A 29 9.176 5.047 -12.728 1.00 0.00 N ATOM 0 H GLN A 29 7.566 1.847 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 29 9.633 2.615 -10.958 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.748 4.104 -9.132 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.027 4.929 -10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.786 3.293 -11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.907 5.042 -11.230 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.290 5.773 -12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.743 5.068 -13.576 1.00 0.00 H new ATOM 430 N ASN A 30 10.177 2.608 -7.734 1.00 0.00 N ATOM 431 CA ASN A 30 11.208 2.716 -6.700 1.00 0.00 C ATOM 432 C ASN A 30 12.057 1.447 -6.646 1.00 0.00 C ATOM 433 O ASN A 30 12.882 1.279 -5.747 1.00 0.00 O ATOM 434 CB ASN A 30 10.557 2.947 -5.333 1.00 0.00 C ATOM 435 CG ASN A 30 9.096 3.333 -5.458 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.729 4.076 -6.362 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.266 2.852 -4.546 1.00 0.00 N ATOM 0 H ASN A 30 9.289 2.232 -7.402 1.00 0.00 H new ATOM 0 HA ASN A 30 11.851 3.561 -6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.643 2.041 -4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.096 3.733 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.276 3.097 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.616 2.237 -3.812 1.00 0.00 H new ATOM 444 N GLY A 31 11.832 0.543 -7.598 1.00 0.00 N ATOM 445 CA GLY A 31 12.566 -0.710 -7.621 1.00 0.00 C ATOM 446 C GLY A 31 12.123 -1.627 -6.498 1.00 0.00 C ATOM 447 O GLY A 31 12.808 -2.589 -6.150 1.00 0.00 O ATOM 0 H GLY A 31 11.155 0.657 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.414 -1.206 -8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.634 -0.510 -7.531 1.00 0.00 H new ATOM 451 N VAL A 32 10.972 -1.299 -5.925 1.00 0.00 N ATOM 452 CA VAL A 32 10.392 -2.041 -4.819 1.00 0.00 C ATOM 453 C VAL A 32 9.859 -3.398 -5.230 1.00 0.00 C ATOM 454 O VAL A 32 9.265 -3.555 -6.297 1.00 0.00 O ATOM 455 CB VAL A 32 9.206 -1.262 -4.255 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.679 -1.861 -2.974 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.551 0.191 -4.054 1.00 0.00 C ATOM 0 H VAL A 32 10.410 -0.500 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 32 11.192 -2.178 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 32 8.411 -1.331 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.837 -1.269 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.351 -2.884 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.468 -1.863 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.686 0.718 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.384 0.274 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.833 0.633 -5.009 1.00 0.00 H new ATOM 467 N PRO A 33 10.019 -4.386 -4.347 1.00 0.00 N ATOM 468 CA PRO A 33 9.506 -5.727 -4.572 1.00 0.00 C ATOM 469 C PRO A 33 8.006 -5.675 -4.840 1.00 0.00 C ATOM 470 O PRO A 33 7.481 -4.652 -5.277 1.00 0.00 O ATOM 471 CB PRO A 33 9.807 -6.461 -3.249 1.00 0.00 C ATOM 472 CG PRO A 33 10.099 -5.385 -2.258 1.00 0.00 C ATOM 473 CD PRO A 33 10.676 -4.256 -3.045 1.00 0.00 C ATOM 0 HA PRO A 33 9.955 -6.222 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.957 -7.066 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.656 -7.136 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.193 -5.076 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.800 -5.732 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.464 -3.292 -2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.760 -4.337 -3.131 1.00 0.00 H new ATOM 481 N GLY A 34 7.320 -6.770 -4.570 1.00 0.00 N ATOM 482 CA GLY A 34 5.884 -6.827 -4.781 1.00 0.00 C ATOM 483 C GLY A 34 5.425 -6.124 -6.050 1.00 0.00 C ATOM 484 O GLY A 34 4.257 -5.749 -6.160 1.00 0.00 O ATOM 0 H GLY A 34 7.731 -7.629 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.573 -7.871 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.381 -6.377 -3.925 1.00 0.00 H new ATOM 488 N ILE A 35 6.329 -5.949 -7.014 1.00 0.00 N ATOM 489 CA ILE A 35 5.978 -5.294 -8.273 1.00 0.00 C ATOM 490 C ILE A 35 4.572 -5.701 -8.707 1.00 0.00 C ATOM 491 O ILE A 35 4.055 -6.724 -8.260 1.00 0.00 O ATOM 492 CB ILE A 35 6.969 -5.638 -9.410 1.00 0.00 C ATOM 493 CG1 ILE A 35 8.355 -5.976 -8.853 1.00 0.00 C ATOM 494 CG2 ILE A 35 7.071 -4.482 -10.393 1.00 0.00 C ATOM 495 CD1 ILE A 35 9.428 -6.058 -9.917 1.00 0.00 C ATOM 0 H ILE A 35 7.302 -6.249 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 35 6.024 -4.220 -8.092 1.00 0.00 H new ATOM 0 HB ILE A 35 6.587 -6.516 -9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.638 -5.220 -8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.304 -6.928 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.772 -4.740 -11.187 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.090 -4.284 -10.825 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.424 -3.592 -9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.384 -6.301 -9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.168 -6.833 -10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.507 -5.099 -10.429 1.00 0.00 H new ATOM 507 N VAL A 36 3.958 -4.891 -9.574 1.00 0.00 N ATOM 508 CA VAL A 36 2.607 -5.160 -10.069 1.00 0.00 C ATOM 509 C VAL A 36 2.280 -6.651 -10.043 1.00 0.00 C ATOM 510 O VAL A 36 3.055 -7.476 -10.525 1.00 0.00 O ATOM 511 CB VAL A 36 2.423 -4.632 -11.504 1.00 0.00 C ATOM 512 CG1 VAL A 36 3.075 -5.568 -12.511 1.00 0.00 C ATOM 513 CG2 VAL A 36 0.946 -4.446 -11.817 1.00 0.00 C ATOM 0 H VAL A 36 4.378 -4.040 -9.948 1.00 0.00 H new ATOM 0 HA VAL A 36 1.923 -4.638 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 36 2.914 -3.662 -11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.933 -5.175 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.141 -5.645 -12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.619 -6.555 -12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.834 -4.072 -12.835 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.431 -5.402 -11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.513 -3.730 -11.118 1.00 0.00 H new ATOM 523 N ALA A 37 1.128 -6.986 -9.469 1.00 0.00 N ATOM 524 CA ALA A 37 0.697 -8.376 -9.370 1.00 0.00 C ATOM 525 C ALA A 37 0.125 -8.878 -10.691 1.00 0.00 C ATOM 526 O ALA A 37 0.397 -8.313 -11.751 1.00 0.00 O ATOM 527 CB ALA A 37 -0.328 -8.531 -8.256 1.00 0.00 C ATOM 0 H ALA A 37 0.476 -6.313 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 37 1.572 -8.982 -9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.642 -9.573 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.116 -8.227 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.194 -7.904 -8.468 1.00 0.00 H new ATOM 533 N GLU A 38 -0.664 -9.944 -10.620 1.00 0.00 N ATOM 534 CA GLU A 38 -1.272 -10.527 -11.810 1.00 0.00 C ATOM 535 C GLU A 38 -2.315 -9.590 -12.411 1.00 0.00 C ATOM 536 O GLU A 38 -2.230 -9.225 -13.584 1.00 0.00 O ATOM 537 CB GLU A 38 -1.909 -11.877 -11.476 1.00 0.00 C ATOM 538 CG GLU A 38 -2.931 -11.807 -10.354 1.00 0.00 C ATOM 539 CD GLU A 38 -3.037 -13.107 -9.581 1.00 0.00 C ATOM 540 OE1 GLU A 38 -2.249 -13.297 -8.631 1.00 0.00 O ATOM 541 OE2 GLU A 38 -3.906 -13.934 -9.927 1.00 0.00 O ATOM 0 H GLU A 38 -0.898 -10.422 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.485 -10.679 -12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.390 -12.273 -12.370 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.124 -12.581 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.660 -11.003 -9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.906 -11.556 -10.771 1.00 0.00 H new ATOM 548 N CYS A 39 -3.300 -9.203 -11.606 1.00 0.00 N ATOM 549 CA CYS A 39 -4.355 -8.309 -12.069 1.00 0.00 C ATOM 550 C CYS A 39 -3.777 -6.952 -12.462 1.00 0.00 C ATOM 551 O CYS A 39 -4.225 -6.329 -13.425 1.00 0.00 O ATOM 552 CB CYS A 39 -5.429 -8.145 -10.985 1.00 0.00 C ATOM 553 SG CYS A 39 -5.192 -6.708 -9.885 1.00 0.00 S ATOM 0 H CYS A 39 -3.389 -9.494 -10.632 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.818 -8.750 -12.952 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.402 -8.059 -11.468 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.453 -9.050 -10.378 1.00 0.00 H new ATOM 558 N GLY A 40 -2.772 -6.511 -11.709 1.00 0.00 N ATOM 559 CA GLY A 40 -2.127 -5.238 -11.982 1.00 0.00 C ATOM 560 C GLY A 40 -3.057 -4.214 -12.601 1.00 0.00 C ATOM 561 O GLY A 40 -2.994 -3.958 -13.804 1.00 0.00 O ATOM 0 H GLY A 40 -2.391 -7.017 -10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.723 -4.837 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.283 -5.403 -12.651 1.00 0.00 H new ATOM 565 N GLY A 41 -3.915 -3.617 -11.780 1.00 0.00 N ATOM 566 CA GLY A 41 -4.839 -2.613 -12.275 1.00 0.00 C ATOM 567 C GLY A 41 -6.218 -3.168 -12.573 1.00 0.00 C ATOM 568 O GLY A 41 -6.979 -2.577 -13.337 1.00 0.00 O ATOM 0 H GLY A 41 -3.987 -3.810 -10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.927 -1.814 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.430 -2.167 -13.182 1.00 0.00 H new ATOM 572 N SER A 42 -6.546 -4.305 -11.965 1.00 0.00 N ATOM 573 CA SER A 42 -7.849 -4.929 -12.171 1.00 0.00 C ATOM 574 C SER A 42 -8.484 -5.328 -10.842 1.00 0.00 C ATOM 575 O SER A 42 -9.571 -5.907 -10.812 1.00 0.00 O ATOM 576 CB SER A 42 -7.716 -6.154 -13.076 1.00 0.00 C ATOM 577 OG SER A 42 -8.872 -6.321 -13.880 1.00 0.00 O ATOM 0 H SER A 42 -5.930 -4.811 -11.328 1.00 0.00 H new ATOM 0 HA SER A 42 -8.498 -4.198 -12.654 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.838 -6.046 -13.713 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.560 -7.045 -12.467 1.00 0.00 H new ATOM 0 HG SER A 42 -8.762 -7.110 -14.451 1.00 0.00 H new ATOM 583 N CYS A 43 -7.804 -5.013 -9.743 1.00 0.00 N ATOM 584 CA CYS A 43 -8.306 -5.338 -8.413 1.00 0.00 C ATOM 585 C CYS A 43 -9.036 -6.677 -8.415 1.00 0.00 C ATOM 586 O CYS A 43 -10.024 -6.859 -7.701 1.00 0.00 O ATOM 587 CB CYS A 43 -9.242 -4.235 -7.918 1.00 0.00 C ATOM 588 SG CYS A 43 -10.666 -3.939 -8.994 1.00 0.00 S ATOM 0 H CYS A 43 -6.904 -4.533 -9.748 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.453 -5.414 -7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.600 -4.497 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.675 -3.309 -7.820 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.704 -4.847 -9.924 1.00 0.00 H new ATOM 594 N VAL A 44 -8.547 -7.612 -9.221 1.00 0.00 N ATOM 595 CA VAL A 44 -9.154 -8.935 -9.314 1.00 0.00 C ATOM 596 C VAL A 44 -8.385 -9.954 -8.480 1.00 0.00 C ATOM 597 O VAL A 44 -8.837 -11.083 -8.289 1.00 0.00 O ATOM 598 CB VAL A 44 -9.215 -9.421 -10.774 1.00 0.00 C ATOM 599 CG1 VAL A 44 -9.870 -10.791 -10.856 1.00 0.00 C ATOM 600 CG2 VAL A 44 -9.960 -8.415 -11.638 1.00 0.00 C ATOM 0 H VAL A 44 -7.732 -7.479 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.169 -8.847 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.196 -9.509 -11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.904 -11.117 -11.896 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.292 -11.506 -10.270 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.884 -10.734 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.994 -8.774 -12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.976 -8.294 -11.262 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.445 -7.455 -11.605 1.00 0.00 H new ATOM 610 N CYS A 45 -7.219 -9.549 -7.984 1.00 0.00 N ATOM 611 CA CYS A 45 -6.389 -10.428 -7.170 1.00 0.00 C ATOM 612 C CYS A 45 -6.241 -9.879 -5.752 1.00 0.00 C ATOM 613 O CYS A 45 -6.996 -8.999 -5.336 1.00 0.00 O ATOM 614 CB CYS A 45 -5.012 -10.603 -7.821 1.00 0.00 C ATOM 615 SG CYS A 45 -3.763 -9.386 -7.290 1.00 0.00 S ATOM 0 H CYS A 45 -6.829 -8.618 -8.132 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.877 -11.401 -7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.643 -11.604 -7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.125 -10.540 -8.903 1.00 0.00 H new ATOM 620 N ALA A 46 -5.266 -10.402 -5.016 1.00 0.00 N ATOM 621 CA ALA A 46 -5.021 -9.962 -3.647 1.00 0.00 C ATOM 622 C ALA A 46 -3.592 -10.274 -3.212 1.00 0.00 C ATOM 623 O ALA A 46 -3.300 -10.351 -2.018 1.00 0.00 O ATOM 624 CB ALA A 46 -6.014 -10.614 -2.695 1.00 0.00 C ATOM 0 H ALA A 46 -4.633 -11.131 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.155 -8.881 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.818 -10.276 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.028 -10.336 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.907 -11.698 -2.744 1.00 0.00 H new ATOM 630 N THR A 47 -2.705 -10.450 -4.186 1.00 0.00 N ATOM 631 CA THR A 47 -1.307 -10.752 -3.900 1.00 0.00 C ATOM 632 C THR A 47 -0.495 -9.472 -3.721 1.00 0.00 C ATOM 633 O THR A 47 0.726 -9.517 -3.573 1.00 0.00 O ATOM 634 CB THR A 47 -0.706 -11.597 -5.026 1.00 0.00 C ATOM 635 OG1 THR A 47 -1.527 -11.554 -6.181 1.00 0.00 O ATOM 636 CG2 THR A 47 -0.520 -13.049 -4.648 1.00 0.00 C ATOM 0 H THR A 47 -2.929 -10.389 -5.179 1.00 0.00 H new ATOM 0 HA THR A 47 -1.268 -11.317 -2.968 1.00 0.00 H new ATOM 0 HB THR A 47 0.273 -11.161 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.393 -12.369 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.091 -13.592 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.150 -13.119 -3.791 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.485 -13.484 -4.390 1.00 0.00 H new ATOM 644 N CYS A 48 -1.178 -8.331 -3.737 1.00 0.00 N ATOM 645 CA CYS A 48 -0.516 -7.041 -3.576 1.00 0.00 C ATOM 646 C CYS A 48 -0.546 -6.590 -2.119 1.00 0.00 C ATOM 647 O CYS A 48 -0.755 -5.412 -1.828 1.00 0.00 O ATOM 648 CB CYS A 48 -1.188 -5.988 -4.459 1.00 0.00 C ATOM 649 SG CYS A 48 -3.003 -5.945 -4.308 1.00 0.00 S ATOM 0 H CYS A 48 -2.189 -8.274 -3.860 1.00 0.00 H new ATOM 0 HA CYS A 48 0.524 -7.155 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.789 -5.006 -4.204 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.924 -6.179 -5.499 1.00 0.00 H new ATOM 654 N ARG A 49 -0.339 -7.534 -1.208 1.00 0.00 N ATOM 655 CA ARG A 49 -0.347 -7.234 0.219 1.00 0.00 C ATOM 656 C ARG A 49 0.594 -6.078 0.547 1.00 0.00 C ATOM 657 O ARG A 49 1.814 -6.206 0.439 1.00 0.00 O ATOM 658 CB ARG A 49 0.049 -8.473 1.024 1.00 0.00 C ATOM 659 CG ARG A 49 -0.174 -8.320 2.520 1.00 0.00 C ATOM 660 CD ARG A 49 -1.020 -9.454 3.074 1.00 0.00 C ATOM 661 NE ARG A 49 -1.582 -9.129 4.382 1.00 0.00 N ATOM 662 CZ ARG A 49 -0.858 -9.028 5.491 1.00 0.00 C ATOM 663 NH1 ARG A 49 0.453 -9.228 5.451 1.00 0.00 N ATOM 664 NH2 ARG A 49 -1.445 -8.726 6.642 1.00 0.00 N ATOM 0 H ARG A 49 -0.164 -8.513 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.360 -6.937 0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.523 -9.328 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.101 -8.694 0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.788 -8.298 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.664 -7.367 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.828 -9.677 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.411 -10.355 3.155 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.587 -8.971 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.907 -9.460 4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.007 -9.150 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.453 -8.571 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.889 -8.649 7.493 1.00 0.00 H new ATOM 678 N ILE A 50 0.017 -4.955 0.960 1.00 0.00 N ATOM 679 CA ILE A 50 0.795 -3.776 1.319 1.00 0.00 C ATOM 680 C ILE A 50 0.099 -3.010 2.436 1.00 0.00 C ATOM 681 O ILE A 50 -1.120 -3.086 2.582 1.00 0.00 O ATOM 682 CB ILE A 50 1.008 -2.844 0.106 1.00 0.00 C ATOM 683 CG1 ILE A 50 2.032 -3.453 -0.853 1.00 0.00 C ATOM 684 CG2 ILE A 50 1.459 -1.461 0.558 1.00 0.00 C ATOM 685 CD1 ILE A 50 1.476 -3.735 -2.231 1.00 0.00 C ATOM 0 H ILE A 50 -0.992 -4.837 1.055 1.00 0.00 H new ATOM 0 HA ILE A 50 1.772 -4.117 1.661 1.00 0.00 H new ATOM 0 HB ILE A 50 0.058 -2.736 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.881 -2.775 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.411 -4.382 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.603 -0.822 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.699 -1.025 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.398 -1.545 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.257 -4.166 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.646 -4.437 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.123 -2.806 -2.678 1.00 0.00 H new ATOM 697 N GLU A 51 0.874 -2.282 3.233 1.00 0.00 N ATOM 698 CA GLU A 51 0.307 -1.525 4.340 1.00 0.00 C ATOM 699 C GLU A 51 0.974 -0.168 4.497 1.00 0.00 C ATOM 700 O GLU A 51 2.195 -0.059 4.489 1.00 0.00 O ATOM 701 CB GLU A 51 0.445 -2.316 5.638 1.00 0.00 C ATOM 702 CG GLU A 51 -0.467 -3.523 5.693 1.00 0.00 C ATOM 703 CD GLU A 51 0.297 -4.833 5.678 1.00 0.00 C ATOM 704 OE1 GLU A 51 0.789 -5.220 4.597 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.399 -5.473 6.746 1.00 0.00 O ATOM 0 H GLU A 51 1.886 -2.201 3.134 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.747 -1.358 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.479 -2.643 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.224 -1.662 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.076 -3.472 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.151 -3.496 4.845 1.00 0.00 H new ATOM 712 N ILE A 52 0.156 0.860 4.667 1.00 0.00 N ATOM 713 CA ILE A 52 0.650 2.218 4.855 1.00 0.00 C ATOM 714 C ILE A 52 1.336 2.334 6.205 1.00 0.00 C ATOM 715 O ILE A 52 0.924 1.667 7.154 1.00 0.00 O ATOM 716 CB ILE A 52 -0.511 3.226 4.824 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.199 3.202 3.465 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.010 4.622 5.157 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.468 4.006 2.423 1.00 0.00 C ATOM 0 H ILE A 52 -0.861 0.779 4.679 1.00 0.00 H new ATOM 0 HA ILE A 52 1.350 2.436 4.049 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.243 2.940 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.285 2.170 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.213 3.589 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.844 5.324 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.433 4.622 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.741 4.923 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.006 3.950 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.405 5.046 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.537 3.605 2.293 1.00 0.00 H new ATOM 731 N GLU A 53 2.364 3.175 6.330 1.00 0.00 N ATOM 732 CA GLU A 53 2.999 3.290 7.639 1.00 0.00 C ATOM 733 C GLU A 53 1.915 3.683 8.651 1.00 0.00 C ATOM 734 O GLU A 53 0.833 4.116 8.250 1.00 0.00 O ATOM 735 CB GLU A 53 4.183 4.275 7.617 1.00 0.00 C ATOM 736 CG GLU A 53 3.905 5.605 8.279 1.00 0.00 C ATOM 737 CD GLU A 53 4.428 5.669 9.701 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.723 5.201 10.618 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.545 6.190 9.899 1.00 0.00 O ATOM 0 H GLU A 53 2.755 3.755 5.588 1.00 0.00 H new ATOM 0 HA GLU A 53 3.435 2.335 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.036 3.809 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.472 4.453 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.362 6.402 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.830 5.787 8.282 1.00 0.00 H new ATOM 746 N ASP A 54 2.163 3.501 9.945 1.00 0.00 N ATOM 747 CA ASP A 54 1.146 3.814 10.961 1.00 0.00 C ATOM 748 C ASP A 54 1.039 5.305 11.279 1.00 0.00 C ATOM 749 O ASP A 54 0.508 5.690 12.321 1.00 0.00 O ATOM 750 CB ASP A 54 1.416 3.025 12.243 1.00 0.00 C ATOM 751 CG ASP A 54 0.271 2.097 12.601 1.00 0.00 C ATOM 752 OD1 ASP A 54 -0.884 2.418 12.251 1.00 0.00 O ATOM 753 OD2 ASP A 54 0.531 1.050 13.230 1.00 0.00 O ATOM 0 H ASP A 54 3.043 3.144 10.317 1.00 0.00 H new ATOM 0 HA ASP A 54 0.188 3.517 10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.329 2.442 12.122 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.588 3.720 13.065 1.00 0.00 H new ATOM 758 N ALA A 55 1.509 6.132 10.367 1.00 0.00 N ATOM 759 CA ALA A 55 1.439 7.573 10.517 1.00 0.00 C ATOM 760 C ALA A 55 0.494 8.152 9.486 1.00 0.00 C ATOM 761 O ALA A 55 -0.046 9.243 9.657 1.00 0.00 O ATOM 762 CB ALA A 55 2.813 8.198 10.334 1.00 0.00 C ATOM 0 H ALA A 55 1.951 5.825 9.500 1.00 0.00 H new ATOM 0 HA ALA A 55 1.076 7.795 11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.739 9.279 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.497 7.798 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.189 7.965 9.338 1.00 0.00 H new ATOM 768 N TRP A 56 0.355 7.431 8.380 1.00 0.00 N ATOM 769 CA TRP A 56 -0.455 7.891 7.269 1.00 0.00 C ATOM 770 C TRP A 56 -1.734 7.134 7.068 1.00 0.00 C ATOM 771 O TRP A 56 -2.451 7.397 6.115 1.00 0.00 O ATOM 772 CB TRP A 56 0.358 7.797 6.014 1.00 0.00 C ATOM 773 CG TRP A 56 1.612 8.540 6.165 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.637 8.220 6.987 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.963 9.740 5.512 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.613 9.164 6.914 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.232 10.107 5.994 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.328 10.543 4.558 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.884 11.244 5.557 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.987 11.674 4.115 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.249 12.015 4.611 1.00 0.00 C ATOM 0 H TRP A 56 0.796 6.523 8.233 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.743 8.915 7.507 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.571 6.752 5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.210 8.196 5.174 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.675 7.340 7.612 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.480 9.170 7.451 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.350 10.286 4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.855 11.517 5.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.520 12.305 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.737 12.905 4.243 1.00 0.00 H new ATOM 792 N VAL A 57 -2.051 6.220 7.935 1.00 0.00 N ATOM 793 CA VAL A 57 -3.284 5.508 7.765 1.00 0.00 C ATOM 794 C VAL A 57 -4.425 6.469 7.949 1.00 0.00 C ATOM 795 O VAL A 57 -5.433 6.420 7.243 1.00 0.00 O ATOM 796 CB VAL A 57 -3.409 4.381 8.757 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.665 3.604 8.466 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.169 3.536 8.665 1.00 0.00 C ATOM 0 H VAL A 57 -1.492 5.954 8.746 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.304 5.076 6.764 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.491 4.751 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.761 2.787 9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.529 4.264 8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.616 3.198 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.237 2.712 9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.074 3.137 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.296 4.145 8.898 1.00 0.00 H new ATOM 808 N GLU A 58 -4.228 7.379 8.885 1.00 0.00 N ATOM 809 CA GLU A 58 -5.209 8.405 9.151 1.00 0.00 C ATOM 810 C GLU A 58 -5.051 9.517 8.122 1.00 0.00 C ATOM 811 O GLU A 58 -5.825 10.476 8.092 1.00 0.00 O ATOM 812 CB GLU A 58 -5.051 8.956 10.570 1.00 0.00 C ATOM 813 CG GLU A 58 -5.496 7.983 11.650 1.00 0.00 C ATOM 814 CD GLU A 58 -4.984 8.365 13.026 1.00 0.00 C ATOM 815 OE1 GLU A 58 -3.832 8.007 13.351 1.00 0.00 O ATOM 816 OE2 GLU A 58 -5.735 9.021 13.778 1.00 0.00 O ATOM 0 H GLU A 58 -3.395 7.425 9.472 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.208 7.977 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.006 9.218 10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.628 9.876 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.585 7.942 11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.143 6.982 11.400 1.00 0.00 H new ATOM 823 N ILE A 59 -4.039 9.364 7.265 1.00 0.00 N ATOM 824 CA ILE A 59 -3.764 10.333 6.207 1.00 0.00 C ATOM 825 C ILE A 59 -4.170 9.770 4.860 1.00 0.00 C ATOM 826 O ILE A 59 -4.586 10.492 3.954 1.00 0.00 O ATOM 827 CB ILE A 59 -2.263 10.668 6.118 1.00 0.00 C ATOM 828 CG1 ILE A 59 -1.871 11.651 7.197 1.00 0.00 C ATOM 829 CG2 ILE A 59 -1.901 11.233 4.752 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.466 11.450 7.683 1.00 0.00 C ATOM 0 H ILE A 59 -3.395 8.573 7.285 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.333 11.230 6.451 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.712 9.739 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.976 12.666 6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.559 11.555 8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.835 11.459 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.138 10.500 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.470 12.145 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.240 12.184 8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.363 10.446 8.094 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.228 11.574 6.852 1.00 0.00 H new ATOM 842 N VAL A 60 -3.979 8.473 4.738 1.00 0.00 N ATOM 843 CA VAL A 60 -4.242 7.765 3.510 1.00 0.00 C ATOM 844 C VAL A 60 -5.672 7.300 3.420 1.00 0.00 C ATOM 845 O VAL A 60 -6.382 7.618 2.466 1.00 0.00 O ATOM 846 CB VAL A 60 -3.319 6.544 3.405 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.731 5.647 2.241 1.00 0.00 C ATOM 848 CG2 VAL A 60 -1.865 6.991 3.290 1.00 0.00 C ATOM 0 H VAL A 60 -3.635 7.880 5.494 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.055 8.459 2.691 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.415 5.952 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.061 4.789 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.753 5.301 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.673 6.210 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.220 6.115 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.743 7.608 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.591 7.570 4.172 1.00 0.00 H new ATOM 858 N GLY A 61 -6.082 6.505 4.390 1.00 0.00 N ATOM 859 CA GLY A 61 -7.427 5.979 4.346 1.00 0.00 C ATOM 860 C GLY A 61 -7.689 5.412 2.972 1.00 0.00 C ATOM 861 O GLY A 61 -8.458 5.971 2.191 1.00 0.00 O ATOM 0 H GLY A 61 -5.522 6.218 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.553 5.205 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.146 6.766 4.572 1.00 0.00 H new ATOM 865 N GLU A 62 -6.992 4.323 2.673 1.00 0.00 N ATOM 866 CA GLU A 62 -7.070 3.668 1.374 1.00 0.00 C ATOM 867 C GLU A 62 -8.515 3.455 0.919 1.00 0.00 C ATOM 868 O GLU A 62 -9.254 4.417 0.715 1.00 0.00 O ATOM 869 CB GLU A 62 -6.303 2.343 1.435 1.00 0.00 C ATOM 870 CG GLU A 62 -4.794 2.521 1.468 1.00 0.00 C ATOM 871 CD GLU A 62 -4.048 1.283 1.010 1.00 0.00 C ATOM 872 OE1 GLU A 62 -3.999 0.300 1.779 1.00 0.00 O ATOM 873 OE2 GLU A 62 -3.514 1.295 -0.119 1.00 0.00 O ATOM 0 H GLU A 62 -6.355 3.868 3.327 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.612 4.319 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.616 1.791 2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.571 1.736 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.518 3.362 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.484 2.772 2.482 1.00 0.00 H new ATOM 880 N ALA A 63 -8.920 2.199 0.746 1.00 0.00 N ATOM 881 CA ALA A 63 -10.265 1.911 0.312 1.00 0.00 C ATOM 882 C ALA A 63 -11.253 1.859 1.468 1.00 0.00 C ATOM 883 O ALA A 63 -10.912 2.134 2.618 1.00 0.00 O ATOM 884 CB ALA A 63 -10.316 0.613 -0.479 1.00 0.00 C ATOM 0 H ALA A 63 -8.335 1.378 0.901 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.564 2.735 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.341 0.419 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.676 0.697 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.967 -0.208 0.147 1.00 0.00 H new ATOM 890 N ASN A 64 -12.484 1.497 1.130 1.00 0.00 N ATOM 891 CA ASN A 64 -13.561 1.387 2.083 1.00 0.00 C ATOM 892 C ASN A 64 -13.628 -0.024 2.649 1.00 0.00 C ATOM 893 O ASN A 64 -12.844 -0.900 2.285 1.00 0.00 O ATOM 894 CB ASN A 64 -14.898 1.755 1.415 1.00 0.00 C ATOM 895 CG ASN A 64 -14.853 1.683 -0.100 1.00 0.00 C ATOM 896 OD1 ASN A 64 -15.086 2.677 -0.788 1.00 0.00 O ATOM 897 ND2 ASN A 64 -14.554 0.501 -0.628 1.00 0.00 N ATOM 0 H ASN A 64 -12.757 1.271 0.174 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.373 2.081 2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.675 1.084 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.181 2.764 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.511 0.391 -1.641 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.368 -0.297 -0.020 1.00 0.00 H new ATOM 904 N PRO A 65 -14.580 -0.241 3.553 1.00 0.00 N ATOM 905 CA PRO A 65 -14.801 -1.531 4.212 1.00 0.00 C ATOM 906 C PRO A 65 -15.287 -2.608 3.242 1.00 0.00 C ATOM 907 O PRO A 65 -15.494 -3.757 3.634 1.00 0.00 O ATOM 908 CB PRO A 65 -15.882 -1.217 5.262 1.00 0.00 C ATOM 909 CG PRO A 65 -15.901 0.275 5.368 1.00 0.00 C ATOM 910 CD PRO A 65 -15.516 0.778 4.010 1.00 0.00 C ATOM 0 HA PRO A 65 -13.881 -1.933 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.854 -1.603 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.645 -1.677 6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.889 0.635 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.202 0.623 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.378 0.863 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.052 1.763 4.058 1.00 0.00 H new ATOM 918 N ASP A 66 -15.457 -2.237 1.974 1.00 0.00 N ATOM 919 CA ASP A 66 -15.903 -3.181 0.956 1.00 0.00 C ATOM 920 C ASP A 66 -14.705 -3.877 0.326 1.00 0.00 C ATOM 921 O ASP A 66 -14.629 -5.105 0.299 1.00 0.00 O ATOM 922 CB ASP A 66 -16.723 -2.465 -0.120 1.00 0.00 C ATOM 923 CG ASP A 66 -17.771 -1.543 0.469 1.00 0.00 C ATOM 924 OD1 ASP A 66 -17.395 -0.467 0.979 1.00 0.00 O ATOM 925 OD2 ASP A 66 -18.968 -1.897 0.419 1.00 0.00 O ATOM 0 H ASP A 66 -15.293 -1.291 1.630 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.537 -3.929 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.054 -1.889 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.210 -3.206 -0.754 1.00 0.00 H new ATOM 930 N GLU A 67 -13.756 -3.082 -0.160 1.00 0.00 N ATOM 931 CA GLU A 67 -12.548 -3.627 -0.765 1.00 0.00 C ATOM 932 C GLU A 67 -11.813 -4.486 0.255 1.00 0.00 C ATOM 933 O GLU A 67 -11.073 -5.404 -0.098 1.00 0.00 O ATOM 934 CB GLU A 67 -11.642 -2.498 -1.258 1.00 0.00 C ATOM 935 CG GLU A 67 -12.376 -1.444 -2.068 1.00 0.00 C ATOM 936 CD GLU A 67 -12.307 -1.702 -3.561 1.00 0.00 C ATOM 937 OE1 GLU A 67 -11.804 -2.775 -3.955 1.00 0.00 O ATOM 938 OE2 GLU A 67 -12.755 -0.831 -4.335 1.00 0.00 O ATOM 0 H GLU A 67 -13.801 -2.063 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.824 -4.242 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.169 -2.021 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.844 -2.923 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.420 -1.414 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.950 -0.464 -1.852 1.00 0.00 H new ATOM 945 N ASN A 68 -12.043 -4.177 1.529 1.00 0.00 N ATOM 946 CA ASN A 68 -11.428 -4.912 2.627 1.00 0.00 C ATOM 947 C ASN A 68 -12.310 -6.080 3.046 1.00 0.00 C ATOM 948 O ASN A 68 -11.820 -7.103 3.527 1.00 0.00 O ATOM 949 CB ASN A 68 -11.190 -3.983 3.821 1.00 0.00 C ATOM 950 CG ASN A 68 -10.858 -4.741 5.091 1.00 0.00 C ATOM 951 OD1 ASN A 68 -11.392 -4.448 6.160 1.00 0.00 O ATOM 952 ND2 ASN A 68 -9.969 -5.722 4.982 1.00 0.00 N ATOM 0 H ASN A 68 -12.655 -3.417 1.826 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.469 -5.302 2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.375 -3.298 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.079 -3.375 3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.705 -6.265 5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.550 -5.932 4.076 1.00 0.00 H new ATOM 959 N ASP A 69 -13.618 -5.927 2.854 1.00 0.00 N ATOM 960 CA ASP A 69 -14.566 -6.975 3.208 1.00 0.00 C ATOM 961 C ASP A 69 -14.176 -8.286 2.539 1.00 0.00 C ATOM 962 O ASP A 69 -14.121 -9.332 3.185 1.00 0.00 O ATOM 963 CB ASP A 69 -15.985 -6.577 2.795 1.00 0.00 C ATOM 964 CG ASP A 69 -16.986 -7.694 3.017 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.087 -8.582 2.146 1.00 0.00 O ATOM 966 OD2 ASP A 69 -17.670 -7.679 4.062 1.00 0.00 O ATOM 0 H ASP A 69 -14.043 -5.089 2.456 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.543 -7.109 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.293 -5.699 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.988 -6.294 1.742 1.00 0.00 H new ATOM 971 N LEU A 70 -13.894 -8.219 1.243 1.00 0.00 N ATOM 972 CA LEU A 70 -13.497 -9.399 0.487 1.00 0.00 C ATOM 973 C LEU A 70 -12.358 -10.128 1.196 1.00 0.00 C ATOM 974 O LEU A 70 -12.326 -11.357 1.239 1.00 0.00 O ATOM 975 CB LEU A 70 -13.069 -9.010 -0.929 1.00 0.00 C ATOM 976 CG LEU A 70 -11.985 -7.934 -1.005 1.00 0.00 C ATOM 977 CD1 LEU A 70 -10.608 -8.571 -1.103 1.00 0.00 C ATOM 978 CD2 LEU A 70 -12.234 -7.009 -2.187 1.00 0.00 C ATOM 0 H LEU A 70 -13.933 -7.360 0.695 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.355 -10.068 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.710 -9.902 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.946 -8.660 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.023 -7.340 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.849 -7.790 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.430 -9.191 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.556 -9.189 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.453 -6.250 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.223 -7.588 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.204 -6.526 -2.073 1.00 0.00 H new ATOM 990 N LEU A 71 -11.430 -9.359 1.758 1.00 0.00 N ATOM 991 CA LEU A 71 -10.294 -9.930 2.475 1.00 0.00 C ATOM 992 C LEU A 71 -10.746 -10.507 3.812 1.00 0.00 C ATOM 993 O LEU A 71 -10.298 -11.578 4.222 1.00 0.00 O ATOM 994 CB LEU A 71 -9.217 -8.864 2.710 1.00 0.00 C ATOM 995 CG LEU A 71 -8.155 -8.737 1.613 1.00 0.00 C ATOM 996 CD1 LEU A 71 -6.896 -8.088 2.165 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.832 -10.097 1.012 1.00 0.00 C ATOM 0 H LEU A 71 -11.442 -8.339 1.731 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.873 -10.730 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.708 -7.898 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.715 -9.083 3.652 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.556 -8.102 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.152 -8.005 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.135 -7.094 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.497 -8.699 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.076 -9.981 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.454 -10.759 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.735 -10.527 0.578 1.00 0.00 H new ATOM 1009 N GLN A 72 -11.635 -9.786 4.486 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.150 -10.218 5.780 1.00 0.00 C ATOM 1011 C GLN A 72 -12.744 -11.622 5.696 1.00 0.00 C ATOM 1012 O GLN A 72 -12.575 -12.433 6.607 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.209 -9.234 6.281 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.626 -7.984 6.920 1.00 0.00 C ATOM 1015 CD GLN A 72 -12.920 -7.900 8.406 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -14.023 -7.534 8.811 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -11.933 -8.241 9.225 1.00 0.00 N ATOM 0 H GLN A 72 -12.015 -8.898 4.157 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.317 -10.241 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.845 -8.942 5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.847 -9.739 7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.547 -7.970 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.031 -7.103 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.035 -8.539 8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.073 -8.206 10.235 1.00 0.00 H new ATOM 1026 N SER A 73 -13.443 -11.899 4.602 1.00 0.00 N ATOM 1027 CA SER A 73 -14.069 -13.203 4.401 1.00 0.00 C ATOM 1028 C SER A 73 -13.042 -14.331 4.482 1.00 0.00 C ATOM 1029 O SER A 73 -13.378 -15.463 4.827 1.00 0.00 O ATOM 1030 CB SER A 73 -14.778 -13.244 3.047 1.00 0.00 C ATOM 1031 OG SER A 73 -14.024 -13.976 2.098 1.00 0.00 O ATOM 0 H SER A 73 -13.592 -11.239 3.839 1.00 0.00 H new ATOM 0 HA SER A 73 -14.799 -13.349 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.762 -13.698 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.936 -12.228 2.685 1.00 0.00 H new ATOM 0 HG SER A 73 -13.396 -13.375 1.645 1.00 0.00 H new ATOM 1037 N THR A 74 -11.793 -14.015 4.160 1.00 0.00 N ATOM 1038 CA THR A 74 -10.721 -15.003 4.193 1.00 0.00 C ATOM 1039 C THR A 74 -10.707 -15.759 5.518 1.00 0.00 C ATOM 1040 O THR A 74 -10.654 -16.988 5.543 1.00 0.00 O ATOM 1041 CB THR A 74 -9.370 -14.324 3.970 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.047 -13.482 5.062 1.00 0.00 O ATOM 1043 CG2 THR A 74 -9.327 -13.482 2.715 1.00 0.00 C ATOM 0 H THR A 74 -11.498 -13.082 3.873 1.00 0.00 H new ATOM 0 HA THR A 74 -10.902 -15.720 3.392 1.00 0.00 H new ATOM 0 HB THR A 74 -8.650 -15.136 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.738 -12.794 5.160 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.341 -13.028 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.526 -14.111 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.083 -12.699 2.776 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.744 -15.014 6.617 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.726 -15.627 7.931 1.00 0.00 C ATOM 1053 C GLY A 75 -9.657 -15.030 8.822 1.00 0.00 C ATOM 1054 O GLY A 75 -9.809 -14.981 10.043 1.00 0.00 O ATOM 0 H GLY A 75 -10.786 -13.995 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.701 -15.503 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.555 -16.699 7.829 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.573 -14.568 8.205 1.00 0.00 N ATOM 1059 CA GLU A 76 -7.473 -13.960 8.943 1.00 0.00 C ATOM 1060 C GLU A 76 -7.473 -12.447 8.754 1.00 0.00 C ATOM 1061 O GLU A 76 -7.447 -11.951 7.628 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.135 -14.544 8.481 1.00 0.00 C ATOM 1063 CG GLU A 76 -5.784 -15.863 9.151 1.00 0.00 C ATOM 1064 CD GLU A 76 -4.322 -15.946 9.545 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -3.476 -16.145 8.648 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -4.022 -15.812 10.750 1.00 0.00 O ATOM 0 H GLU A 76 -8.434 -14.604 7.195 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.608 -14.180 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.165 -14.691 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.344 -13.822 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.404 -15.992 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.021 -16.684 8.475 1.00 0.00 H new ATOM 1073 N PRO A 77 -7.509 -11.691 9.861 1.00 0.00 N ATOM 1074 CA PRO A 77 -7.518 -10.225 9.821 1.00 0.00 C ATOM 1075 C PRO A 77 -6.222 -9.649 9.263 1.00 0.00 C ATOM 1076 O PRO A 77 -5.391 -10.376 8.717 1.00 0.00 O ATOM 1077 CB PRO A 77 -7.692 -9.826 11.290 1.00 0.00 C ATOM 1078 CG PRO A 77 -7.202 -11.001 12.064 1.00 0.00 C ATOM 1079 CD PRO A 77 -7.545 -12.208 11.238 1.00 0.00 C ATOM 0 HA PRO A 77 -8.302 -9.844 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.119 -8.929 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.735 -9.608 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.127 -10.936 12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.678 -11.050 13.044 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.826 -13.014 11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.527 -12.606 11.494 1.00 0.00 H new ATOM 1087 N MET A 78 -6.057 -8.338 9.403 1.00 0.00 N ATOM 1088 CA MET A 78 -4.862 -7.662 8.912 1.00 0.00 C ATOM 1089 C MET A 78 -4.188 -6.873 10.030 1.00 0.00 C ATOM 1090 O MET A 78 -4.503 -7.050 11.206 1.00 0.00 O ATOM 1091 CB MET A 78 -5.221 -6.725 7.759 1.00 0.00 C ATOM 1092 CG MET A 78 -5.991 -7.405 6.639 1.00 0.00 C ATOM 1093 SD MET A 78 -6.754 -6.228 5.507 1.00 0.00 S ATOM 1094 CE MET A 78 -7.647 -5.184 6.656 1.00 0.00 C ATOM 0 H MET A 78 -6.735 -7.723 9.852 1.00 0.00 H new ATOM 0 HA MET A 78 -4.166 -8.420 8.553 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.815 -5.897 8.146 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.305 -6.297 7.351 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.316 -8.054 6.081 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.763 -8.042 7.069 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.257 -4.471 6.101 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.290 -5.801 7.284 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.938 -4.644 7.283 1.00 0.00 H new ATOM 1104 N THR A 79 -3.261 -6.000 9.653 1.00 0.00 N ATOM 1105 CA THR A 79 -2.545 -5.180 10.621 1.00 0.00 C ATOM 1106 C THR A 79 -3.036 -3.738 10.573 1.00 0.00 C ATOM 1107 O THR A 79 -4.124 -3.460 10.071 1.00 0.00 O ATOM 1108 CB THR A 79 -1.041 -5.224 10.347 1.00 0.00 C ATOM 1109 OG1 THR A 79 -0.696 -4.336 9.297 1.00 0.00 O ATOM 1110 CG2 THR A 79 -0.543 -6.601 9.967 1.00 0.00 C ATOM 0 H THR A 79 -2.988 -5.842 8.683 1.00 0.00 H new ATOM 0 HA THR A 79 -2.738 -5.583 11.615 1.00 0.00 H new ATOM 0 HB THR A 79 -0.567 -4.930 11.284 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.455 -4.245 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.531 -6.562 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.750 -7.299 10.778 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.051 -6.935 9.063 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.225 -2.823 11.094 1.00 0.00 N ATOM 1119 CA ALA A 80 -2.582 -1.411 11.103 1.00 0.00 C ATOM 1120 C ALA A 80 -2.246 -0.760 9.768 1.00 0.00 C ATOM 1121 O ALA A 80 -1.134 -0.903 9.259 1.00 0.00 O ATOM 1122 CB ALA A 80 -1.867 -0.689 12.234 1.00 0.00 C ATOM 0 H ALA A 80 -1.320 -3.034 11.514 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.657 -1.334 11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.145 0.365 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.153 -1.133 13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.789 -0.781 12.100 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.210 -0.041 9.204 1.00 0.00 N ATOM 1129 CA GLY A 81 -2.988 0.622 7.936 1.00 0.00 C ATOM 1130 C GLY A 81 -2.989 -0.342 6.765 1.00 0.00 C ATOM 1131 O GLY A 81 -2.579 0.011 5.660 1.00 0.00 O ATOM 0 H GLY A 81 -4.139 0.094 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.762 1.374 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.034 1.148 7.968 1.00 0.00 H new ATOM 1135 N THR A 82 -3.444 -1.565 7.012 1.00 0.00 N ATOM 1136 CA THR A 82 -3.491 -2.589 5.978 1.00 0.00 C ATOM 1137 C THR A 82 -4.671 -2.382 5.036 1.00 0.00 C ATOM 1138 O THR A 82 -5.824 -2.338 5.467 1.00 0.00 O ATOM 1139 CB THR A 82 -3.578 -3.971 6.616 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.062 -3.949 7.935 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.820 -5.023 5.844 1.00 0.00 C ATOM 0 H THR A 82 -3.786 -1.871 7.923 1.00 0.00 H new ATOM 0 HA THR A 82 -2.575 -2.512 5.393 1.00 0.00 H new ATOM 0 HB THR A 82 -4.637 -4.229 6.615 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.743 -3.601 8.547 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.919 -5.985 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.226 -5.097 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.767 -4.748 5.792 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.376 -2.262 3.745 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.413 -2.067 2.740 1.00 0.00 C ATOM 1151 C ARG A 83 -4.839 -2.183 1.333 1.00 0.00 C ATOM 1152 O ARG A 83 -3.647 -1.956 1.120 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.077 -0.704 2.924 1.00 0.00 C ATOM 1154 CG ARG A 83 -7.400 -0.770 3.667 1.00 0.00 C ATOM 1155 CD ARG A 83 -8.489 -0.016 2.925 1.00 0.00 C ATOM 1156 NE ARG A 83 -8.566 1.385 3.342 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.846 1.761 4.586 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -9.070 0.847 5.521 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.905 3.048 4.897 1.00 0.00 N ATOM 0 H ARG A 83 -3.428 -2.296 3.371 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.162 -2.849 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.397 -0.048 3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.241 -0.254 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.697 -1.811 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.280 -0.350 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.298 -0.065 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.450 -0.500 3.101 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.396 2.109 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.027 -0.145 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.285 1.136 6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.735 3.754 4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.120 3.332 5.853 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.690 -2.534 0.374 1.00 0.00 N ATOM 1174 CA LEU A 84 -5.256 -2.674 -1.011 1.00 0.00 C ATOM 1175 C LEU A 84 -4.386 -1.490 -1.419 1.00 0.00 C ATOM 1176 O LEU A 84 -4.772 -0.334 -1.251 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.466 -2.784 -1.942 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.192 -4.131 -1.903 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -8.476 -4.069 -2.714 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.286 -5.240 -2.420 1.00 0.00 C ATOM 0 H LEU A 84 -6.680 -2.726 0.530 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.666 -3.587 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.176 -1.998 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.138 -2.595 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.451 -4.353 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.978 -5.036 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.131 -3.302 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.241 -3.824 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.818 -6.191 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.997 -5.024 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.394 -5.301 -1.797 1.00 0.00 H new ATOM 1192 N SER A 85 -3.203 -1.787 -1.947 1.00 0.00 N ATOM 1193 CA SER A 85 -2.272 -0.747 -2.368 1.00 0.00 C ATOM 1194 C SER A 85 -2.501 -0.351 -3.824 1.00 0.00 C ATOM 1195 O SER A 85 -2.294 0.801 -4.201 1.00 0.00 O ATOM 1196 CB SER A 85 -0.831 -1.222 -2.176 1.00 0.00 C ATOM 1197 OG SER A 85 -0.049 -0.955 -3.327 1.00 0.00 O ATOM 0 H SER A 85 -2.867 -2.739 -2.093 1.00 0.00 H new ATOM 0 HA SER A 85 -2.449 0.132 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.393 -0.724 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.822 -2.292 -1.966 1.00 0.00 H new ATOM 0 HG SER A 85 0.876 -0.771 -3.059 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.925 -1.313 -4.640 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.175 -1.054 -6.054 1.00 0.00 C ATOM 1205 C CYS A 86 -4.593 -0.538 -6.279 1.00 0.00 C ATOM 1206 O CYS A 86 -5.131 -0.640 -7.381 1.00 0.00 O ATOM 1207 CB CYS A 86 -2.947 -2.324 -6.876 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.406 -3.410 -6.995 1.00 0.00 S ATOM 0 H CYS A 86 -3.102 -2.274 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.475 -0.285 -6.381 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.636 -2.041 -7.882 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.125 -2.886 -6.434 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.195 0.011 -5.231 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.552 0.535 -5.328 1.00 0.00 C ATOM 1215 C GLN A 87 -6.629 1.975 -4.835 1.00 0.00 C ATOM 1216 O GLN A 87 -7.642 2.648 -5.028 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.517 -0.343 -4.530 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.394 -1.228 -5.402 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.639 -0.514 -5.894 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -10.027 0.522 -5.357 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -10.273 -1.069 -6.921 1.00 0.00 N ATOM 0 H GLN A 87 -4.768 0.105 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.839 0.522 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.944 -0.972 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.154 0.295 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.816 -1.574 -6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.687 -2.113 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.916 -1.929 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.117 -0.635 -7.294 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.562 2.452 -4.195 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.533 3.801 -3.685 1.00 0.00 C ATOM 1232 C VAL A 88 -4.522 4.635 -4.454 1.00 0.00 C ATOM 1233 O VAL A 88 -3.646 4.092 -5.121 1.00 0.00 O ATOM 1234 CB VAL A 88 -5.170 3.802 -2.202 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -5.296 5.200 -1.650 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -6.047 2.816 -1.441 1.00 0.00 C ATOM 0 H VAL A 88 -4.712 1.916 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.525 4.234 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.136 3.480 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.036 5.198 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.621 5.866 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.322 5.548 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.776 2.828 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.094 3.100 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.899 1.813 -1.842 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.650 5.954 -4.386 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.732 6.812 -5.117 1.00 0.00 C ATOM 1248 C PHE A 89 -3.456 8.137 -4.425 1.00 0.00 C ATOM 1249 O PHE A 89 -4.328 8.735 -3.795 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.274 7.042 -6.515 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.561 5.754 -7.208 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -5.794 5.135 -7.060 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -3.590 5.144 -7.986 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -6.058 3.929 -7.683 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -3.843 3.934 -8.613 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.081 3.324 -8.461 1.00 0.00 C ATOM 0 H PHE A 89 -5.364 6.443 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.772 6.297 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.185 7.638 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.553 7.616 -7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.556 5.600 -6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.626 5.616 -8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.023 3.459 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.080 3.467 -9.218 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.283 2.381 -8.947 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.213 8.574 -4.569 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.727 9.815 -4.000 1.00 0.00 C ATOM 1268 C ILE A 90 -2.672 10.992 -4.251 1.00 0.00 C ATOM 1269 O ILE A 90 -3.559 10.928 -5.101 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.346 10.110 -4.599 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.647 9.053 -4.125 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.150 11.491 -4.230 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.541 9.538 -3.004 1.00 0.00 C ATOM 0 H ILE A 90 -1.504 8.064 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.667 9.695 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.436 10.078 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.099 8.173 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.266 8.741 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.131 11.656 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.549 12.240 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.226 11.573 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.224 8.740 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.114 10.401 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.929 9.823 -2.148 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.462 12.060 -3.487 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.252 13.267 -3.566 1.00 0.00 C ATOM 1287 C ASP A 91 -2.663 14.229 -2.541 1.00 0.00 C ATOM 1288 O ASP A 91 -1.850 13.809 -1.718 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.725 12.937 -3.257 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.147 13.322 -1.849 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.322 14.532 -1.593 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.304 12.415 -1.006 1.00 0.00 O ATOM 0 H ASP A 91 -1.723 12.103 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.228 13.715 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.363 13.454 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.887 11.868 -3.398 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.041 15.509 -2.541 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.523 16.482 -1.571 1.00 0.00 C ATOM 1299 C PRO A 92 -2.984 16.146 -0.156 1.00 0.00 C ATOM 1300 O PRO A 92 -3.441 17.005 0.597 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.111 17.818 -2.052 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.578 17.553 -3.447 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.986 16.109 -3.467 1.00 0.00 C ATOM 0 HA PRO A 92 -1.434 16.496 -1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.934 18.140 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.362 18.610 -2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.414 18.201 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.785 17.747 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.017 15.973 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.908 15.678 -4.465 1.00 0.00 H new ATOM 1311 N SER A 93 -2.860 14.867 0.170 1.00 0.00 N ATOM 1312 CA SER A 93 -3.247 14.325 1.459 1.00 0.00 C ATOM 1313 C SER A 93 -2.239 13.266 1.899 1.00 0.00 C ATOM 1314 O SER A 93 -1.919 13.144 3.079 1.00 0.00 O ATOM 1315 CB SER A 93 -4.625 13.680 1.336 1.00 0.00 C ATOM 1316 OG SER A 93 -4.519 12.268 1.267 1.00 0.00 O ATOM 0 H SER A 93 -2.481 14.167 -0.467 1.00 0.00 H new ATOM 0 HA SER A 93 -3.273 15.128 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.240 13.961 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.128 14.055 0.445 1.00 0.00 H new ATOM 0 HG SER A 93 -4.446 11.991 0.330 1.00 0.00 H new ATOM 1322 N MET A 94 -1.753 12.502 0.921 1.00 0.00 N ATOM 1323 CA MET A 94 -0.793 11.439 1.147 1.00 0.00 C ATOM 1324 C MET A 94 0.531 11.804 0.508 1.00 0.00 C ATOM 1325 O MET A 94 1.155 10.988 -0.171 1.00 0.00 O ATOM 1326 CB MET A 94 -1.318 10.144 0.529 1.00 0.00 C ATOM 1327 CG MET A 94 -2.488 9.539 1.280 1.00 0.00 C ATOM 1328 SD MET A 94 -3.511 8.485 0.235 1.00 0.00 S ATOM 1329 CE MET A 94 -2.297 7.303 -0.346 1.00 0.00 C ATOM 0 H MET A 94 -2.022 12.610 -0.057 1.00 0.00 H new ATOM 0 HA MET A 94 -0.649 11.301 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.620 10.340 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.508 9.416 0.490 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.113 8.956 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.102 10.339 1.695 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.798 6.512 -0.904 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.580 7.807 -0.994 1.00 0.00 H new ATOM 0 HE3 MET A 94 -1.773 6.870 0.507 1.00 0.00 H new ATOM 1339 N ASP A 95 0.950 13.040 0.719 1.00 0.00 N ATOM 1340 CA ASP A 95 2.170 13.525 0.168 1.00 0.00 C ATOM 1341 C ASP A 95 3.298 13.237 1.129 1.00 0.00 C ATOM 1342 O ASP A 95 3.211 13.564 2.312 1.00 0.00 O ATOM 1343 CB ASP A 95 2.039 15.021 -0.126 1.00 0.00 C ATOM 1344 CG ASP A 95 0.603 15.437 -0.367 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.064 15.101 -1.442 1.00 0.00 O ATOM 1346 OD2 ASP A 95 0.018 16.096 0.517 1.00 0.00 O ATOM 0 H ASP A 95 0.442 13.724 1.280 1.00 0.00 H new ATOM 0 HA ASP A 95 2.391 13.020 -0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.444 15.590 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.639 15.271 -1.001 1.00 0.00 H new ATOM 1351 N GLY A 96 4.326 12.566 0.644 1.00 0.00 N ATOM 1352 CA GLY A 96 5.397 12.192 1.526 1.00 0.00 C ATOM 1353 C GLY A 96 4.935 11.037 2.370 1.00 0.00 C ATOM 1354 O GLY A 96 5.348 10.885 3.513 1.00 0.00 O ATOM 0 H GLY A 96 4.435 12.279 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.281 11.913 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.680 13.034 2.158 1.00 0.00 H new ATOM 1358 N LEU A 97 4.021 10.247 1.793 1.00 0.00 N ATOM 1359 CA LEU A 97 3.428 9.112 2.483 1.00 0.00 C ATOM 1360 C LEU A 97 4.399 7.956 2.624 1.00 0.00 C ATOM 1361 O LEU A 97 5.286 7.758 1.799 1.00 0.00 O ATOM 1362 CB LEU A 97 2.145 8.667 1.774 1.00 0.00 C ATOM 1363 CG LEU A 97 2.300 7.524 0.773 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.573 6.283 1.268 1.00 0.00 C ATOM 1365 CD2 LEU A 97 1.771 7.951 -0.588 1.00 0.00 C ATOM 0 H LEU A 97 3.679 10.381 0.842 1.00 0.00 H new ATOM 0 HA LEU A 97 3.176 9.438 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.420 8.366 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.724 9.527 1.253 1.00 0.00 H new ATOM 0 HG LEU A 97 3.358 7.281 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.693 5.478 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.991 5.974 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.513 6.506 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.885 7.131 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.716 8.213 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.332 8.816 -0.941 1.00 0.00 H new ATOM 1377 N ILE A 98 4.229 7.209 3.700 1.00 0.00 N ATOM 1378 CA ILE A 98 5.100 6.082 3.989 1.00 0.00 C ATOM 1379 C ILE A 98 4.352 4.772 3.925 1.00 0.00 C ATOM 1380 O ILE A 98 3.335 4.591 4.592 1.00 0.00 O ATOM 1381 CB ILE A 98 5.757 6.192 5.376 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.523 7.502 5.506 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.673 5.008 5.636 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.634 8.691 5.299 1.00 0.00 C ATOM 0 H ILE A 98 3.494 7.362 4.390 1.00 0.00 H new ATOM 0 HA ILE A 98 5.875 6.106 3.223 1.00 0.00 H new ATOM 0 HB ILE A 98 4.967 6.181 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.981 7.558 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.333 7.523 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.126 5.108 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.095 4.085 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.456 4.981 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.219 9.605 5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.196 8.649 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.839 8.685 6.045 1.00 0.00 H new ATOM 1396 N VAL A 99 4.868 3.852 3.134 1.00 0.00 N ATOM 1397 CA VAL A 99 4.253 2.562 3.010 1.00 0.00 C ATOM 1398 C VAL A 99 4.947 1.531 3.889 1.00 0.00 C ATOM 1399 O VAL A 99 5.889 1.860 4.599 1.00 0.00 O ATOM 1400 CB VAL A 99 4.189 2.083 1.569 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.865 1.388 1.376 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.321 3.253 0.613 1.00 0.00 C ATOM 0 H VAL A 99 5.710 3.981 2.572 1.00 0.00 H new ATOM 0 HA VAL A 99 3.226 2.676 3.357 1.00 0.00 H new ATOM 0 HB VAL A 99 5.010 1.397 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.788 1.031 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.795 0.542 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.054 2.087 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.273 2.891 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.509 3.959 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.276 3.751 0.778 1.00 0.00 H new ATOM 1412 N ARG A 100 4.453 0.298 3.859 1.00 0.00 N ATOM 1413 CA ARG A 100 5.011 -0.781 4.680 1.00 0.00 C ATOM 1414 C ARG A 100 4.542 -2.152 4.184 1.00 0.00 C ATOM 1415 O ARG A 100 3.400 -2.303 3.751 1.00 0.00 O ATOM 1416 CB ARG A 100 4.572 -0.607 6.141 1.00 0.00 C ATOM 1417 CG ARG A 100 5.544 0.184 7.006 1.00 0.00 C ATOM 1418 CD ARG A 100 6.672 -0.689 7.529 1.00 0.00 C ATOM 1419 NE ARG A 100 6.432 -1.126 8.901 1.00 0.00 N ATOM 1420 CZ ARG A 100 6.526 -0.325 9.959 1.00 0.00 C ATOM 1421 NH1 ARG A 100 6.868 0.947 9.804 1.00 0.00 N ATOM 1422 NH2 ARG A 100 6.280 -0.796 11.174 1.00 0.00 N ATOM 0 H ARG A 100 3.666 0.016 3.275 1.00 0.00 H new ATOM 0 HA ARG A 100 6.097 -0.730 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.603 -0.109 6.158 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.432 -1.593 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.961 1.007 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.007 0.626 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.784 -1.561 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.610 -0.136 7.483 1.00 0.00 H new ATOM 0 HE ARG A 100 6.178 -2.101 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.060 1.314 8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.939 1.559 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.018 -1.774 11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.353 -0.180 11.984 1.00 0.00 H new ATOM 1436 N VAL A 101 5.421 -3.154 4.264 1.00 0.00 N ATOM 1437 CA VAL A 101 5.076 -4.509 3.841 1.00 0.00 C ATOM 1438 C VAL A 101 5.633 -5.533 4.824 1.00 0.00 C ATOM 1439 O VAL A 101 6.670 -6.151 4.579 1.00 0.00 O ATOM 1440 CB VAL A 101 5.609 -4.828 2.431 1.00 0.00 C ATOM 1441 CG1 VAL A 101 4.852 -5.995 1.820 1.00 0.00 C ATOM 1442 CG2 VAL A 101 5.524 -3.608 1.531 1.00 0.00 C ATOM 0 H VAL A 101 6.373 -3.051 4.617 1.00 0.00 H new ATOM 0 HA VAL A 101 3.988 -4.565 3.819 1.00 0.00 H new ATOM 0 HB VAL A 101 6.658 -5.110 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.245 -6.203 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.973 -6.877 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.794 -5.744 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.906 -3.859 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.485 -3.288 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.120 -2.800 1.956 1.00 0.00 H new ATOM 1452 N PRO A 102 4.947 -5.714 5.963 1.00 0.00 N ATOM 1453 CA PRO A 102 5.364 -6.654 7.007 1.00 0.00 C ATOM 1454 C PRO A 102 5.064 -8.106 6.653 1.00 0.00 C ATOM 1455 O PRO A 102 4.549 -8.401 5.575 1.00 0.00 O ATOM 1456 CB PRO A 102 4.533 -6.217 8.211 1.00 0.00 C ATOM 1457 CG PRO A 102 3.292 -5.647 7.618 1.00 0.00 C ATOM 1458 CD PRO A 102 3.708 -5.001 6.322 1.00 0.00 C ATOM 0 HA PRO A 102 6.441 -6.628 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.310 -7.059 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 102 5.062 -5.477 8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.549 -6.426 7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.838 -4.918 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.943 -5.114 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.881 -3.932 6.444 1.00 0.00 H new ATOM 1466 N LEU A 103 5.394 -9.007 7.572 1.00 0.00 N ATOM 1467 CA LEU A 103 5.166 -10.434 7.368 1.00 0.00 C ATOM 1468 C LEU A 103 3.711 -10.800 7.642 1.00 0.00 C ATOM 1469 O LEU A 103 3.180 -10.520 8.717 1.00 0.00 O ATOM 1470 CB LEU A 103 6.084 -11.254 8.276 1.00 0.00 C ATOM 1471 CG LEU A 103 7.348 -10.532 8.747 1.00 0.00 C ATOM 1472 CD1 LEU A 103 8.228 -11.472 9.558 1.00 0.00 C ATOM 1473 CD2 LEU A 103 8.114 -9.974 7.558 1.00 0.00 C ATOM 0 H LEU A 103 5.822 -8.774 8.468 1.00 0.00 H new ATOM 0 HA LEU A 103 5.391 -10.664 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.516 -11.568 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.378 -12.160 7.746 1.00 0.00 H new ATOM 0 HG LEU A 103 7.054 -9.701 9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.122 -10.942 9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.677 -11.825 10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.516 -12.323 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.010 -9.463 7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.398 -10.790 6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.483 -9.268 7.017 1.00 0.00 H new ATOM 1485 N PRO A 104 3.047 -11.437 6.665 1.00 0.00 N ATOM 1486 CA PRO A 104 1.646 -11.848 6.797 1.00 0.00 C ATOM 1487 C PRO A 104 1.406 -12.702 8.038 1.00 0.00 C ATOM 1488 O PRO A 104 1.656 -13.907 8.033 1.00 0.00 O ATOM 1489 CB PRO A 104 1.393 -12.667 5.528 1.00 0.00 C ATOM 1490 CG PRO A 104 2.399 -12.170 4.549 1.00 0.00 C ATOM 1491 CD PRO A 104 3.612 -11.807 5.357 1.00 0.00 C ATOM 0 HA PRO A 104 0.980 -10.992 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.516 -13.734 5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 104 0.377 -12.523 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 104 2.636 -12.935 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 104 2.020 -11.306 4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.305 -12.644 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.162 -10.980 4.908 1.00 0.00 H new ATOM 1499 N ALA A 105 0.920 -12.070 9.099 1.00 0.00 N ATOM 1500 CA ALA A 105 0.645 -12.772 10.347 1.00 0.00 C ATOM 1501 C ALA A 105 -0.626 -12.246 11.006 1.00 0.00 C ATOM 1502 O ALA A 105 -1.469 -13.075 11.408 1.00 0.00 O ATOM 1503 CB ALA A 105 1.826 -12.642 11.297 1.00 0.00 C ATOM 1504 OXT ALA A 105 -0.767 -11.010 11.114 1.00 0.00 O ATOM 0 H ALA A 105 0.708 -11.073 9.121 1.00 0.00 H new ATOM 0 HA ALA A 105 0.493 -13.826 10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.607 -13.171 12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.714 -13.073 10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.005 -11.589 11.513 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -4.354 -7.380 -7.967 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -3.884 -5.407 -6.246 1.00 0.00 FE HETATM 1513 S1 FES A 106 -5.713 -6.617 -6.416 1.00 0.00 S HETATM 1514 S2 FES A 106 -2.502 -6.211 -7.755 1.00 0.00 S