USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 822 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 26 SER OG : rot -68:sc= 0.521 USER MOD Set 1.2: A 55 SER OG : rot -170:sc=-0.00989 USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0314 (180deg=-0.119) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 14 TYR OH : rot 120:sc= -0.397 USER MOD Single : A 15 SER OG : rot 140:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 115:sc= 0.0686 USER MOD Single : A 25 SER OG : rot 9:sc= 0.686 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 34 MET CE :methyl -162:sc= -0.0631 (180deg=-0.514) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 170:sc= 0 USER MOD Single : A 40 THR OG1 : rot -30:sc= 1.06 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.105 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.234 F(o=-2.9!,f=-0.23) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.436 K(o=-0.44,f=-3.7!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0507 F(o=-0.67,f=-0.051) USER MOD Single : A 80 MET CE :methyl -154:sc= -2.72! (180deg=-3.94) USER MOD Single : A 82 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.65) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.593 K(o=-0.59,f=-1.3) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.483 F(o=-2.6,f=0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.045 -16.477 10.130 1.00 7.92 N ATOM 2 CA GLY A 1 -10.512 -15.649 11.276 1.00 7.68 C ATOM 3 C GLY A 1 -9.367 -15.136 12.126 1.00 6.86 C ATOM 4 O GLY A 1 -9.547 -14.843 13.309 1.00 7.03 O ATOM 0 H1 GLY A 1 -10.861 -16.941 9.682 1.00 7.92 H new ATOM 0 H2 GLY A 1 -9.567 -15.869 9.435 1.00 7.92 H new ATOM 0 H3 GLY A 1 -9.381 -17.200 10.472 1.00 7.92 H new ATOM 0 HA2 GLY A 1 -11.087 -14.804 10.899 1.00 7.68 H new ATOM 0 HA3 GLY A 1 -11.185 -16.240 11.897 1.00 7.68 H new ATOM 10 N SER A 2 -8.187 -15.024 11.524 1.00 6.24 N ATOM 11 CA SER A 2 -7.007 -14.542 12.234 1.00 5.73 C ATOM 12 C SER A 2 -7.028 -13.023 12.353 1.00 4.62 C ATOM 13 O SER A 2 -7.161 -12.475 13.448 1.00 4.63 O ATOM 14 CB SER A 2 -5.734 -14.982 11.511 1.00 6.38 C ATOM 15 OG SER A 2 -4.583 -14.709 12.291 1.00 7.18 O ATOM 0 H SER A 2 -8.022 -15.261 10.546 1.00 6.24 H new ATOM 0 HA SER A 2 -7.019 -14.972 13.235 1.00 5.73 H new ATOM 0 HB2 SER A 2 -5.786 -16.049 11.295 1.00 6.38 H new ATOM 0 HB3 SER A 2 -5.659 -14.466 10.554 1.00 6.38 H new ATOM 0 HG SER A 2 -3.783 -15.001 11.807 1.00 7.18 H new ATOM 21 N HIS A 3 -6.895 -12.350 11.215 1.00 4.05 N ATOM 22 CA HIS A 3 -6.896 -10.894 11.184 1.00 3.23 C ATOM 23 C HIS A 3 -8.272 -10.344 11.544 1.00 2.51 C ATOM 24 O HIS A 3 -8.397 -9.207 12.000 1.00 2.56 O ATOM 25 CB HIS A 3 -6.476 -10.390 9.802 1.00 3.35 C ATOM 26 CG HIS A 3 -5.058 -10.713 9.451 1.00 4.25 C ATOM 27 ND1 HIS A 3 -4.710 -11.651 8.501 1.00 4.88 N ATOM 28 CD2 HIS A 3 -3.892 -10.210 9.924 1.00 5.02 C ATOM 29 CE1 HIS A 3 -3.394 -11.713 8.406 1.00 5.81 C ATOM 30 NE2 HIS A 3 -2.875 -10.848 9.258 1.00 5.91 N ATOM 0 H HIS A 3 -6.785 -12.791 10.302 1.00 4.05 H new ATOM 0 HA HIS A 3 -6.178 -10.539 11.924 1.00 3.23 H new ATOM 0 HB2 HIS A 3 -7.135 -10.824 9.050 1.00 3.35 H new ATOM 0 HB3 HIS A 3 -6.614 -9.310 9.761 1.00 3.35 H new ATOM 0 HD2 HIS A 3 -3.783 -9.449 10.683 1.00 5.02 H new ATOM 0 HE1 HIS A 3 -2.838 -12.361 7.745 1.00 5.81 H new ATOM 0 HE2 HIS A 3 -1.879 -10.681 9.399 1.00 5.91 H new ATOM 39 N GLY A 4 -9.300 -11.160 11.338 1.00 2.45 N ATOM 40 CA GLY A 4 -10.657 -10.740 11.642 1.00 2.34 C ATOM 41 C GLY A 4 -11.398 -10.250 10.414 1.00 2.00 C ATOM 42 O GLY A 4 -12.433 -10.803 10.045 1.00 2.37 O ATOM 0 H GLY A 4 -9.218 -12.106 10.966 1.00 2.45 H new ATOM 0 HA2 GLY A 4 -11.202 -11.574 12.084 1.00 2.34 H new ATOM 0 HA3 GLY A 4 -10.630 -9.946 12.388 1.00 2.34 H new ATOM 46 N TYR A 5 -10.867 -9.209 9.779 1.00 1.70 N ATOM 47 CA TYR A 5 -11.484 -8.646 8.584 1.00 1.43 C ATOM 48 C TYR A 5 -10.809 -9.171 7.321 1.00 1.39 C ATOM 49 O TYR A 5 -9.971 -8.493 6.727 1.00 1.60 O ATOM 50 CB TYR A 5 -11.414 -7.118 8.614 1.00 1.42 C ATOM 51 CG TYR A 5 -12.392 -6.477 9.575 1.00 1.57 C ATOM 52 CD1 TYR A 5 -12.165 -6.510 10.946 1.00 1.84 C ATOM 53 CD2 TYR A 5 -13.539 -5.843 9.115 1.00 1.63 C ATOM 54 CE1 TYR A 5 -13.055 -5.929 11.829 1.00 2.07 C ATOM 55 CE2 TYR A 5 -14.433 -5.259 9.993 1.00 1.86 C ATOM 56 CZ TYR A 5 -14.195 -5.296 11.334 1.00 2.04 C ATOM 57 OH TYR A 5 -15.072 -4.724 12.227 1.00 2.33 O ATOM 0 H TYR A 5 -10.011 -8.739 10.073 1.00 1.70 H new ATOM 0 HA TYR A 5 -12.530 -8.954 8.571 1.00 1.43 H new ATOM 0 HB2 TYR A 5 -10.402 -6.816 8.885 1.00 1.42 H new ATOM 0 HB3 TYR A 5 -11.602 -6.736 7.611 1.00 1.42 H new ATOM 0 HD1 TYR A 5 -11.280 -6.997 11.327 1.00 1.84 H new ATOM 0 HD2 TYR A 5 -13.736 -5.806 8.054 1.00 1.63 H new ATOM 0 HE1 TYR A 5 -12.870 -5.965 12.892 1.00 2.07 H new ATOM 0 HE2 TYR A 5 -15.321 -4.773 9.616 1.00 1.86 H new ATOM 0 HH TYR A 5 -15.819 -4.319 11.738 1.00 2.33 H new ATOM 67 N SER A 6 -11.178 -10.382 6.916 1.00 1.46 N ATOM 68 CA SER A 6 -10.611 -10.991 5.719 1.00 1.51 C ATOM 69 C SER A 6 -11.712 -11.510 4.802 1.00 1.40 C ATOM 70 O SER A 6 -11.479 -12.375 3.959 1.00 1.78 O ATOM 71 CB SER A 6 -9.659 -12.129 6.097 1.00 1.86 C ATOM 72 OG SER A 6 -8.601 -11.658 6.915 1.00 2.59 O ATOM 0 H SER A 6 -11.866 -10.960 7.399 1.00 1.46 H new ATOM 0 HA SER A 6 -10.049 -10.226 5.184 1.00 1.51 H new ATOM 0 HB2 SER A 6 -10.210 -12.909 6.623 1.00 1.86 H new ATOM 0 HB3 SER A 6 -9.251 -12.581 5.193 1.00 1.86 H new ATOM 0 HG SER A 6 -8.008 -12.404 7.144 1.00 2.59 H new ATOM 78 N ASP A 7 -12.907 -10.958 4.977 1.00 1.22 N ATOM 79 CA ASP A 7 -14.068 -11.344 4.177 1.00 1.25 C ATOM 80 C ASP A 7 -15.297 -10.540 4.588 1.00 1.28 C ATOM 81 O ASP A 7 -16.055 -10.953 5.466 1.00 1.58 O ATOM 82 CB ASP A 7 -14.355 -12.840 4.330 1.00 1.48 C ATOM 83 CG ASP A 7 -15.550 -13.284 3.507 1.00 1.96 C ATOM 84 OD1 ASP A 7 -15.399 -13.447 2.279 1.00 2.10 O ATOM 85 OD2 ASP A 7 -16.638 -13.470 4.093 1.00 2.67 O ATOM 0 H ASP A 7 -13.100 -10.236 5.671 1.00 1.22 H new ATOM 0 HA ASP A 7 -13.841 -11.132 3.132 1.00 1.25 H new ATOM 0 HB2 ASP A 7 -13.476 -13.409 4.027 1.00 1.48 H new ATOM 0 HB3 ASP A 7 -14.535 -13.068 5.381 1.00 1.48 H new ATOM 90 N ALA A 8 -15.489 -9.390 3.949 1.00 1.14 N ATOM 91 CA ALA A 8 -16.628 -8.529 4.251 1.00 1.29 C ATOM 92 C ALA A 8 -16.902 -7.561 3.107 1.00 1.46 C ATOM 93 O ALA A 8 -16.203 -6.560 2.949 1.00 1.58 O ATOM 94 CB ALA A 8 -16.384 -7.767 5.544 1.00 1.28 C ATOM 0 H ALA A 8 -14.872 -9.033 3.220 1.00 1.14 H new ATOM 0 HA ALA A 8 -17.508 -9.161 4.375 1.00 1.29 H new ATOM 0 HB1 ALA A 8 -17.241 -7.129 5.757 1.00 1.28 H new ATOM 0 HB2 ALA A 8 -16.245 -8.474 6.362 1.00 1.28 H new ATOM 0 HB3 ALA A 8 -15.490 -7.152 5.441 1.00 1.28 H new ATOM 100 N SER A 9 -17.925 -7.867 2.313 1.00 1.63 N ATOM 101 CA SER A 9 -18.296 -7.030 1.177 1.00 1.85 C ATOM 102 C SER A 9 -17.149 -6.933 0.176 1.00 1.76 C ATOM 103 O SER A 9 -17.086 -5.999 -0.623 1.00 1.89 O ATOM 104 CB SER A 9 -18.700 -5.633 1.653 1.00 2.01 C ATOM 105 OG SER A 9 -19.840 -5.690 2.492 1.00 2.55 O ATOM 0 H SER A 9 -18.513 -8.691 2.437 1.00 1.63 H new ATOM 0 HA SER A 9 -19.148 -7.493 0.679 1.00 1.85 H new ATOM 0 HB2 SER A 9 -17.871 -5.175 2.192 1.00 2.01 H new ATOM 0 HB3 SER A 9 -18.910 -4.999 0.792 1.00 2.01 H new ATOM 0 HG SER A 9 -20.077 -4.785 2.784 1.00 2.55 H new ATOM 111 N GLY A 10 -16.244 -7.906 0.228 1.00 1.58 N ATOM 112 CA GLY A 10 -15.112 -7.918 -0.679 1.00 1.55 C ATOM 113 C GLY A 10 -13.922 -7.150 -0.141 1.00 1.38 C ATOM 114 O GLY A 10 -12.956 -6.907 -0.862 1.00 1.82 O ATOM 0 H GLY A 10 -16.275 -8.687 0.883 1.00 1.58 H new ATOM 0 HA2 GLY A 10 -14.817 -8.950 -0.871 1.00 1.55 H new ATOM 0 HA3 GLY A 10 -15.413 -7.490 -1.635 1.00 1.55 H new ATOM 118 N PHE A 11 -13.986 -6.771 1.129 1.00 1.08 N ATOM 119 CA PHE A 11 -12.904 -6.023 1.759 1.00 0.90 C ATOM 120 C PHE A 11 -12.092 -6.915 2.690 1.00 0.71 C ATOM 121 O PHE A 11 -12.408 -7.050 3.873 1.00 0.83 O ATOM 122 CB PHE A 11 -13.461 -4.828 2.533 1.00 1.02 C ATOM 123 CG PHE A 11 -14.056 -3.769 1.651 1.00 1.18 C ATOM 124 CD1 PHE A 11 -13.244 -2.901 0.939 1.00 1.05 C ATOM 125 CD2 PHE A 11 -15.431 -3.642 1.532 1.00 1.52 C ATOM 126 CE1 PHE A 11 -13.790 -1.926 0.126 1.00 1.24 C ATOM 127 CE2 PHE A 11 -15.984 -2.669 0.721 1.00 1.70 C ATOM 128 CZ PHE A 11 -15.155 -1.808 0.015 1.00 1.55 C ATOM 0 H PHE A 11 -14.776 -6.969 1.744 1.00 1.08 H new ATOM 0 HA PHE A 11 -12.245 -5.659 0.971 1.00 0.90 H new ATOM 0 HB2 PHE A 11 -14.222 -5.179 3.230 1.00 1.02 H new ATOM 0 HB3 PHE A 11 -12.662 -4.387 3.129 1.00 1.02 H new ATOM 0 HD1 PHE A 11 -12.171 -2.988 1.020 1.00 1.05 H new ATOM 0 HD2 PHE A 11 -16.078 -4.311 2.080 1.00 1.52 H new ATOM 0 HE1 PHE A 11 -13.144 -1.256 -0.422 1.00 1.24 H new ATOM 0 HE2 PHE A 11 -17.057 -2.579 0.637 1.00 1.70 H new ATOM 0 HZ PHE A 11 -15.582 -1.046 -0.621 1.00 1.55 H new ATOM 138 N SER A 12 -11.043 -7.520 2.145 1.00 0.55 N ATOM 139 CA SER A 12 -10.176 -8.399 2.917 1.00 0.45 C ATOM 140 C SER A 12 -8.803 -7.762 3.115 1.00 0.39 C ATOM 141 O SER A 12 -8.285 -7.085 2.222 1.00 0.38 O ATOM 142 CB SER A 12 -10.035 -9.751 2.216 1.00 0.51 C ATOM 143 OG SER A 12 -9.134 -10.595 2.911 1.00 0.90 O ATOM 0 H SER A 12 -10.772 -7.416 1.167 1.00 0.55 H new ATOM 0 HA SER A 12 -10.628 -8.555 3.897 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.011 -10.233 2.149 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.683 -9.600 1.196 1.00 0.51 H new ATOM 0 HG SER A 12 -9.063 -11.453 2.443 1.00 0.90 H new ATOM 149 N LEU A 13 -8.221 -7.979 4.290 1.00 0.41 N ATOM 150 CA LEU A 13 -6.909 -7.427 4.608 1.00 0.40 C ATOM 151 C LEU A 13 -5.798 -8.325 4.080 1.00 0.45 C ATOM 152 O LEU A 13 -5.714 -9.501 4.434 1.00 0.68 O ATOM 153 CB LEU A 13 -6.759 -7.244 6.120 1.00 0.56 C ATOM 154 CG LEU A 13 -7.749 -6.270 6.759 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.623 -6.300 8.274 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.520 -4.863 6.233 1.00 0.79 C ATOM 0 H LEU A 13 -8.637 -8.533 5.038 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.826 -6.454 4.123 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.869 -8.216 6.600 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.747 -6.898 6.329 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.760 -6.579 6.493 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.335 -5.601 8.712 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.833 -7.306 8.637 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.611 -6.015 8.561 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.232 -4.181 6.697 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.505 -4.546 6.472 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.658 -4.852 5.152 1.00 0.79 H new ATOM 168 N TYR A 14 -4.947 -7.762 3.230 1.00 0.36 N ATOM 169 CA TYR A 14 -3.839 -8.507 2.647 1.00 0.50 C ATOM 170 C TYR A 14 -2.499 -7.935 3.101 1.00 0.31 C ATOM 171 O TYR A 14 -2.385 -6.741 3.377 1.00 0.37 O ATOM 172 CB TYR A 14 -3.938 -8.482 1.121 1.00 0.80 C ATOM 173 CG TYR A 14 -5.106 -9.278 0.583 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.978 -10.632 0.283 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.338 -8.674 0.372 1.00 0.71 C ATOM 176 CE1 TYR A 14 -6.048 -11.355 -0.211 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.411 -9.391 -0.121 1.00 1.34 C ATOM 178 CZ TYR A 14 -7.246 -10.754 -0.406 1.00 1.98 C ATOM 179 OH TYR A 14 -8.326 -11.447 -0.903 1.00 2.73 O ATOM 0 H TYR A 14 -5.004 -6.789 2.929 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.899 -9.540 2.990 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.027 -7.448 0.787 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.014 -8.875 0.698 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -4.029 -11.124 0.438 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.460 -7.625 0.597 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.928 -12.403 -0.442 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.363 -8.909 -0.285 1.00 1.34 H new ATOM 0 HH TYR A 14 -9.058 -11.423 -0.252 1.00 2.73 H new ATOM 189 N SER A 15 -1.486 -8.794 3.181 1.00 0.43 N ATOM 190 CA SER A 15 -0.157 -8.369 3.607 1.00 0.38 C ATOM 191 C SER A 15 0.933 -9.162 2.893 1.00 0.33 C ATOM 192 O SER A 15 0.820 -10.376 2.722 1.00 0.41 O ATOM 193 CB SER A 15 -0.011 -8.533 5.122 1.00 0.59 C ATOM 194 OG SER A 15 -0.183 -9.886 5.507 1.00 1.19 O ATOM 0 H SER A 15 -1.560 -9.786 2.957 1.00 0.43 H new ATOM 0 HA SER A 15 -0.041 -7.318 3.344 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.973 -8.185 5.436 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.747 -7.910 5.631 1.00 0.59 H new ATOM 0 HG SER A 15 0.467 -10.113 6.205 1.00 1.19 H new ATOM 200 N VAL A 16 1.988 -8.465 2.477 1.00 0.32 N ATOM 201 CA VAL A 16 3.105 -9.100 1.785 1.00 0.33 C ATOM 202 C VAL A 16 4.440 -8.570 2.303 1.00 0.31 C ATOM 203 O VAL A 16 4.593 -7.371 2.536 1.00 0.44 O ATOM 204 CB VAL A 16 3.033 -8.873 0.262 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.145 -9.633 -0.445 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.672 -9.285 -0.279 1.00 0.56 C ATOM 0 H VAL A 16 2.092 -7.459 2.608 1.00 0.32 H new ATOM 0 HA VAL A 16 3.033 -10.169 1.986 1.00 0.33 H new ATOM 0 HB VAL A 16 3.168 -7.809 0.068 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.078 -9.460 -1.519 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.112 -9.285 -0.081 1.00 0.53 H new ATOM 0 HG13 VAL A 16 4.043 -10.699 -0.242 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.642 -9.117 -1.356 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.503 -10.342 -0.072 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.894 -8.692 0.203 1.00 0.56 H new ATOM 216 N GLU A 17 5.402 -9.470 2.477 1.00 0.33 N ATOM 217 CA GLU A 17 6.724 -9.092 2.966 1.00 0.34 C ATOM 218 C GLU A 17 7.656 -8.741 1.810 1.00 0.32 C ATOM 219 O GLU A 17 8.030 -9.603 1.015 1.00 0.38 O ATOM 220 CB GLU A 17 7.332 -10.224 3.797 1.00 0.45 C ATOM 221 CG GLU A 17 6.666 -10.417 5.152 1.00 0.71 C ATOM 222 CD GLU A 17 5.202 -10.789 5.040 1.00 1.18 C ATOM 223 OE1 GLU A 17 4.907 -11.986 4.843 1.00 1.42 O ATOM 224 OE2 GLU A 17 4.348 -9.883 5.149 1.00 1.74 O ATOM 0 H GLU A 17 5.292 -10.466 2.287 1.00 0.33 H new ATOM 0 HA GLU A 17 6.607 -8.210 3.596 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.263 -11.154 3.233 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.392 -10.022 3.949 1.00 0.45 H new ATOM 0 HG2 GLU A 17 7.193 -11.196 5.703 1.00 0.71 H new ATOM 0 HG3 GLU A 17 6.759 -9.499 5.731 1.00 0.71 H new ATOM 231 N LEU A 18 8.025 -7.467 1.725 1.00 0.31 N ATOM 232 CA LEU A 18 8.918 -6.995 0.673 1.00 0.34 C ATOM 233 C LEU A 18 10.231 -6.490 1.265 1.00 0.38 C ATOM 234 O LEU A 18 10.255 -5.494 1.987 1.00 0.68 O ATOM 235 CB LEU A 18 8.244 -5.880 -0.135 1.00 0.40 C ATOM 236 CG LEU A 18 7.696 -6.301 -1.502 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.825 -6.754 -2.415 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.657 -7.403 -1.353 1.00 0.71 C ATOM 0 H LEU A 18 7.719 -6.742 2.373 1.00 0.31 H new ATOM 0 HA LEU A 18 9.136 -7.832 0.010 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.425 -5.470 0.456 1.00 0.40 H new ATOM 0 HB3 LEU A 18 8.964 -5.075 -0.283 1.00 0.40 H new ATOM 0 HG LEU A 18 7.212 -5.435 -1.954 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.416 -7.049 -3.381 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.531 -5.935 -2.555 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.339 -7.603 -1.964 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.282 -7.685 -2.337 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.113 -8.271 -0.876 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.831 -7.044 -0.740 1.00 0.71 H new ATOM 250 N PHE A 19 11.320 -7.188 0.958 1.00 0.41 N ATOM 251 CA PHE A 19 12.637 -6.813 1.463 1.00 0.43 C ATOM 252 C PHE A 19 13.392 -5.967 0.446 1.00 0.49 C ATOM 253 O PHE A 19 13.420 -6.287 -0.743 1.00 0.59 O ATOM 254 CB PHE A 19 13.450 -8.065 1.811 1.00 0.48 C ATOM 255 CG PHE A 19 13.680 -8.983 0.644 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.719 -9.910 0.272 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.859 -8.919 -0.084 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.928 -10.754 -0.803 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.073 -9.759 -1.159 1.00 2.08 C ATOM 260 CZ PHE A 19 14.106 -10.678 -1.520 1.00 1.94 C ATOM 0 H PHE A 19 11.317 -8.016 0.362 1.00 0.41 H new ATOM 0 HA PHE A 19 12.495 -6.218 2.365 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.415 -7.759 2.216 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.934 -8.615 2.598 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.796 -9.974 0.829 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.619 -8.203 0.193 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.171 -11.472 -1.082 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.995 -9.698 -1.717 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.271 -11.335 -2.361 1.00 1.94 H new ATOM 270 N ARG A 20 14.001 -4.881 0.915 1.00 0.52 N ATOM 271 CA ARG A 20 14.758 -4.000 0.029 1.00 0.66 C ATOM 272 C ARG A 20 16.255 -4.083 0.319 1.00 0.68 C ATOM 273 O ARG A 20 16.785 -3.312 1.117 1.00 0.83 O ATOM 274 CB ARG A 20 14.280 -2.554 0.172 1.00 0.73 C ATOM 275 CG ARG A 20 14.656 -1.674 -1.011 1.00 0.99 C ATOM 276 CD ARG A 20 14.323 -0.214 -0.751 1.00 1.19 C ATOM 277 NE ARG A 20 15.148 0.352 0.313 1.00 1.60 N ATOM 278 CZ ARG A 20 15.592 1.605 0.316 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.284 2.425 -0.681 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.343 2.041 1.318 1.00 3.06 N ATOM 0 H ARG A 20 13.986 -4.592 1.893 1.00 0.52 H new ATOM 0 HA ARG A 20 14.586 -4.331 -0.995 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.196 -2.547 0.291 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.703 -2.128 1.082 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.722 -1.774 -1.215 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.128 -2.015 -1.901 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.467 0.360 -1.666 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.271 -0.124 -0.481 1.00 1.19 H new ATOM 0 HE ARG A 20 15.398 -0.249 1.099 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.705 2.094 -1.453 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.626 3.386 -0.675 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.581 1.415 2.087 1.00 3.06 H new ATOM 0 HH22 ARG A 20 16.683 3.003 1.319 1.00 3.06 H new ATOM 294 N GLU A 21 16.933 -5.022 -0.334 1.00 0.82 N ATOM 295 CA GLU A 21 18.370 -5.194 -0.142 1.00 0.93 C ATOM 296 C GLU A 21 19.000 -5.907 -1.336 1.00 1.16 C ATOM 297 O GLU A 21 19.519 -7.017 -1.210 1.00 1.57 O ATOM 298 CB GLU A 21 18.642 -5.976 1.145 1.00 1.09 C ATOM 299 CG GLU A 21 20.103 -5.963 1.568 1.00 1.62 C ATOM 300 CD GLU A 21 20.340 -6.719 2.862 1.00 2.00 C ATOM 301 OE1 GLU A 21 20.137 -6.127 3.942 1.00 2.58 O ATOM 302 OE2 GLU A 21 20.729 -7.905 2.793 1.00 2.21 O ATOM 0 H GLU A 21 16.513 -5.673 -0.998 1.00 0.82 H new ATOM 0 HA GLU A 21 18.822 -4.206 -0.059 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.036 -5.558 1.949 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.321 -7.009 1.007 1.00 1.09 H new ATOM 0 HG2 GLU A 21 20.711 -6.403 0.777 1.00 1.62 H new ATOM 0 HG3 GLU A 21 20.434 -4.931 1.688 1.00 1.62 H new ATOM 309 N LYS A 22 18.952 -5.258 -2.496 1.00 1.11 N ATOM 310 CA LYS A 22 19.523 -5.820 -3.716 1.00 1.40 C ATOM 311 C LYS A 22 20.101 -4.724 -4.595 1.00 1.31 C ATOM 312 O LYS A 22 20.055 -4.798 -5.823 1.00 1.38 O ATOM 313 CB LYS A 22 18.467 -6.599 -4.494 1.00 1.65 C ATOM 314 CG LYS A 22 18.053 -7.907 -3.837 1.00 2.00 C ATOM 315 CD LYS A 22 19.219 -8.881 -3.748 1.00 2.54 C ATOM 316 CE LYS A 22 18.812 -10.181 -3.074 1.00 3.05 C ATOM 317 NZ LYS A 22 19.957 -11.124 -2.956 1.00 3.72 N ATOM 0 H LYS A 22 18.523 -4.341 -2.617 1.00 1.11 H new ATOM 0 HA LYS A 22 20.325 -6.500 -3.428 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.585 -5.971 -4.617 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.849 -6.811 -5.493 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.668 -7.707 -2.837 1.00 2.00 H new ATOM 0 HG3 LYS A 22 17.242 -8.360 -4.406 1.00 2.00 H new ATOM 0 HD2 LYS A 22 19.595 -9.092 -4.749 1.00 2.54 H new ATOM 0 HD3 LYS A 22 20.036 -8.422 -3.191 1.00 2.54 H new ATOM 0 HE2 LYS A 22 18.414 -9.967 -2.082 1.00 3.05 H new ATOM 0 HE3 LYS A 22 18.011 -10.651 -3.645 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 19.640 -11.999 -2.491 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 20.321 -11.348 -3.904 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 20.711 -10.685 -2.390 1.00 3.72 H new ATOM 331 N ASP A 23 20.642 -3.712 -3.945 1.00 1.46 N ATOM 332 CA ASP A 23 21.246 -2.574 -4.632 1.00 1.51 C ATOM 333 C ASP A 23 20.227 -1.878 -5.534 1.00 1.31 C ATOM 334 O ASP A 23 20.592 -1.227 -6.514 1.00 1.58 O ATOM 335 CB ASP A 23 22.455 -3.030 -5.457 1.00 1.91 C ATOM 336 CG ASP A 23 23.291 -1.867 -5.959 1.00 2.29 C ATOM 337 OD1 ASP A 23 24.103 -1.335 -5.174 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.132 -1.489 -7.139 1.00 2.87 O ATOM 0 H ASP A 23 20.678 -3.650 -2.928 1.00 1.46 H new ATOM 0 HA ASP A 23 21.580 -1.861 -3.878 1.00 1.51 H new ATOM 0 HB2 ASP A 23 23.079 -3.685 -4.849 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.109 -3.618 -6.307 1.00 1.91 H new ATOM 343 N THR A 24 18.949 -2.016 -5.196 1.00 1.02 N ATOM 344 CA THR A 24 17.883 -1.399 -5.980 1.00 0.98 C ATOM 345 C THR A 24 17.524 -0.022 -5.435 1.00 1.01 C ATOM 346 O THR A 24 17.069 0.851 -6.175 1.00 1.16 O ATOM 347 CB THR A 24 16.619 -2.277 -6.002 1.00 1.17 C ATOM 348 OG1 THR A 24 16.127 -2.464 -4.671 1.00 1.38 O ATOM 349 CG2 THR A 24 16.913 -3.630 -6.635 1.00 1.19 C ATOM 0 H THR A 24 18.626 -2.548 -4.387 1.00 1.02 H new ATOM 0 HA THR A 24 18.261 -1.296 -6.997 1.00 0.98 H new ATOM 0 HB THR A 24 15.861 -1.770 -6.599 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.249 -2.037 -4.584 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.006 -4.234 -6.640 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.258 -3.485 -7.659 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.686 -4.141 -6.060 1.00 1.19 H new ATOM 357 N SER A 25 17.731 0.158 -4.130 1.00 1.05 N ATOM 358 CA SER A 25 17.442 1.423 -3.456 1.00 1.35 C ATOM 359 C SER A 25 16.040 1.927 -3.789 1.00 1.17 C ATOM 360 O SER A 25 15.769 3.125 -3.711 1.00 1.39 O ATOM 361 CB SER A 25 18.483 2.481 -3.832 1.00 1.79 C ATOM 362 OG SER A 25 18.421 2.797 -5.212 1.00 2.45 O ATOM 0 H SER A 25 18.102 -0.565 -3.514 1.00 1.05 H new ATOM 0 HA SER A 25 17.489 1.242 -2.382 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.317 3.383 -3.243 1.00 1.79 H new ATOM 0 HB3 SER A 25 19.480 2.117 -3.585 1.00 1.79 H new ATOM 0 HG SER A 25 17.632 2.373 -5.609 1.00 2.45 H new ATOM 368 N SER A 26 15.153 1.007 -4.154 1.00 0.84 N ATOM 369 CA SER A 26 13.780 1.362 -4.496 1.00 0.72 C ATOM 370 C SER A 26 12.861 0.152 -4.398 1.00 0.58 C ATOM 371 O SER A 26 13.261 -0.973 -4.700 1.00 0.69 O ATOM 372 CB SER A 26 13.722 1.944 -5.909 1.00 0.81 C ATOM 373 OG SER A 26 14.182 1.008 -6.868 1.00 1.40 O ATOM 0 H SER A 26 15.360 0.010 -4.221 1.00 0.84 H new ATOM 0 HA SER A 26 13.438 2.112 -3.783 1.00 0.72 H new ATOM 0 HB2 SER A 26 12.698 2.235 -6.143 1.00 0.81 H new ATOM 0 HB3 SER A 26 14.330 2.848 -5.958 1.00 0.81 H new ATOM 0 HG SER A 26 15.144 0.863 -6.748 1.00 1.40 H new ATOM 379 N LEU A 27 11.624 0.391 -3.973 1.00 0.42 N ATOM 380 CA LEU A 27 10.641 -0.676 -3.836 1.00 0.32 C ATOM 381 C LEU A 27 9.676 -0.673 -5.016 1.00 0.29 C ATOM 382 O LEU A 27 9.080 -1.698 -5.344 1.00 0.41 O ATOM 383 CB LEU A 27 9.864 -0.529 -2.525 1.00 0.35 C ATOM 384 CG LEU A 27 10.648 -0.889 -1.260 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.837 -0.556 -0.018 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.028 -2.362 -1.268 1.00 0.43 C ATOM 0 H LEU A 27 11.279 1.316 -3.717 1.00 0.42 H new ATOM 0 HA LEU A 27 11.174 -1.626 -3.822 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.519 0.501 -2.439 1.00 0.35 H new ATOM 0 HB3 LEU A 27 8.976 -1.159 -2.575 1.00 0.35 H new ATOM 0 HG LEU A 27 11.563 -0.298 -1.243 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.410 -0.818 0.872 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.614 0.511 -0.004 1.00 0.45 H new ATOM 0 HD13 LEU A 27 8.905 -1.121 -0.030 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.585 -2.599 -0.361 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.125 -2.971 -1.309 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.648 -2.573 -2.140 1.00 0.43 H new ATOM 398 N GLY A 28 9.531 0.485 -5.650 1.00 0.29 N ATOM 399 CA GLY A 28 8.643 0.601 -6.791 1.00 0.31 C ATOM 400 C GLY A 28 7.251 1.056 -6.403 1.00 0.29 C ATOM 401 O GLY A 28 6.431 1.365 -7.267 1.00 0.52 O ATOM 0 H GLY A 28 10.013 1.346 -5.394 1.00 0.29 H new ATOM 0 HA2 GLY A 28 9.066 1.307 -7.505 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.578 -0.363 -7.296 1.00 0.31 H new ATOM 405 N ILE A 29 6.984 1.095 -5.103 1.00 0.35 N ATOM 406 CA ILE A 29 5.682 1.517 -4.605 1.00 0.32 C ATOM 407 C ILE A 29 5.358 2.935 -5.064 1.00 0.30 C ATOM 408 O ILE A 29 5.950 3.904 -4.587 1.00 0.35 O ATOM 409 CB ILE A 29 5.630 1.457 -3.066 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.982 0.048 -2.582 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.254 1.871 -2.564 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.098 -0.071 -1.078 1.00 0.84 C ATOM 0 H ILE A 29 7.652 0.840 -4.376 1.00 0.35 H new ATOM 0 HA ILE A 29 4.941 0.829 -5.012 1.00 0.32 H new ATOM 0 HB ILE A 29 6.363 2.155 -2.662 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.220 -0.648 -2.934 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.926 -0.256 -3.035 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.234 1.823 -1.475 1.00 0.36 H new ATOM 0 HG22 ILE A 29 4.041 2.890 -2.886 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.500 1.197 -2.971 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.349 -1.098 -0.813 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.880 0.598 -0.719 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.148 0.201 -0.617 1.00 0.84 H new ATOM 424 N SER A 30 4.410 3.049 -5.990 1.00 0.27 N ATOM 425 CA SER A 30 4.010 4.349 -6.516 1.00 0.29 C ATOM 426 C SER A 30 2.592 4.698 -6.076 1.00 0.28 C ATOM 427 O SER A 30 1.621 4.094 -6.534 1.00 0.35 O ATOM 428 CB SER A 30 4.106 4.353 -8.042 1.00 0.33 C ATOM 429 OG SER A 30 3.739 5.615 -8.575 1.00 0.95 O ATOM 0 H SER A 30 3.906 2.258 -6.391 1.00 0.27 H new ATOM 0 HA SER A 30 4.688 5.104 -6.117 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.124 4.109 -8.346 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.457 3.579 -8.452 1.00 0.33 H new ATOM 0 HG SER A 30 3.811 5.591 -9.552 1.00 0.95 H new ATOM 435 N ILE A 31 2.482 5.682 -5.188 1.00 0.25 N ATOM 436 CA ILE A 31 1.188 6.112 -4.675 1.00 0.27 C ATOM 437 C ILE A 31 0.722 7.394 -5.358 1.00 0.31 C ATOM 438 O ILE A 31 1.470 8.014 -6.115 1.00 0.41 O ATOM 439 CB ILE A 31 1.239 6.339 -3.152 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.299 7.389 -2.806 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.527 5.027 -2.437 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.348 7.747 -1.335 1.00 0.39 C ATOM 0 H ILE A 31 3.277 6.197 -4.809 1.00 0.25 H new ATOM 0 HA ILE A 31 0.478 5.314 -4.892 1.00 0.27 H new ATOM 0 HB ILE A 31 0.270 6.709 -2.818 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.277 7.019 -3.113 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.104 8.292 -3.384 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.561 5.199 -1.361 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.740 4.308 -2.665 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.487 4.633 -2.772 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.122 8.496 -1.168 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.383 8.148 -1.026 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.574 6.855 -0.751 1.00 0.39 H new ATOM 454 N SER A 32 -0.517 7.787 -5.083 1.00 0.37 N ATOM 455 CA SER A 32 -1.085 8.994 -5.675 1.00 0.44 C ATOM 456 C SER A 32 -2.042 9.679 -4.704 1.00 0.55 C ATOM 457 O SER A 32 -2.838 9.023 -4.032 1.00 0.59 O ATOM 458 CB SER A 32 -1.818 8.649 -6.972 1.00 0.48 C ATOM 459 OG SER A 32 -0.934 8.073 -7.919 1.00 1.32 O ATOM 0 H SER A 32 -1.147 7.288 -4.455 1.00 0.37 H new ATOM 0 HA SER A 32 -0.268 9.681 -5.896 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.632 7.955 -6.760 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.268 9.550 -7.390 1.00 0.48 H new ATOM 0 HG SER A 32 -1.238 8.291 -8.825 1.00 1.32 H new ATOM 465 N GLY A 33 -1.958 11.005 -4.638 1.00 0.70 N ATOM 466 CA GLY A 33 -2.819 11.762 -3.747 1.00 0.87 C ATOM 467 C GLY A 33 -4.237 11.882 -4.270 1.00 0.88 C ATOM 468 O GLY A 33 -4.486 11.677 -5.457 1.00 0.95 O ATOM 0 H GLY A 33 -1.308 11.569 -5.186 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -2.836 11.281 -2.769 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.402 12.759 -3.605 1.00 0.87 H new ATOM 472 N MET A 34 -5.167 12.215 -3.381 1.00 1.12 N ATOM 473 CA MET A 34 -6.569 12.363 -3.759 1.00 1.25 C ATOM 474 C MET A 34 -6.988 13.828 -3.733 1.00 1.38 C ATOM 475 O MET A 34 -6.599 14.580 -2.839 1.00 1.63 O ATOM 476 CB MET A 34 -7.462 11.549 -2.820 1.00 1.56 C ATOM 477 CG MET A 34 -8.947 11.697 -3.114 1.00 1.77 C ATOM 478 SD MET A 34 -9.982 10.716 -2.009 1.00 2.04 S ATOM 479 CE MET A 34 -9.502 9.056 -2.478 1.00 1.98 C ATOM 0 H MET A 34 -4.976 12.388 -2.394 1.00 1.12 H new ATOM 0 HA MET A 34 -6.686 11.988 -4.776 1.00 1.25 H new ATOM 0 HB2 MET A 34 -7.188 10.496 -2.893 1.00 1.56 H new ATOM 0 HB3 MET A 34 -7.271 11.857 -1.792 1.00 1.56 H new ATOM 0 HG2 MET A 34 -9.226 12.747 -3.028 1.00 1.77 H new ATOM 0 HG3 MET A 34 -9.140 11.399 -4.145 1.00 1.77 H new ATOM 0 HE1 MET A 34 -10.256 8.348 -2.133 1.00 1.98 H new ATOM 0 HE2 MET A 34 -9.416 8.995 -3.563 1.00 1.98 H new ATOM 0 HE3 MET A 34 -8.542 8.813 -2.024 1.00 1.98 H new ATOM 489 N ARG A 35 -7.783 14.228 -4.721 1.00 1.52 N ATOM 490 CA ARG A 35 -8.261 15.603 -4.811 1.00 1.79 C ATOM 491 C ARG A 35 -9.427 15.707 -5.790 1.00 2.00 C ATOM 492 O ARG A 35 -9.370 15.178 -6.901 1.00 2.40 O ATOM 493 CB ARG A 35 -7.125 16.544 -5.233 1.00 2.21 C ATOM 494 CG ARG A 35 -6.621 16.320 -6.654 1.00 2.56 C ATOM 495 CD ARG A 35 -5.742 15.084 -6.753 1.00 2.88 C ATOM 496 NE ARG A 35 -5.279 14.850 -8.118 1.00 3.69 N ATOM 497 CZ ARG A 35 -4.263 14.047 -8.424 1.00 4.52 C ATOM 498 NH1 ARG A 35 -3.610 13.402 -7.467 1.00 4.68 N ATOM 499 NH2 ARG A 35 -3.901 13.886 -9.690 1.00 5.46 N ATOM 0 H ARG A 35 -8.110 13.619 -5.471 1.00 1.52 H new ATOM 0 HA ARG A 35 -8.612 15.905 -3.824 1.00 1.79 H new ATOM 0 HB2 ARG A 35 -7.469 17.574 -5.140 1.00 2.21 H new ATOM 0 HB3 ARG A 35 -6.292 16.422 -4.541 1.00 2.21 H new ATOM 0 HG2 ARG A 35 -7.471 16.217 -7.329 1.00 2.56 H new ATOM 0 HG3 ARG A 35 -6.058 17.194 -6.982 1.00 2.56 H new ATOM 0 HD2 ARG A 35 -4.882 15.197 -6.093 1.00 2.88 H new ATOM 0 HD3 ARG A 35 -6.299 14.214 -6.405 1.00 2.88 H new ATOM 0 HE ARG A 35 -5.761 15.329 -8.879 1.00 3.69 H new ATOM 0 HH11 ARG A 35 -3.886 13.520 -6.492 1.00 4.68 H new ATOM 0 HH12 ARG A 35 -2.832 12.787 -7.706 1.00 4.68 H new ATOM 0 HH21 ARG A 35 -4.402 14.378 -10.430 1.00 5.46 H new ATOM 0 HH22 ARG A 35 -3.122 13.270 -9.923 1.00 5.46 H new ATOM 513 N ASP A 36 -10.490 16.386 -5.366 1.00 2.20 N ATOM 514 CA ASP A 36 -11.674 16.559 -6.201 1.00 2.60 C ATOM 515 C ASP A 36 -12.374 17.877 -5.886 1.00 2.84 C ATOM 516 O ASP A 36 -12.393 18.794 -6.707 1.00 3.13 O ATOM 517 CB ASP A 36 -12.646 15.393 -5.999 1.00 3.10 C ATOM 518 CG ASP A 36 -12.068 14.069 -6.456 1.00 3.69 C ATOM 519 OD1 ASP A 36 -11.429 13.382 -5.631 1.00 4.29 O ATOM 520 OD2 ASP A 36 -12.253 13.718 -7.641 1.00 4.03 O ATOM 0 H ASP A 36 -10.555 16.826 -4.448 1.00 2.20 H new ATOM 0 HA ASP A 36 -11.351 16.577 -7.242 1.00 2.60 H new ATOM 0 HB2 ASP A 36 -12.912 15.325 -4.944 1.00 3.10 H new ATOM 0 HB3 ASP A 36 -13.566 15.593 -6.548 1.00 3.10 H new ATOM 525 N GLN A 37 -12.948 17.963 -4.689 1.00 3.14 N ATOM 526 CA GLN A 37 -13.653 19.166 -4.261 1.00 3.57 C ATOM 527 C GLN A 37 -13.115 19.670 -2.926 1.00 3.76 C ATOM 528 O GLN A 37 -12.727 18.881 -2.063 1.00 4.28 O ATOM 529 CB GLN A 37 -15.153 18.886 -4.144 1.00 4.06 C ATOM 530 CG GLN A 37 -15.482 17.715 -3.233 1.00 4.18 C ATOM 531 CD GLN A 37 -16.972 17.453 -3.136 1.00 4.68 C ATOM 532 OE1 GLN A 37 -17.534 16.693 -3.926 1.00 4.94 O ATOM 533 NE2 GLN A 37 -17.621 18.081 -2.163 1.00 5.25 N ATOM 0 H GLN A 37 -12.938 17.213 -3.998 1.00 3.14 H new ATOM 0 HA GLN A 37 -13.489 19.939 -5.012 1.00 3.57 H new ATOM 0 HB2 GLN A 37 -15.653 19.779 -3.769 1.00 4.06 H new ATOM 0 HB3 GLN A 37 -15.556 18.688 -5.137 1.00 4.06 H new ATOM 0 HG2 GLN A 37 -14.983 16.820 -3.603 1.00 4.18 H new ATOM 0 HG3 GLN A 37 -15.086 17.912 -2.237 1.00 4.18 H new ATOM 0 HE21 GLN A 37 -17.116 18.702 -1.531 1.00 5.25 H new ATOM 0 HE22 GLN A 37 -18.625 17.943 -2.048 1.00 5.25 H new ATOM 542 N SER A 38 -13.094 20.989 -2.766 1.00 3.75 N ATOM 543 CA SER A 38 -12.607 21.604 -1.537 1.00 4.18 C ATOM 544 C SER A 38 -13.514 21.256 -0.361 1.00 4.18 C ATOM 545 O SER A 38 -14.533 21.910 -0.136 1.00 4.39 O ATOM 546 CB SER A 38 -12.521 23.123 -1.700 1.00 4.65 C ATOM 547 OG SER A 38 -11.639 23.476 -2.751 1.00 4.88 O ATOM 0 H SER A 38 -13.409 21.653 -3.473 1.00 3.75 H new ATOM 0 HA SER A 38 -11.610 21.212 -1.333 1.00 4.18 H new ATOM 0 HB2 SER A 38 -13.513 23.526 -1.903 1.00 4.65 H new ATOM 0 HB3 SER A 38 -12.179 23.573 -0.768 1.00 4.65 H new ATOM 0 HG SER A 38 -11.604 24.452 -2.835 1.00 4.88 H new ATOM 553 N THR A 39 -13.137 20.222 0.383 1.00 4.37 N ATOM 554 CA THR A 39 -13.914 19.784 1.535 1.00 4.62 C ATOM 555 C THR A 39 -13.518 20.552 2.790 1.00 4.92 C ATOM 556 O THR A 39 -12.356 20.920 2.965 1.00 5.20 O ATOM 557 CB THR A 39 -13.736 18.276 1.791 1.00 4.99 C ATOM 558 OG1 THR A 39 -12.348 17.972 1.982 1.00 5.27 O ATOM 559 CG2 THR A 39 -14.284 17.460 0.629 1.00 5.22 C ATOM 0 H THR A 39 -12.297 19.671 0.208 1.00 4.37 H new ATOM 0 HA THR A 39 -14.960 19.985 1.306 1.00 4.62 H new ATOM 0 HB THR A 39 -14.293 18.015 2.691 1.00 4.99 H new ATOM 0 HG1 THR A 39 -12.256 17.050 2.302 1.00 5.27 H new ATOM 0 HG21 THR A 39 -14.147 16.398 0.833 1.00 5.22 H new ATOM 0 HG22 THR A 39 -15.346 17.671 0.505 1.00 5.22 H new ATOM 0 HG23 THR A 39 -13.752 17.725 -0.285 1.00 5.22 H new ATOM 567 N THR A 40 -14.494 20.792 3.661 1.00 5.20 N ATOM 568 CA THR A 40 -14.254 21.519 4.901 1.00 5.70 C ATOM 569 C THR A 40 -13.661 20.604 5.970 1.00 5.69 C ATOM 570 O THR A 40 -13.448 21.020 7.109 1.00 6.22 O ATOM 571 CB THR A 40 -15.550 22.151 5.442 1.00 6.36 C ATOM 572 OG1 THR A 40 -15.281 22.870 6.651 1.00 6.91 O ATOM 573 CG2 THR A 40 -16.604 21.085 5.706 1.00 6.50 C ATOM 0 H THR A 40 -15.460 20.492 3.529 1.00 5.20 H new ATOM 0 HA THR A 40 -13.542 22.311 4.670 1.00 5.70 H new ATOM 0 HB THR A 40 -15.931 22.840 4.688 1.00 6.36 H new ATOM 0 HG1 THR A 40 -14.533 22.448 7.123 1.00 6.91 H new ATOM 0 HG21 THR A 40 -17.510 21.556 6.087 1.00 6.50 H new ATOM 0 HG22 THR A 40 -16.831 20.560 4.778 1.00 6.50 H new ATOM 0 HG23 THR A 40 -16.227 20.375 6.442 1.00 6.50 H new ATOM 581 N GLY A 41 -13.396 19.357 5.591 1.00 5.25 N ATOM 582 CA GLY A 41 -12.828 18.400 6.524 1.00 5.36 C ATOM 583 C GLY A 41 -11.693 17.604 5.912 1.00 4.81 C ATOM 584 O GLY A 41 -10.694 18.174 5.469 1.00 4.96 O ATOM 0 H GLY A 41 -13.565 18.992 4.654 1.00 5.25 H new ATOM 0 HA2 GLY A 41 -12.465 18.928 7.406 1.00 5.36 H new ATOM 0 HA3 GLY A 41 -13.608 17.717 6.860 1.00 5.36 H new ATOM 588 N GLU A 42 -11.844 16.284 5.884 1.00 4.49 N ATOM 589 CA GLU A 42 -10.823 15.408 5.319 1.00 4.09 C ATOM 590 C GLU A 42 -11.345 14.691 4.080 1.00 3.18 C ATOM 591 O GLU A 42 -12.532 14.378 3.985 1.00 3.30 O ATOM 592 CB GLU A 42 -10.365 14.382 6.357 1.00 4.75 C ATOM 593 CG GLU A 42 -9.791 15.005 7.619 1.00 5.90 C ATOM 594 CD GLU A 42 -8.635 15.943 7.332 1.00 6.74 C ATOM 595 OE1 GLU A 42 -7.499 15.452 7.160 1.00 7.22 O ATOM 596 OE2 GLU A 42 -8.865 17.170 7.280 1.00 7.14 O ATOM 0 H GLU A 42 -12.664 15.797 6.246 1.00 4.49 H new ATOM 0 HA GLU A 42 -9.973 16.027 5.030 1.00 4.09 H new ATOM 0 HB2 GLU A 42 -11.210 13.749 6.627 1.00 4.75 H new ATOM 0 HB3 GLU A 42 -9.612 13.734 5.907 1.00 4.75 H new ATOM 0 HG2 GLU A 42 -10.577 15.552 8.140 1.00 5.90 H new ATOM 0 HG3 GLU A 42 -9.455 14.214 8.290 1.00 5.90 H new ATOM 603 N ALA A 43 -10.448 14.432 3.134 1.00 2.78 N ATOM 604 CA ALA A 43 -10.813 13.750 1.898 1.00 2.36 C ATOM 605 C ALA A 43 -9.575 13.326 1.115 1.00 2.13 C ATOM 606 O ALA A 43 -9.544 13.410 -0.113 1.00 2.67 O ATOM 607 CB ALA A 43 -11.701 14.644 1.045 1.00 3.05 C ATOM 0 H ALA A 43 -9.462 14.685 3.200 1.00 2.78 H new ATOM 0 HA ALA A 43 -11.368 12.849 2.160 1.00 2.36 H new ATOM 0 HB1 ALA A 43 -11.966 14.122 0.125 1.00 3.05 H new ATOM 0 HB2 ALA A 43 -12.608 14.889 1.597 1.00 3.05 H new ATOM 0 HB3 ALA A 43 -11.166 15.562 0.800 1.00 3.05 H new ATOM 613 N THR A 44 -8.555 12.870 1.835 1.00 1.84 N ATOM 614 CA THR A 44 -7.313 12.430 1.210 1.00 1.65 C ATOM 615 C THR A 44 -6.774 11.174 1.887 1.00 1.26 C ATOM 616 O THR A 44 -6.789 11.062 3.112 1.00 1.53 O ATOM 617 CB THR A 44 -6.233 13.529 1.258 1.00 2.07 C ATOM 618 OG1 THR A 44 -5.987 13.915 2.615 1.00 2.30 O ATOM 619 CG2 THR A 44 -6.661 14.744 0.449 1.00 2.53 C ATOM 0 H THR A 44 -8.564 12.796 2.852 1.00 1.84 H new ATOM 0 HA THR A 44 -7.546 12.210 0.168 1.00 1.65 H new ATOM 0 HB THR A 44 -5.318 13.127 0.823 1.00 2.07 H new ATOM 0 HG1 THR A 44 -5.299 14.612 2.637 1.00 2.30 H new ATOM 0 HG21 THR A 44 -5.883 15.506 0.498 1.00 2.53 H new ATOM 0 HG22 THR A 44 -6.819 14.453 -0.589 1.00 2.53 H new ATOM 0 HG23 THR A 44 -7.588 15.145 0.858 1.00 2.53 H new ATOM 627 N GLY A 45 -6.295 10.232 1.079 1.00 1.05 N ATOM 628 CA GLY A 45 -5.759 8.995 1.617 1.00 0.80 C ATOM 629 C GLY A 45 -4.617 8.445 0.786 1.00 0.75 C ATOM 630 O GLY A 45 -4.485 8.771 -0.394 1.00 1.14 O ATOM 0 H GLY A 45 -6.269 10.304 0.062 1.00 1.05 H new ATOM 0 HA2 GLY A 45 -5.412 9.166 2.636 1.00 0.80 H new ATOM 0 HA3 GLY A 45 -6.555 8.252 1.672 1.00 0.80 H new ATOM 634 N ILE A 46 -3.790 7.607 1.405 1.00 0.46 N ATOM 635 CA ILE A 46 -2.651 7.008 0.719 1.00 0.39 C ATOM 636 C ILE A 46 -3.032 5.669 0.097 1.00 0.39 C ATOM 637 O ILE A 46 -3.580 4.795 0.768 1.00 0.57 O ATOM 638 CB ILE A 46 -1.463 6.803 1.682 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.074 8.130 2.343 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.274 6.199 0.947 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.611 9.191 1.365 1.00 0.55 C ATOM 0 H ILE A 46 -3.888 7.328 2.381 1.00 0.46 H new ATOM 0 HA ILE A 46 -2.351 7.698 -0.070 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.769 6.107 2.463 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.930 8.512 2.900 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.280 7.945 3.066 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.553 6.062 1.644 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.558 5.234 0.527 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.035 6.868 0.144 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.354 10.100 1.909 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.265 8.831 0.825 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.411 9.406 0.656 1.00 0.55 H new ATOM 653 N TYR A 47 -2.736 5.516 -1.191 1.00 0.30 N ATOM 654 CA TYR A 47 -3.050 4.284 -1.906 1.00 0.30 C ATOM 655 C TYR A 47 -2.153 4.119 -3.130 1.00 0.26 C ATOM 656 O TYR A 47 -1.833 5.093 -3.813 1.00 0.29 O ATOM 657 CB TYR A 47 -4.523 4.279 -2.328 1.00 0.36 C ATOM 658 CG TYR A 47 -4.904 5.431 -3.231 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.273 6.661 -2.702 1.00 0.43 C ATOM 660 CD2 TYR A 47 -4.899 5.286 -4.613 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.624 7.715 -3.525 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.248 6.335 -5.442 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.610 7.547 -4.893 1.00 0.58 C ATOM 664 OH TYR A 47 -5.958 8.594 -5.715 1.00 0.70 O ATOM 0 H TYR A 47 -2.280 6.229 -1.760 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.869 3.445 -1.234 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.741 3.341 -2.839 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.147 4.308 -1.435 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.286 6.796 -1.631 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.618 4.338 -5.046 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.908 8.666 -3.098 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.237 6.206 -6.514 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.895 8.310 -6.651 1.00 0.70 H new ATOM 674 N VAL A 48 -1.750 2.881 -3.400 1.00 0.26 N ATOM 675 CA VAL A 48 -0.892 2.585 -4.542 1.00 0.25 C ATOM 676 C VAL A 48 -1.717 2.379 -5.806 1.00 0.28 C ATOM 677 O VAL A 48 -2.734 1.685 -5.789 1.00 0.39 O ATOM 678 CB VAL A 48 -0.035 1.330 -4.290 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.769 0.963 -5.530 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.885 1.550 -3.100 1.00 0.29 C ATOM 0 H VAL A 48 -2.004 2.066 -2.842 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.233 3.443 -4.676 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.703 0.499 -4.064 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.366 0.074 -5.327 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.089 0.762 -6.358 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.428 1.790 -5.794 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.485 0.655 -2.933 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.543 2.396 -3.300 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.288 1.757 -2.212 1.00 0.29 H new ATOM 690 N LYS A 49 -1.270 2.984 -6.901 1.00 0.31 N ATOM 691 CA LYS A 49 -1.966 2.870 -8.176 1.00 0.38 C ATOM 692 C LYS A 49 -1.039 2.329 -9.261 1.00 0.32 C ATOM 693 O LYS A 49 -1.499 1.805 -10.276 1.00 0.37 O ATOM 694 CB LYS A 49 -2.524 4.231 -8.598 1.00 0.49 C ATOM 695 CG LYS A 49 -3.362 4.177 -9.865 1.00 0.61 C ATOM 696 CD LYS A 49 -3.887 5.551 -10.252 1.00 0.84 C ATOM 697 CE LYS A 49 -2.767 6.471 -10.713 1.00 1.65 C ATOM 698 NZ LYS A 49 -3.279 7.812 -11.107 1.00 2.40 N ATOM 0 H LYS A 49 -0.428 3.559 -6.931 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.790 2.168 -8.048 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.131 4.633 -7.787 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.696 4.923 -8.749 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.762 3.774 -10.681 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.200 3.495 -9.718 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -4.624 5.448 -11.048 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -4.398 5.999 -9.400 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -2.035 6.582 -9.913 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -2.249 6.017 -11.558 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -2.486 8.410 -11.415 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.958 7.709 -11.888 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -3.751 8.256 -10.294 1.00 2.40 H new ATOM 712 N SER A 50 0.267 2.458 -9.043 1.00 0.28 N ATOM 713 CA SER A 50 1.247 1.983 -10.013 1.00 0.35 C ATOM 714 C SER A 50 2.444 1.331 -9.324 1.00 0.28 C ATOM 715 O SER A 50 2.684 1.543 -8.135 1.00 0.25 O ATOM 716 CB SER A 50 1.722 3.140 -10.894 1.00 0.49 C ATOM 717 OG SER A 50 2.678 2.700 -11.845 1.00 1.28 O ATOM 0 H SER A 50 0.669 2.885 -8.208 1.00 0.28 H new ATOM 0 HA SER A 50 0.762 1.230 -10.634 1.00 0.35 H new ATOM 0 HB2 SER A 50 0.869 3.582 -11.409 1.00 0.49 H new ATOM 0 HB3 SER A 50 2.158 3.921 -10.270 1.00 0.49 H new ATOM 0 HG SER A 50 2.964 3.458 -12.396 1.00 1.28 H new ATOM 723 N LEU A 51 3.188 0.536 -10.088 1.00 0.32 N ATOM 724 CA LEU A 51 4.367 -0.152 -9.572 1.00 0.27 C ATOM 725 C LEU A 51 5.518 -0.064 -10.569 1.00 0.27 C ATOM 726 O LEU A 51 5.362 -0.411 -11.740 1.00 0.42 O ATOM 727 CB LEU A 51 4.047 -1.620 -9.278 1.00 0.30 C ATOM 728 CG LEU A 51 3.014 -1.863 -8.176 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.734 -3.351 -8.028 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.494 -1.278 -6.854 1.00 0.32 C ATOM 0 H LEU A 51 2.993 0.352 -11.072 1.00 0.32 H new ATOM 0 HA LEU A 51 4.665 0.337 -8.645 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.689 -2.086 -10.196 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.972 -2.127 -9.003 1.00 0.30 H new ATOM 0 HG LEU A 51 2.087 -1.363 -8.457 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.997 -3.506 -7.240 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.348 -3.744 -8.968 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.656 -3.871 -7.769 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.746 -1.461 -6.082 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.434 -1.750 -6.567 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.646 -0.204 -6.965 1.00 0.32 H new ATOM 742 N ILE A 52 6.671 0.398 -10.098 1.00 0.24 N ATOM 743 CA ILE A 52 7.847 0.529 -10.950 1.00 0.24 C ATOM 744 C ILE A 52 8.307 -0.838 -11.459 1.00 0.23 C ATOM 745 O ILE A 52 8.768 -1.670 -10.678 1.00 0.28 O ATOM 746 CB ILE A 52 9.012 1.209 -10.197 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.589 2.593 -9.694 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.239 1.312 -11.091 1.00 0.31 C ATOM 749 CD1 ILE A 52 8.145 3.539 -10.792 1.00 1.26 C ATOM 0 H ILE A 52 6.816 0.688 -9.131 1.00 0.24 H new ATOM 0 HA ILE A 52 7.562 1.152 -11.798 1.00 0.24 H new ATOM 0 HB ILE A 52 9.271 0.595 -9.334 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.775 2.475 -8.979 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.423 3.043 -9.156 1.00 0.36 H new ATOM 0 HG21 ILE A 52 11.049 1.794 -10.543 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.551 0.313 -11.397 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.997 1.903 -11.974 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.862 4.497 -10.355 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.964 3.689 -11.496 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.290 3.112 -11.316 1.00 1.26 H new ATOM 761 N PRO A 53 8.188 -1.093 -12.779 1.00 0.31 N ATOM 762 CA PRO A 53 8.595 -2.373 -13.373 1.00 0.35 C ATOM 763 C PRO A 53 10.096 -2.614 -13.253 1.00 0.34 C ATOM 764 O PRO A 53 10.888 -2.051 -14.007 1.00 0.46 O ATOM 765 CB PRO A 53 8.191 -2.234 -14.845 1.00 0.43 C ATOM 766 CG PRO A 53 8.125 -0.765 -15.085 1.00 0.82 C ATOM 767 CD PRO A 53 7.653 -0.165 -13.793 1.00 0.47 C ATOM 0 HA PRO A 53 8.128 -3.220 -12.870 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.919 -2.710 -15.502 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.230 -2.710 -15.038 1.00 0.43 H new ATOM 0 HG2 PRO A 53 9.101 -0.370 -15.367 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.439 -0.531 -15.899 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.035 0.847 -13.655 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.566 -0.104 -13.750 1.00 0.47 H new ATOM 775 N GLY A 54 10.479 -3.456 -12.297 1.00 0.39 N ATOM 776 CA GLY A 54 11.882 -3.760 -12.094 1.00 0.41 C ATOM 777 C GLY A 54 12.305 -3.606 -10.647 1.00 0.39 C ATOM 778 O GLY A 54 13.465 -3.840 -10.305 1.00 0.49 O ATOM 0 H GLY A 54 9.841 -3.933 -11.660 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.080 -4.781 -12.421 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.487 -3.102 -12.718 1.00 0.41 H new ATOM 782 N SER A 55 11.362 -3.214 -9.796 1.00 0.35 N ATOM 783 CA SER A 55 11.642 -3.028 -8.376 1.00 0.35 C ATOM 784 C SER A 55 11.213 -4.251 -7.572 1.00 0.32 C ATOM 785 O SER A 55 10.606 -5.175 -8.111 1.00 0.36 O ATOM 786 CB SER A 55 10.929 -1.781 -7.853 1.00 0.37 C ATOM 787 OG SER A 55 11.354 -0.622 -8.548 1.00 1.23 O ATOM 0 H SER A 55 10.398 -3.019 -10.065 1.00 0.35 H new ATOM 0 HA SER A 55 12.718 -2.898 -8.257 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.851 -1.901 -7.964 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.129 -1.664 -6.788 1.00 0.37 H new ATOM 0 HG SER A 55 11.008 0.176 -8.096 1.00 1.23 H new ATOM 793 N ALA A 56 11.528 -4.246 -6.281 1.00 0.35 N ATOM 794 CA ALA A 56 11.183 -5.359 -5.401 1.00 0.36 C ATOM 795 C ALA A 56 9.686 -5.655 -5.428 1.00 0.32 C ATOM 796 O ALA A 56 9.272 -6.768 -5.758 1.00 0.34 O ATOM 797 CB ALA A 56 11.637 -5.064 -3.980 1.00 0.42 C ATOM 0 H ALA A 56 12.022 -3.483 -5.819 1.00 0.35 H new ATOM 0 HA ALA A 56 11.702 -6.245 -5.766 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.374 -5.901 -3.333 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.717 -4.919 -3.966 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.145 -4.160 -3.621 1.00 0.42 H new ATOM 803 N ALA A 57 8.879 -4.655 -5.077 1.00 0.30 N ATOM 804 CA ALA A 57 7.426 -4.807 -5.054 1.00 0.30 C ATOM 805 C ALA A 57 6.904 -5.392 -6.365 1.00 0.30 C ATOM 806 O ALA A 57 5.912 -6.121 -6.379 1.00 0.35 O ATOM 807 CB ALA A 57 6.760 -3.467 -4.777 1.00 0.32 C ATOM 0 H ALA A 57 9.208 -3.729 -4.804 1.00 0.30 H new ATOM 0 HA ALA A 57 7.177 -5.503 -4.253 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.678 -3.595 -4.763 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.093 -3.088 -3.811 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.031 -2.757 -5.559 1.00 0.32 H new ATOM 813 N ALA A 58 7.580 -5.070 -7.465 1.00 0.31 N ATOM 814 CA ALA A 58 7.180 -5.559 -8.779 1.00 0.33 C ATOM 815 C ALA A 58 7.648 -6.993 -9.012 1.00 0.34 C ATOM 816 O ALA A 58 6.978 -7.769 -9.693 1.00 0.44 O ATOM 817 CB ALA A 58 7.721 -4.643 -9.866 1.00 0.37 C ATOM 0 H ALA A 58 8.407 -4.473 -7.471 1.00 0.31 H new ATOM 0 HA ALA A 58 6.091 -5.557 -8.818 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.416 -5.018 -10.843 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.326 -3.637 -9.724 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.809 -4.616 -9.811 1.00 0.37 H new ATOM 823 N LEU A 59 8.799 -7.339 -8.442 1.00 0.35 N ATOM 824 CA LEU A 59 9.354 -8.683 -8.594 1.00 0.39 C ATOM 825 C LEU A 59 8.438 -9.729 -7.970 1.00 0.42 C ATOM 826 O LEU A 59 8.021 -10.677 -8.636 1.00 0.57 O ATOM 827 CB LEU A 59 10.744 -8.764 -7.958 1.00 0.47 C ATOM 828 CG LEU A 59 11.853 -8.026 -8.712 1.00 0.53 C ATOM 829 CD1 LEU A 59 13.145 -8.045 -7.909 1.00 0.66 C ATOM 830 CD2 LEU A 59 12.069 -8.645 -10.085 1.00 0.61 C ATOM 0 H LEU A 59 9.365 -6.710 -7.872 1.00 0.35 H new ATOM 0 HA LEU A 59 9.437 -8.890 -9.661 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.686 -8.363 -6.946 1.00 0.47 H new ATOM 0 HB3 LEU A 59 11.024 -9.814 -7.869 1.00 0.47 H new ATOM 0 HG LEU A 59 11.546 -6.989 -8.848 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.923 -7.516 -8.459 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.984 -7.556 -6.948 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.455 -9.077 -7.743 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.861 -8.107 -10.606 1.00 0.61 H new ATOM 0 HD22 LEU A 59 12.354 -9.691 -9.972 1.00 0.61 H new ATOM 0 HD23 LEU A 59 11.147 -8.581 -10.662 1.00 0.61 H new ATOM 842 N ASP A 60 8.132 -9.553 -6.688 1.00 0.44 N ATOM 843 CA ASP A 60 7.266 -10.484 -5.972 1.00 0.52 C ATOM 844 C ASP A 60 5.930 -10.650 -6.688 1.00 0.61 C ATOM 845 O ASP A 60 5.368 -11.744 -6.729 1.00 0.79 O ATOM 846 CB ASP A 60 7.039 -10.001 -4.539 1.00 0.74 C ATOM 847 CG ASP A 60 8.319 -9.998 -3.726 1.00 1.08 C ATOM 848 OD1 ASP A 60 9.253 -9.254 -4.094 1.00 1.86 O ATOM 849 OD2 ASP A 60 8.390 -10.742 -2.726 1.00 1.32 O ATOM 0 H ASP A 60 8.471 -8.774 -6.124 1.00 0.44 H new ATOM 0 HA ASP A 60 7.761 -11.455 -5.945 1.00 0.52 H new ATOM 0 HB2 ASP A 60 6.621 -8.995 -4.559 1.00 0.74 H new ATOM 0 HB3 ASP A 60 6.304 -10.642 -4.053 1.00 0.74 H new ATOM 854 N GLY A 61 5.430 -9.554 -7.255 1.00 0.72 N ATOM 855 CA GLY A 61 4.166 -9.592 -7.970 1.00 1.06 C ATOM 856 C GLY A 61 2.995 -9.958 -7.079 1.00 0.83 C ATOM 857 O GLY A 61 1.880 -10.155 -7.562 1.00 0.94 O ATOM 0 H GLY A 61 5.879 -8.639 -7.231 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.981 -8.618 -8.423 1.00 1.06 H new ATOM 0 HA3 GLY A 61 4.236 -10.314 -8.784 1.00 1.06 H new ATOM 861 N ARG A 62 3.246 -10.044 -5.777 1.00 0.63 N ATOM 862 CA ARG A 62 2.203 -10.392 -4.817 1.00 0.59 C ATOM 863 C ARG A 62 1.379 -9.165 -4.439 1.00 0.52 C ATOM 864 O ARG A 62 0.487 -9.242 -3.594 1.00 0.69 O ATOM 865 CB ARG A 62 2.822 -11.010 -3.562 1.00 0.67 C ATOM 866 CG ARG A 62 3.693 -12.222 -3.849 1.00 0.81 C ATOM 867 CD ARG A 62 4.228 -12.840 -2.567 1.00 1.05 C ATOM 868 NE ARG A 62 3.154 -13.293 -1.688 1.00 1.31 N ATOM 869 CZ ARG A 62 3.303 -14.238 -0.765 1.00 1.93 C ATOM 870 NH1 ARG A 62 4.478 -14.830 -0.599 1.00 2.26 N ATOM 871 NH2 ARG A 62 2.274 -14.592 -0.007 1.00 2.59 N ATOM 0 H ARG A 62 4.163 -9.878 -5.362 1.00 0.63 H new ATOM 0 HA ARG A 62 1.542 -11.121 -5.286 1.00 0.59 H new ATOM 0 HB2 ARG A 62 3.421 -10.255 -3.052 1.00 0.67 H new ATOM 0 HB3 ARG A 62 2.024 -11.300 -2.878 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.115 -12.965 -4.399 1.00 0.81 H new ATOM 0 HG3 ARG A 62 4.526 -11.930 -4.488 1.00 0.81 H new ATOM 0 HD2 ARG A 62 4.875 -13.682 -2.813 1.00 1.05 H new ATOM 0 HD3 ARG A 62 4.843 -12.109 -2.041 1.00 1.05 H new ATOM 0 HE ARG A 62 2.236 -12.859 -1.788 1.00 1.31 H new ATOM 0 HH11 ARG A 62 5.271 -14.561 -1.181 1.00 2.26 H new ATOM 0 HH12 ARG A 62 4.588 -15.555 0.110 1.00 2.26 H new ATOM 0 HH21 ARG A 62 1.369 -14.139 -0.132 1.00 2.59 H new ATOM 0 HH22 ARG A 62 2.388 -15.317 0.701 1.00 2.59 H new ATOM 885 N ILE A 63 1.685 -8.037 -5.071 1.00 0.48 N ATOM 886 CA ILE A 63 0.974 -6.794 -4.804 1.00 0.48 C ATOM 887 C ILE A 63 0.113 -6.390 -5.997 1.00 0.49 C ATOM 888 O ILE A 63 0.567 -6.416 -7.141 1.00 0.59 O ATOM 889 CB ILE A 63 1.953 -5.649 -4.470 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.875 -6.060 -3.318 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.187 -4.382 -4.116 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.977 -5.063 -3.034 1.00 0.92 C ATOM 0 H ILE A 63 2.422 -7.959 -5.772 1.00 0.48 H new ATOM 0 HA ILE A 63 0.331 -6.971 -3.942 1.00 0.48 H new ATOM 0 HB ILE A 63 2.566 -5.445 -5.348 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.277 -6.194 -2.416 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.323 -7.026 -3.550 1.00 0.66 H new ATOM 0 HG21 ILE A 63 1.892 -3.584 -3.883 1.00 0.66 H new ATOM 0 HG22 ILE A 63 0.567 -4.083 -4.961 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.553 -4.570 -3.250 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.588 -5.422 -2.206 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.600 -4.946 -3.921 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.538 -4.101 -2.770 1.00 0.92 H new ATOM 904 N GLU A 64 -1.133 -6.017 -5.721 1.00 0.51 N ATOM 905 CA GLU A 64 -2.064 -5.612 -6.766 1.00 0.58 C ATOM 906 C GLU A 64 -2.310 -4.102 -6.719 1.00 0.56 C ATOM 907 O GLU A 64 -2.684 -3.567 -5.676 1.00 0.66 O ATOM 908 CB GLU A 64 -3.391 -6.360 -6.600 1.00 0.79 C ATOM 909 CG GLU A 64 -4.423 -6.035 -7.669 1.00 1.09 C ATOM 910 CD GLU A 64 -4.019 -6.528 -9.045 1.00 1.39 C ATOM 911 OE1 GLU A 64 -3.701 -7.728 -9.176 1.00 1.67 O ATOM 912 OE2 GLU A 64 -4.027 -5.715 -9.994 1.00 1.98 O ATOM 0 H GLU A 64 -1.521 -5.987 -4.778 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.626 -5.861 -7.733 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -3.196 -7.432 -6.612 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.810 -6.123 -5.622 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -5.378 -6.483 -7.394 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -4.575 -4.956 -7.705 1.00 1.09 H new ATOM 919 N PRO A 65 -2.097 -3.390 -7.847 1.00 0.56 N ATOM 920 CA PRO A 65 -2.305 -1.937 -7.918 1.00 0.64 C ATOM 921 C PRO A 65 -3.709 -1.534 -7.476 1.00 0.72 C ATOM 922 O PRO A 65 -4.556 -2.389 -7.215 1.00 1.44 O ATOM 923 CB PRO A 65 -2.096 -1.603 -9.403 1.00 0.77 C ATOM 924 CG PRO A 65 -2.140 -2.914 -10.116 1.00 0.83 C ATOM 925 CD PRO A 65 -1.636 -3.930 -9.136 1.00 0.62 C ATOM 0 HA PRO A 65 -1.627 -1.401 -7.254 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.873 -0.932 -9.768 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.141 -1.101 -9.562 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.154 -3.150 -10.437 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.519 -2.893 -11.011 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.048 -4.920 -9.331 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.551 -4.023 -9.171 1.00 0.62 H new ATOM 933 N ASN A 66 -3.948 -0.227 -7.398 1.00 0.60 N ATOM 934 CA ASN A 66 -5.247 0.295 -6.981 1.00 0.59 C ATOM 935 C ASN A 66 -5.580 -0.166 -5.565 1.00 0.51 C ATOM 936 O ASN A 66 -6.749 -0.262 -5.189 1.00 0.73 O ATOM 937 CB ASN A 66 -6.347 -0.149 -7.952 1.00 0.66 C ATOM 938 CG ASN A 66 -6.236 0.512 -9.314 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.013 0.807 -9.740 1.00 2.15 O flip ATOM 940 ND2 ASN A 66 -7.243 0.753 -9.980 1.00 2.01 N flip ATOM 0 H ASN A 66 -3.258 0.491 -7.618 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.194 1.384 -6.991 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.301 -1.231 -8.074 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.321 0.082 -7.520 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -8.165 0.511 -9.617 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.156 1.195 -10.895 1.00 2.01 H new ATOM 947 N ASP A 67 -4.540 -0.449 -4.786 1.00 0.36 N ATOM 948 CA ASP A 67 -4.711 -0.900 -3.409 1.00 0.34 C ATOM 949 C ASP A 67 -4.600 0.274 -2.443 1.00 0.30 C ATOM 950 O ASP A 67 -3.974 1.286 -2.756 1.00 0.38 O ATOM 951 CB ASP A 67 -3.662 -1.958 -3.066 1.00 0.41 C ATOM 952 CG ASP A 67 -2.247 -1.417 -3.145 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.779 -0.830 -2.146 1.00 1.46 O ATOM 954 OD2 ASP A 67 -1.607 -1.579 -4.206 1.00 2.02 O ATOM 0 H ASP A 67 -3.568 -0.374 -5.086 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.704 -1.339 -3.312 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.847 -2.337 -2.061 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.764 -2.802 -3.749 1.00 0.41 H new ATOM 959 N LYS A 68 -5.208 0.133 -1.268 1.00 0.27 N ATOM 960 CA LYS A 68 -5.174 1.189 -0.263 1.00 0.28 C ATOM 961 C LYS A 68 -4.213 0.835 0.870 1.00 0.26 C ATOM 962 O LYS A 68 -4.486 -0.058 1.672 1.00 0.38 O ATOM 963 CB LYS A 68 -6.577 1.434 0.293 1.00 0.37 C ATOM 964 CG LYS A 68 -6.658 2.612 1.249 1.00 0.53 C ATOM 965 CD LYS A 68 -8.092 2.895 1.664 1.00 0.53 C ATOM 966 CE LYS A 68 -8.177 4.107 2.575 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.587 4.449 2.915 1.00 1.02 N ATOM 0 H LYS A 68 -5.728 -0.699 -0.990 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.817 2.101 -0.740 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.263 1.603 -0.537 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.916 0.535 0.808 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -6.056 2.406 2.134 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.234 3.497 0.774 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.703 3.061 0.777 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.503 2.024 2.175 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.620 3.912 3.491 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.704 4.960 2.089 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.602 5.282 3.538 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -10.113 4.660 2.043 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -10.032 3.645 3.402 1.00 1.02 H new ATOM 981 N ILE A 69 -3.088 1.544 0.927 1.00 0.24 N ATOM 982 CA ILE A 69 -2.085 1.309 1.960 1.00 0.21 C ATOM 983 C ILE A 69 -2.603 1.733 3.329 1.00 0.21 C ATOM 984 O ILE A 69 -3.147 2.827 3.488 1.00 0.29 O ATOM 985 CB ILE A 69 -0.779 2.071 1.660 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.271 1.733 0.255 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.279 1.745 2.705 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.090 0.273 0.066 1.00 0.28 C ATOM 0 H ILE A 69 -2.849 2.286 0.269 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.878 0.239 1.965 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.985 3.140 1.702 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.036 2.005 -0.472 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.605 2.344 0.039 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.195 2.291 2.478 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.082 2.036 3.691 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.483 0.674 2.694 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.441 0.114 -0.954 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.878 -0.001 0.768 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.789 -0.346 0.248 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.425 0.862 4.318 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.874 1.143 5.675 1.00 0.21 C ATOM 1002 C LEU A 70 -1.697 1.513 6.569 1.00 0.20 C ATOM 1003 O LEU A 70 -1.611 2.635 7.071 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.607 -0.069 6.255 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.835 -0.526 5.464 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.372 -1.833 6.026 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.916 0.545 5.485 1.00 0.38 C ATOM 0 H LEU A 70 -1.972 -0.045 4.203 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.560 1.989 5.636 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.906 -0.901 6.320 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.917 0.167 7.273 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.535 -0.690 4.429 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.245 -2.144 5.452 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.602 -2.601 5.960 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.655 -1.692 7.069 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.780 0.201 4.917 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.213 0.742 6.515 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.530 1.461 5.038 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.788 0.564 6.762 1.00 0.20 N ATOM 1020 CA ARG A 71 0.379 0.794 7.600 1.00 0.25 C ATOM 1021 C ARG A 71 1.576 -0.025 7.129 1.00 0.18 C ATOM 1022 O ARG A 71 1.449 -1.203 6.790 1.00 0.26 O ATOM 1023 CB ARG A 71 0.058 0.456 9.057 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.419 -0.973 9.261 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.613 -1.289 10.735 1.00 0.77 C ATOM 1026 NE ARG A 71 0.632 -1.164 11.488 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.790 -1.600 12.735 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -0.214 -2.194 13.367 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.954 -1.439 13.349 1.00 2.61 N ATOM 0 H ARG A 71 -0.838 -0.368 6.351 1.00 0.20 H new ATOM 0 HA ARG A 71 0.640 1.849 7.522 1.00 0.25 H new ATOM 0 HB2 ARG A 71 0.948 0.623 9.664 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.709 1.141 9.419 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.358 -1.124 8.729 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.306 -1.665 8.832 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.360 -0.616 11.155 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.001 -2.302 10.841 1.00 0.77 H new ATOM 0 HE ARG A 71 1.427 -0.716 11.031 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.111 -2.318 12.897 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -0.089 -2.527 14.323 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.727 -0.981 12.865 1.00 2.61 H new ATOM 0 HH22 ARG A 71 2.077 -1.773 14.305 1.00 2.61 H new ATOM 1043 N VAL A 72 2.737 0.618 7.105 1.00 0.21 N ATOM 1044 CA VAL A 72 3.976 -0.032 6.697 1.00 0.17 C ATOM 1045 C VAL A 72 4.660 -0.656 7.913 1.00 0.17 C ATOM 1046 O VAL A 72 4.234 -0.437 9.046 1.00 0.20 O ATOM 1047 CB VAL A 72 4.935 0.972 6.020 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.083 0.255 5.320 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.176 1.855 5.041 1.00 0.28 C ATOM 0 H VAL A 72 2.846 1.598 7.366 1.00 0.21 H new ATOM 0 HA VAL A 72 3.729 -0.811 5.975 1.00 0.17 H new ATOM 0 HB VAL A 72 5.364 1.604 6.798 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.740 0.989 4.854 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.648 -0.326 6.049 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.684 -0.412 4.556 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.867 2.556 4.573 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.714 1.234 4.274 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.403 2.408 5.574 1.00 0.28 H new ATOM 1059 N ASP A 73 5.707 -1.439 7.672 1.00 0.18 N ATOM 1060 CA ASP A 73 6.445 -2.093 8.750 1.00 0.21 C ATOM 1061 C ASP A 73 6.796 -1.115 9.874 1.00 0.22 C ATOM 1062 O ASP A 73 7.652 -0.247 9.709 1.00 0.23 O ATOM 1063 CB ASP A 73 7.724 -2.719 8.198 1.00 0.26 C ATOM 1064 CG ASP A 73 8.382 -3.662 9.186 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.172 -3.185 10.027 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.106 -4.879 9.118 1.00 0.79 O ATOM 0 H ASP A 73 6.065 -1.637 6.738 1.00 0.18 H new ATOM 0 HA ASP A 73 5.802 -2.868 9.168 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.493 -3.262 7.281 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.426 -1.929 7.932 1.00 0.26 H new ATOM 1071 N ASP A 74 6.122 -1.271 11.014 1.00 0.25 N ATOM 1072 CA ASP A 74 6.362 -0.428 12.187 1.00 0.29 C ATOM 1073 C ASP A 74 6.140 1.057 11.891 1.00 0.25 C ATOM 1074 O ASP A 74 6.416 1.910 12.733 1.00 0.29 O ATOM 1075 CB ASP A 74 7.784 -0.648 12.710 1.00 0.35 C ATOM 1076 CG ASP A 74 8.019 0.010 14.056 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.574 -0.553 15.078 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.648 1.089 14.089 1.00 2.01 O ATOM 0 H ASP A 74 5.400 -1.979 11.151 1.00 0.25 H new ATOM 0 HA ASP A 74 5.639 -0.721 12.948 1.00 0.29 H new ATOM 0 HB2 ASP A 74 7.974 -1.718 12.795 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.498 -0.253 11.987 1.00 0.35 H new ATOM 1083 N VAL A 75 5.636 1.365 10.701 1.00 0.27 N ATOM 1084 CA VAL A 75 5.388 2.753 10.321 1.00 0.27 C ATOM 1085 C VAL A 75 4.053 2.903 9.597 1.00 0.37 C ATOM 1086 O VAL A 75 3.954 2.635 8.402 1.00 0.79 O ATOM 1087 CB VAL A 75 6.512 3.297 9.416 1.00 0.36 C ATOM 1088 CG1 VAL A 75 6.245 4.749 9.044 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.865 3.158 10.098 1.00 0.41 C ATOM 0 H VAL A 75 5.392 0.679 9.987 1.00 0.27 H new ATOM 0 HA VAL A 75 5.360 3.330 11.246 1.00 0.27 H new ATOM 0 HB VAL A 75 6.529 2.707 8.500 1.00 0.36 H new ATOM 0 HG11 VAL A 75 7.049 5.115 8.405 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.297 4.820 8.510 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.197 5.354 9.950 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.644 3.547 9.443 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.861 3.720 11.032 1.00 0.41 H new ATOM 0 HG23 VAL A 75 8.060 2.106 10.308 1.00 0.41 H new ATOM 1099 N ASN A 76 3.033 3.341 10.330 1.00 0.30 N ATOM 1100 CA ASN A 76 1.705 3.529 9.755 1.00 0.37 C ATOM 1101 C ASN A 76 1.679 4.750 8.842 1.00 0.42 C ATOM 1102 O ASN A 76 2.445 5.694 9.032 1.00 0.58 O ATOM 1103 CB ASN A 76 0.662 3.687 10.865 1.00 0.46 C ATOM 1104 CG ASN A 76 0.575 2.466 11.760 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.562 1.756 11.961 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.611 2.213 12.303 1.00 2.08 N ATOM 0 H ASN A 76 3.101 3.572 11.321 1.00 0.30 H new ATOM 0 HA ASN A 76 1.464 2.646 9.163 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.909 4.560 11.470 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.314 3.876 10.418 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -0.731 1.404 12.913 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.402 2.827 12.110 1.00 2.08 H new ATOM 1113 N VAL A 77 0.793 4.727 7.850 1.00 0.35 N ATOM 1114 CA VAL A 77 0.675 5.836 6.909 1.00 0.43 C ATOM 1115 C VAL A 77 -0.723 6.446 6.945 1.00 0.53 C ATOM 1116 O VAL A 77 -1.181 7.033 5.964 1.00 0.67 O ATOM 1117 CB VAL A 77 0.992 5.385 5.470 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.419 4.870 5.374 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.004 4.324 5.010 1.00 0.53 C ATOM 0 H VAL A 77 0.149 3.955 7.678 1.00 0.35 H new ATOM 0 HA VAL A 77 1.401 6.589 7.215 1.00 0.43 H new ATOM 0 HB VAL A 77 0.895 6.248 4.811 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.624 4.556 4.351 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.112 5.663 5.656 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.545 4.021 6.046 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.245 4.019 3.992 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.064 3.460 5.671 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -1.007 4.732 5.037 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.395 6.308 8.084 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.742 6.841 8.247 1.00 0.72 C ATOM 1131 C GLN A 78 -2.708 8.260 8.806 1.00 0.61 C ATOM 1132 O GLN A 78 -3.647 8.697 9.472 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.559 5.937 9.174 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.659 4.500 8.690 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.351 4.385 7.346 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.576 4.462 6.271 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.570 4.229 7.274 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.028 5.831 8.908 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.213 6.871 7.265 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.109 5.947 10.167 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.563 6.348 9.276 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.658 4.075 8.617 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.203 3.909 9.427 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.128 4.175 8.126 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.022 4.154 6.363 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.621 8.977 8.532 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.494 10.338 9.018 1.00 0.48 C ATOM 1148 C GLY A 79 -0.245 11.032 8.510 1.00 0.41 C ATOM 1149 O GLY A 79 0.199 12.022 9.091 1.00 0.55 O ATOM 0 H GLY A 79 -0.829 8.640 7.984 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.371 10.910 8.714 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.481 10.330 10.108 1.00 0.48 H new ATOM 1153 N MET A 80 0.323 10.516 7.423 1.00 0.32 N ATOM 1154 CA MET A 80 1.528 11.101 6.843 1.00 0.33 C ATOM 1155 C MET A 80 1.287 11.530 5.400 1.00 0.30 C ATOM 1156 O MET A 80 0.628 10.827 4.634 1.00 0.34 O ATOM 1157 CB MET A 80 2.687 10.105 6.900 1.00 0.39 C ATOM 1158 CG MET A 80 2.998 9.606 8.301 1.00 0.46 C ATOM 1159 SD MET A 80 4.549 8.690 8.383 1.00 0.52 S ATOM 1160 CE MET A 80 4.282 7.448 7.122 1.00 0.48 C ATOM 0 H MET A 80 -0.030 9.697 6.928 1.00 0.32 H new ATOM 0 HA MET A 80 1.786 11.983 7.429 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.452 9.251 6.264 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.579 10.575 6.486 1.00 0.39 H new ATOM 0 HG2 MET A 80 3.045 10.455 8.983 1.00 0.46 H new ATOM 0 HG3 MET A 80 2.184 8.967 8.644 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.885 6.568 7.345 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.228 7.170 7.102 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.570 7.849 6.150 1.00 0.48 H new ATOM 1170 N ALA A 81 1.831 12.689 5.038 1.00 0.29 N ATOM 1171 CA ALA A 81 1.682 13.218 3.687 1.00 0.31 C ATOM 1172 C ALA A 81 2.375 12.323 2.668 1.00 0.26 C ATOM 1173 O ALA A 81 3.296 11.583 3.011 1.00 0.23 O ATOM 1174 CB ALA A 81 2.233 14.634 3.608 1.00 0.39 C ATOM 0 H ALA A 81 2.379 13.280 5.663 1.00 0.29 H new ATOM 0 HA ALA A 81 0.618 13.241 3.449 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.114 15.015 2.593 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.689 15.275 4.302 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.291 14.628 3.872 1.00 0.39 H new ATOM 1180 N GLN A 82 1.932 12.400 1.416 1.00 0.33 N ATOM 1181 CA GLN A 82 2.504 11.589 0.343 1.00 0.35 C ATOM 1182 C GLN A 82 4.030 11.585 0.401 1.00 0.31 C ATOM 1183 O GLN A 82 4.662 10.537 0.258 1.00 0.31 O ATOM 1184 CB GLN A 82 2.037 12.114 -1.016 1.00 0.42 C ATOM 1185 CG GLN A 82 2.570 11.314 -2.194 1.00 0.51 C ATOM 1186 CD GLN A 82 2.127 11.876 -3.532 1.00 0.76 C ATOM 1187 OE1 GLN A 82 1.917 13.082 -3.672 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.983 11.004 -4.522 1.00 0.74 N ATOM 0 H GLN A 82 1.177 13.017 1.118 1.00 0.33 H new ATOM 0 HA GLN A 82 2.158 10.564 0.476 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.947 12.105 -1.045 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.350 13.153 -1.122 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.659 11.298 -2.154 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.233 10.281 -2.109 1.00 0.51 H new ATOM 0 HE21 GLN A 82 2.168 10.014 -4.361 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.687 11.324 -5.444 1.00 0.74 H new ATOM 1197 N SER A 83 4.614 12.759 0.617 1.00 0.32 N ATOM 1198 CA SER A 83 6.065 12.894 0.689 1.00 0.35 C ATOM 1199 C SER A 83 6.652 12.020 1.796 1.00 0.30 C ATOM 1200 O SER A 83 7.563 11.228 1.555 1.00 0.35 O ATOM 1201 CB SER A 83 6.447 14.357 0.925 1.00 0.44 C ATOM 1202 OG SER A 83 7.853 14.510 1.006 1.00 1.48 O ATOM 0 H SER A 83 4.104 13.633 0.746 1.00 0.32 H new ATOM 0 HA SER A 83 6.479 12.560 -0.262 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.057 14.973 0.115 1.00 0.44 H new ATOM 0 HB3 SER A 83 5.986 14.713 1.846 1.00 0.44 H new ATOM 0 HG SER A 83 8.071 15.454 1.155 1.00 1.48 H new ATOM 1208 N ASP A 84 6.123 12.173 3.006 1.00 0.24 N ATOM 1209 CA ASP A 84 6.595 11.405 4.156 1.00 0.24 C ATOM 1210 C ASP A 84 6.552 9.904 3.880 1.00 0.20 C ATOM 1211 O ASP A 84 7.452 9.167 4.282 1.00 0.24 O ATOM 1212 CB ASP A 84 5.755 11.731 5.392 1.00 0.27 C ATOM 1213 CG ASP A 84 5.868 13.186 5.803 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.820 13.522 6.539 1.00 0.97 O ATOM 1215 OD2 ASP A 84 5.005 13.988 5.389 1.00 2.12 O ATOM 0 H ASP A 84 5.366 12.823 3.217 1.00 0.24 H new ATOM 0 HA ASP A 84 7.632 11.686 4.340 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.710 11.494 5.190 1.00 0.27 H new ATOM 0 HB3 ASP A 84 6.072 11.097 6.220 1.00 0.27 H new ATOM 1220 N VAL A 85 5.503 9.458 3.195 1.00 0.19 N ATOM 1221 CA VAL A 85 5.348 8.042 2.874 1.00 0.22 C ATOM 1222 C VAL A 85 6.487 7.549 1.986 1.00 0.21 C ATOM 1223 O VAL A 85 7.007 6.450 2.181 1.00 0.24 O ATOM 1224 CB VAL A 85 4.004 7.766 2.172 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.770 6.269 2.036 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.859 8.423 2.926 1.00 0.30 C ATOM 0 H VAL A 85 4.750 10.054 2.852 1.00 0.19 H new ATOM 0 HA VAL A 85 5.371 7.501 3.820 1.00 0.22 H new ATOM 0 HB VAL A 85 4.045 8.198 1.172 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.816 6.094 1.538 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.574 5.827 1.447 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.752 5.812 3.025 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.920 8.216 2.414 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.815 8.025 3.940 1.00 0.30 H new ATOM 0 HG23 VAL A 85 3.020 9.500 2.966 1.00 0.30 H new ATOM 1236 N VAL A 86 6.869 8.368 1.011 1.00 0.22 N ATOM 1237 CA VAL A 86 7.947 8.016 0.093 1.00 0.25 C ATOM 1238 C VAL A 86 9.272 7.863 0.833 1.00 0.24 C ATOM 1239 O VAL A 86 10.027 6.925 0.581 1.00 0.26 O ATOM 1240 CB VAL A 86 8.107 9.073 -1.019 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.272 8.725 -1.936 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.818 9.206 -1.817 1.00 0.34 C ATOM 0 H VAL A 86 6.448 9.280 0.836 1.00 0.22 H new ATOM 0 HA VAL A 86 7.677 7.062 -0.361 1.00 0.25 H new ATOM 0 HB VAL A 86 8.323 10.032 -0.548 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.364 9.485 -2.712 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.193 8.686 -1.355 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.093 7.754 -2.399 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.949 9.956 -2.597 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.572 8.247 -2.273 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.009 9.510 -1.153 1.00 0.34 H new ATOM 1252 N GLU A 87 9.546 8.788 1.748 1.00 0.25 N ATOM 1253 CA GLU A 87 10.784 8.759 2.522 1.00 0.26 C ATOM 1254 C GLU A 87 10.925 7.447 3.289 1.00 0.24 C ATOM 1255 O GLU A 87 11.987 6.823 3.276 1.00 0.26 O ATOM 1256 CB GLU A 87 10.832 9.937 3.496 1.00 0.32 C ATOM 1257 CG GLU A 87 10.807 11.294 2.813 1.00 0.75 C ATOM 1258 CD GLU A 87 10.941 12.443 3.793 1.00 1.04 C ATOM 1259 OE1 GLU A 87 9.911 12.864 4.359 1.00 1.51 O ATOM 1260 OE2 GLU A 87 12.077 12.924 3.991 1.00 1.19 O ATOM 0 H GLU A 87 8.928 9.568 1.972 1.00 0.25 H new ATOM 0 HA GLU A 87 11.616 8.839 1.822 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.985 9.868 4.179 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.736 9.861 4.101 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.617 11.345 2.086 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.874 11.401 2.259 1.00 0.75 H new ATOM 1267 N VAL A 88 9.851 7.035 3.955 1.00 0.22 N ATOM 1268 CA VAL A 88 9.856 5.798 4.728 1.00 0.22 C ATOM 1269 C VAL A 88 10.244 4.605 3.863 1.00 0.23 C ATOM 1270 O VAL A 88 11.212 3.899 4.153 1.00 0.25 O ATOM 1271 CB VAL A 88 8.476 5.526 5.359 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.437 4.141 5.993 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.136 6.599 6.383 1.00 0.27 C ATOM 0 H VAL A 88 8.965 7.540 3.975 1.00 0.22 H new ATOM 0 HA VAL A 88 10.596 5.926 5.518 1.00 0.22 H new ATOM 0 HB VAL A 88 7.725 5.558 4.569 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.454 3.970 6.432 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.630 3.386 5.231 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.198 4.075 6.770 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.158 6.390 6.818 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.890 6.603 7.170 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.116 7.574 5.896 1.00 0.27 H new ATOM 1283 N LEU A 89 9.478 4.383 2.801 1.00 0.24 N ATOM 1284 CA LEU A 89 9.728 3.273 1.892 1.00 0.28 C ATOM 1285 C LEU A 89 11.115 3.375 1.260 1.00 0.32 C ATOM 1286 O LEU A 89 11.686 2.372 0.831 1.00 0.39 O ATOM 1287 CB LEU A 89 8.659 3.239 0.796 1.00 0.32 C ATOM 1288 CG LEU A 89 7.218 3.104 1.293 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.240 3.255 0.138 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.015 1.767 1.990 1.00 0.35 C ATOM 0 H LEU A 89 8.676 4.960 2.549 1.00 0.24 H new ATOM 0 HA LEU A 89 9.684 2.350 2.470 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.738 4.152 0.205 1.00 0.32 H new ATOM 0 HB3 LEU A 89 8.875 2.406 0.127 1.00 0.32 H new ATOM 0 HG LEU A 89 7.028 3.900 2.013 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.220 3.156 0.510 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.366 4.236 -0.320 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.432 2.481 -0.605 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.984 1.690 2.336 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.225 0.957 1.291 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.690 1.695 2.842 1.00 0.35 H new ATOM 1302 N ARG A 90 11.648 4.592 1.205 1.00 0.31 N ATOM 1303 CA ARG A 90 12.963 4.825 0.614 1.00 0.37 C ATOM 1304 C ARG A 90 14.074 4.688 1.653 1.00 0.37 C ATOM 1305 O ARG A 90 15.253 4.624 1.305 1.00 0.48 O ATOM 1306 CB ARG A 90 13.015 6.214 -0.024 1.00 0.41 C ATOM 1307 CG ARG A 90 13.578 6.224 -1.438 1.00 0.49 C ATOM 1308 CD ARG A 90 12.737 5.381 -2.389 1.00 0.72 C ATOM 1309 NE ARG A 90 11.316 5.718 -2.324 1.00 1.00 N ATOM 1310 CZ ARG A 90 10.392 5.168 -3.106 1.00 1.59 C ATOM 1311 NH1 ARG A 90 10.739 4.265 -4.013 1.00 1.82 N ATOM 1312 NH2 ARG A 90 9.118 5.516 -2.980 1.00 2.10 N ATOM 0 H ARG A 90 11.191 5.431 1.562 1.00 0.31 H new ATOM 0 HA ARG A 90 13.123 4.068 -0.153 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.009 6.633 -0.041 1.00 0.41 H new ATOM 0 HB3 ARG A 90 13.622 6.868 0.602 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.622 7.250 -1.804 1.00 0.49 H new ATOM 0 HG3 ARG A 90 14.600 5.846 -1.425 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.095 5.522 -3.409 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.869 4.326 -2.148 1.00 0.72 H new ATOM 0 HE ARG A 90 11.017 6.414 -1.641 1.00 1.00 H new ATOM 0 HH11 ARG A 90 11.717 3.991 -4.112 1.00 1.82 H new ATOM 0 HH12 ARG A 90 10.028 3.844 -4.612 1.00 1.82 H new ATOM 0 HH21 ARG A 90 8.845 6.207 -2.282 1.00 2.10 H new ATOM 0 HH22 ARG A 90 8.412 5.092 -3.582 1.00 2.10 H new ATOM 1326 N ASN A 91 13.696 4.645 2.927 1.00 0.32 N ATOM 1327 CA ASN A 91 14.670 4.518 4.007 1.00 0.36 C ATOM 1328 C ASN A 91 14.687 3.099 4.569 1.00 0.36 C ATOM 1329 O ASN A 91 15.558 2.750 5.365 1.00 0.42 O ATOM 1330 CB ASN A 91 14.364 5.517 5.124 1.00 0.38 C ATOM 1331 CG ASN A 91 14.513 6.957 4.671 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.324 7.264 3.797 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.729 7.849 5.265 1.00 1.14 N ATOM 0 H ASN A 91 12.725 4.696 3.237 1.00 0.32 H new ATOM 0 HA ASN A 91 15.655 4.736 3.594 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.348 5.356 5.483 1.00 0.38 H new ATOM 0 HB3 ASN A 91 15.032 5.333 5.965 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.785 8.833 5.002 1.00 1.14 H new ATOM 0 HD22 ASN A 91 13.071 7.550 5.985 1.00 1.14 H new ATOM 1340 N ALA A 92 13.716 2.288 4.153 1.00 0.32 N ATOM 1341 CA ALA A 92 13.622 0.905 4.611 1.00 0.34 C ATOM 1342 C ALA A 92 14.955 0.175 4.461 1.00 0.46 C ATOM 1343 O ALA A 92 15.689 0.001 5.435 1.00 0.55 O ATOM 1344 CB ALA A 92 12.528 0.172 3.848 1.00 0.32 C ATOM 0 H ALA A 92 12.984 2.566 3.500 1.00 0.32 H new ATOM 0 HA ALA A 92 13.368 0.919 5.671 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.468 -0.858 4.199 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.572 0.669 4.015 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.759 0.180 2.783 1.00 0.32 H new ATOM 1350 N GLY A 93 15.264 -0.251 3.239 1.00 0.53 N ATOM 1351 CA GLY A 93 16.508 -0.962 2.993 1.00 0.68 C ATOM 1352 C GLY A 93 16.598 -2.254 3.783 1.00 0.66 C ATOM 1353 O GLY A 93 17.685 -2.796 3.986 1.00 0.76 O ATOM 0 H GLY A 93 14.677 -0.117 2.416 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.594 -1.183 1.929 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.349 -0.320 3.254 1.00 0.68 H new ATOM 1357 N ASN A 94 15.447 -2.743 4.233 1.00 0.54 N ATOM 1358 CA ASN A 94 15.380 -3.973 5.013 1.00 0.54 C ATOM 1359 C ASN A 94 14.075 -4.723 4.719 1.00 0.43 C ATOM 1360 O ASN A 94 13.191 -4.187 4.050 1.00 0.39 O ATOM 1361 CB ASN A 94 15.459 -3.632 6.502 1.00 0.59 C ATOM 1362 CG ASN A 94 14.231 -2.881 6.972 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.168 -3.619 7.264 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.233 -1.654 7.059 1.00 2.52 N flip ATOM 0 H ASN A 94 14.542 -2.302 4.069 1.00 0.54 H new ATOM 0 HA ASN A 94 16.217 -4.615 4.739 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.567 -4.550 7.080 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.348 -3.030 6.690 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.074 -1.127 6.824 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.393 -1.163 7.366 1.00 2.52 H new ATOM 1371 N PRO A 95 13.942 -5.981 5.194 1.00 0.41 N ATOM 1372 CA PRO A 95 12.718 -6.767 4.995 1.00 0.35 C ATOM 1373 C PRO A 95 11.532 -6.158 5.735 1.00 0.32 C ATOM 1374 O PRO A 95 11.311 -6.441 6.914 1.00 0.45 O ATOM 1375 CB PRO A 95 13.063 -8.146 5.577 1.00 0.44 C ATOM 1376 CG PRO A 95 14.550 -8.167 5.687 1.00 0.64 C ATOM 1377 CD PRO A 95 14.965 -6.746 5.926 1.00 0.51 C ATOM 0 HA PRO A 95 12.424 -6.806 3.946 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.595 -8.290 6.551 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.705 -8.947 4.930 1.00 0.44 H new ATOM 0 HG2 PRO A 95 14.872 -8.811 6.506 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.003 -8.558 4.776 1.00 0.64 H new ATOM 0 HD2 PRO A 95 14.972 -6.500 6.988 1.00 0.51 H new ATOM 0 HD3 PRO A 95 15.967 -6.548 5.546 1.00 0.51 H new ATOM 1385 N VAL A 96 10.770 -5.318 5.038 1.00 0.28 N ATOM 1386 CA VAL A 96 9.614 -4.656 5.635 1.00 0.33 C ATOM 1387 C VAL A 96 8.303 -5.319 5.222 1.00 0.28 C ATOM 1388 O VAL A 96 8.210 -5.934 4.161 1.00 0.30 O ATOM 1389 CB VAL A 96 9.558 -3.166 5.243 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.747 -2.415 5.820 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.506 -3.010 3.731 1.00 0.38 C ATOM 0 H VAL A 96 10.933 -5.080 4.060 1.00 0.28 H new ATOM 0 HA VAL A 96 9.734 -4.747 6.715 1.00 0.33 H new ATOM 0 HB VAL A 96 8.648 -2.737 5.661 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.689 -1.365 5.532 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.735 -2.494 6.907 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.671 -2.846 5.435 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.467 -1.951 3.476 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.396 -3.457 3.288 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.618 -3.510 3.344 1.00 0.38 H new ATOM 1401 N ARG A 97 7.296 -5.185 6.080 1.00 0.24 N ATOM 1402 CA ARG A 97 5.979 -5.748 5.822 1.00 0.22 C ATOM 1403 C ARG A 97 5.047 -4.675 5.273 1.00 0.18 C ATOM 1404 O ARG A 97 5.128 -3.507 5.664 1.00 0.18 O ATOM 1405 CB ARG A 97 5.396 -6.344 7.106 1.00 0.27 C ATOM 1406 CG ARG A 97 4.018 -6.960 6.927 1.00 0.69 C ATOM 1407 CD ARG A 97 3.511 -7.573 8.221 1.00 0.71 C ATOM 1408 NE ARG A 97 2.166 -8.122 8.079 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.477 -8.657 9.082 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.006 -8.715 10.298 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.259 -9.135 8.871 1.00 2.37 N ATOM 0 H ARG A 97 7.371 -4.687 6.967 1.00 0.24 H new ATOM 0 HA ARG A 97 6.078 -6.541 5.081 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.078 -7.106 7.484 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.339 -5.563 7.864 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.318 -6.197 6.586 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.058 -7.725 6.152 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.192 -8.362 8.539 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.512 -6.816 9.005 1.00 0.71 H new ATOM 0 HE ARG A 97 1.730 -8.093 7.157 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.943 -8.349 10.464 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.475 -9.126 11.066 1.00 0.88 H new ATOM 0 HH21 ARG A 97 -0.151 -9.093 7.938 1.00 2.37 H new ATOM 0 HH22 ARG A 97 -0.268 -9.545 9.642 1.00 2.37 H new ATOM 1425 N LEU A 98 4.166 -5.076 4.365 1.00 0.19 N ATOM 1426 CA LEU A 98 3.221 -4.152 3.753 1.00 0.18 C ATOM 1427 C LEU A 98 1.784 -4.553 4.073 1.00 0.18 C ATOM 1428 O LEU A 98 1.252 -5.498 3.489 1.00 0.30 O ATOM 1429 CB LEU A 98 3.426 -4.129 2.237 1.00 0.23 C ATOM 1430 CG LEU A 98 4.856 -3.831 1.776 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.048 -4.247 0.326 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.176 -2.354 1.946 1.00 0.37 C ATOM 0 H LEU A 98 4.087 -6.038 4.036 1.00 0.19 H new ATOM 0 HA LEU A 98 3.400 -3.157 4.160 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.124 -5.095 1.831 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.760 -3.381 1.808 1.00 0.23 H new ATOM 0 HG LEU A 98 5.541 -4.408 2.397 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.070 -4.027 0.017 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.861 -5.316 0.226 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.351 -3.696 -0.306 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.196 -2.162 1.613 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.482 -1.761 1.350 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.079 -2.079 2.996 1.00 0.37 H new ATOM 1444 N LEU A 99 1.157 -3.834 5.001 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.221 -4.125 5.384 1.00 0.19 C ATOM 1446 C LEU A 99 -1.186 -3.197 4.654 1.00 0.19 C ATOM 1447 O LEU A 99 -1.310 -2.020 4.994 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.402 -3.987 6.897 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.757 -4.458 7.433 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.937 -5.951 7.202 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.892 -4.125 8.911 1.00 0.36 C ATOM 0 H LEU A 99 1.579 -3.050 5.499 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.442 -5.154 5.100 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.385 -4.553 7.395 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.264 -2.941 7.170 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.541 -3.932 6.889 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.906 -6.265 7.590 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.888 -6.162 6.134 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.146 -6.497 7.716 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.861 -4.467 9.274 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.099 -4.622 9.470 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.813 -3.047 9.050 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.867 -3.736 3.648 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.814 -2.957 2.860 1.00 0.23 C ATOM 1465 C LEU A 100 -4.124 -3.714 2.658 1.00 0.24 C ATOM 1466 O LEU A 100 -4.174 -4.937 2.784 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.202 -2.605 1.500 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.246 -3.655 0.918 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.973 -4.961 0.638 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.591 -3.132 -0.350 1.00 0.31 C ATOM 0 H LEU A 100 -1.780 -4.710 3.359 1.00 0.22 H new ATOM 0 HA LEU A 100 -3.032 -2.041 3.408 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -3.011 -2.440 0.788 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.664 -1.662 1.596 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.470 -3.851 1.658 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.272 -5.687 0.226 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.394 -5.349 1.565 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.775 -4.785 -0.079 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.084 -3.889 -0.750 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.359 -2.904 -1.089 1.00 0.31 H new ATOM 0 HD23 LEU A 100 -0.027 -2.227 -0.122 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.185 -2.975 2.351 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.492 -3.575 2.117 1.00 0.29 C ATOM 1484 C ILE A 101 -6.813 -3.578 0.625 1.00 0.32 C ATOM 1485 O ILE A 101 -6.600 -2.581 -0.067 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.602 -2.830 2.888 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.954 -3.519 2.674 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.666 -1.372 2.456 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -10.064 -2.955 3.535 1.00 0.45 C ATOM 0 H ILE A 101 -5.165 -1.959 2.259 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.455 -4.601 2.482 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.366 -2.859 3.952 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.237 -3.428 1.625 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.847 -4.583 2.884 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.454 -0.863 3.010 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.710 -0.890 2.659 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.880 -1.318 1.389 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.991 -3.491 3.330 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.803 -3.070 4.587 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -10.198 -1.897 3.309 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.323 -4.703 0.130 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.654 -4.826 -1.287 1.00 0.46 C ATOM 1503 C ARG A 102 -9.080 -5.327 -1.483 1.00 0.60 C ATOM 1504 O ARG A 102 -9.503 -6.294 -0.848 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.667 -5.770 -1.980 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.971 -6.010 -3.452 1.00 1.27 C ATOM 1507 CD ARG A 102 -6.883 -4.726 -4.264 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.041 -4.974 -5.695 1.00 1.49 N ATOM 1509 CZ ARG A 102 -7.325 -4.025 -6.583 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -7.493 -2.770 -6.188 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -7.439 -4.331 -7.867 1.00 2.20 N ATOM 0 H ARG A 102 -7.515 -5.537 0.685 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.580 -3.835 -1.735 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.662 -5.359 -1.889 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.668 -6.727 -1.458 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.270 -6.742 -3.853 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -7.969 -6.436 -3.552 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -7.653 -4.031 -3.929 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -5.921 -4.247 -4.083 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.927 -5.930 -6.033 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -7.405 -2.530 -5.201 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -7.711 -2.045 -6.872 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -7.309 -5.295 -8.175 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -7.657 -3.603 -8.547 1.00 2.20 H new ATOM 1525 N ARG A 103 -9.815 -4.662 -2.370 1.00 0.73 N ATOM 1526 CA ARG A 103 -11.193 -5.040 -2.658 1.00 1.00 C ATOM 1527 C ARG A 103 -11.241 -6.137 -3.716 1.00 1.16 C ATOM 1528 O ARG A 103 -10.452 -6.139 -4.662 1.00 1.23 O ATOM 1529 CB ARG A 103 -11.994 -3.822 -3.127 1.00 1.28 C ATOM 1530 CG ARG A 103 -13.464 -4.119 -3.371 1.00 2.01 C ATOM 1531 CD ARG A 103 -14.231 -2.865 -3.766 1.00 2.24 C ATOM 1532 NE ARG A 103 -13.697 -2.254 -4.980 1.00 2.73 N ATOM 1533 CZ ARG A 103 -14.441 -1.600 -5.867 1.00 3.09 C ATOM 1534 NH1 ARG A 103 -15.749 -1.479 -5.681 1.00 2.90 N ATOM 1535 NH2 ARG A 103 -13.877 -1.065 -6.941 1.00 3.93 N ATOM 0 H ARG A 103 -9.478 -3.859 -2.901 1.00 0.73 H new ATOM 0 HA ARG A 103 -11.640 -5.423 -1.741 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -11.910 -3.033 -2.380 1.00 1.28 H new ATOM 0 HB3 ARG A 103 -11.552 -3.439 -4.047 1.00 1.28 H new ATOM 0 HG2 ARG A 103 -13.559 -4.867 -4.158 1.00 2.01 H new ATOM 0 HG3 ARG A 103 -13.904 -4.547 -2.470 1.00 2.01 H new ATOM 0 HD2 ARG A 103 -15.281 -3.116 -3.918 1.00 2.24 H new ATOM 0 HD3 ARG A 103 -14.191 -2.144 -2.950 1.00 2.24 H new ATOM 0 HE ARG A 103 -12.696 -2.333 -5.158 1.00 2.73 H new ATOM 0 HH11 ARG A 103 -16.187 -1.888 -4.856 1.00 2.90 H new ATOM 0 HH12 ARG A 103 -16.317 -0.977 -6.363 1.00 2.90 H new ATOM 0 HH21 ARG A 103 -12.872 -1.155 -7.087 1.00 3.93 H new ATOM 0 HH22 ARG A 103 -14.449 -0.564 -7.621 1.00 3.93 H new ATOM 1549 N LEU A 104 -12.173 -7.071 -3.549 1.00 1.32 N ATOM 1550 CA LEU A 104 -12.326 -8.179 -4.484 1.00 1.57 C ATOM 1551 C LEU A 104 -13.216 -7.776 -5.658 1.00 1.89 C ATOM 1552 O LEU A 104 -14.078 -6.908 -5.518 1.00 2.00 O ATOM 1553 CB LEU A 104 -12.925 -9.393 -3.767 1.00 1.68 C ATOM 1554 CG LEU A 104 -12.208 -9.809 -2.480 1.00 1.43 C ATOM 1555 CD1 LEU A 104 -12.979 -10.912 -1.771 1.00 1.46 C ATOM 1556 CD2 LEU A 104 -10.788 -10.263 -2.782 1.00 1.55 C ATOM 0 H LEU A 104 -12.835 -7.082 -2.773 1.00 1.32 H new ATOM 0 HA LEU A 104 -11.341 -8.441 -4.870 1.00 1.57 H new ATOM 0 HB2 LEU A 104 -13.967 -9.177 -3.530 1.00 1.68 H new ATOM 0 HB3 LEU A 104 -12.923 -10.239 -4.455 1.00 1.68 H new ATOM 0 HG LEU A 104 -12.160 -8.943 -1.820 1.00 1.43 H new ATOM 0 HD11 LEU A 104 -12.454 -11.194 -0.859 1.00 1.46 H new ATOM 0 HD12 LEU A 104 -13.977 -10.554 -1.519 1.00 1.46 H new ATOM 0 HD13 LEU A 104 -13.059 -11.779 -2.427 1.00 1.46 H new ATOM 0 HD21 LEU A 104 -10.294 -10.555 -1.855 1.00 1.55 H new ATOM 0 HD22 LEU A 104 -10.815 -11.114 -3.462 1.00 1.55 H new ATOM 0 HD23 LEU A 104 -10.236 -9.446 -3.246 1.00 1.55 H new ATOM 1568 N PRO A 105 -13.015 -8.395 -6.838 1.00 2.13 N ATOM 1569 CA PRO A 105 -13.810 -8.097 -8.034 1.00 2.48 C ATOM 1570 C PRO A 105 -15.176 -8.767 -7.995 1.00 2.69 C ATOM 1571 O PRO A 105 -15.509 -9.587 -8.851 1.00 2.98 O ATOM 1572 CB PRO A 105 -12.958 -8.683 -9.154 1.00 2.64 C ATOM 1573 CG PRO A 105 -12.316 -9.861 -8.516 1.00 2.51 C ATOM 1574 CD PRO A 105 -11.997 -9.432 -7.109 1.00 2.16 C ATOM 0 HA PRO A 105 -14.021 -7.033 -8.144 1.00 2.48 H new ATOM 0 HB2 PRO A 105 -13.565 -8.972 -10.012 1.00 2.64 H new ATOM 0 HB3 PRO A 105 -12.218 -7.967 -9.513 1.00 2.64 H new ATOM 0 HG2 PRO A 105 -12.983 -10.723 -8.522 1.00 2.51 H new ATOM 0 HG3 PRO A 105 -11.413 -10.154 -9.051 1.00 2.51 H new ATOM 0 HD2 PRO A 105 -12.071 -10.263 -6.407 1.00 2.16 H new ATOM 0 HD3 PRO A 105 -10.985 -9.035 -7.028 1.00 2.16 H new ATOM 1582 N LEU A 106 -15.955 -8.408 -6.989 1.00 2.81 N ATOM 1583 CA LEU A 106 -17.292 -8.962 -6.809 1.00 3.01 C ATOM 1584 C LEU A 106 -18.177 -8.667 -8.016 1.00 3.44 C ATOM 1585 O LEU A 106 -18.552 -7.520 -8.258 1.00 3.67 O ATOM 1586 CB LEU A 106 -17.937 -8.393 -5.542 1.00 2.96 C ATOM 1587 CG LEU A 106 -17.185 -8.687 -4.240 1.00 2.78 C ATOM 1588 CD1 LEU A 106 -17.836 -7.961 -3.073 1.00 2.74 C ATOM 1589 CD2 LEU A 106 -17.139 -10.186 -3.977 1.00 3.01 C ATOM 0 H LEU A 106 -15.684 -7.730 -6.277 1.00 2.81 H new ATOM 0 HA LEU A 106 -17.195 -10.043 -6.709 1.00 3.01 H new ATOM 0 HB2 LEU A 106 -18.029 -7.313 -5.654 1.00 2.96 H new ATOM 0 HB3 LEU A 106 -18.948 -8.792 -5.457 1.00 2.96 H new ATOM 0 HG LEU A 106 -16.162 -8.324 -4.344 1.00 2.78 H new ATOM 0 HD11 LEU A 106 -17.289 -8.181 -2.156 1.00 2.74 H new ATOM 0 HD12 LEU A 106 -17.818 -6.887 -3.257 1.00 2.74 H new ATOM 0 HD13 LEU A 106 -18.869 -8.294 -2.968 1.00 2.74 H new ATOM 0 HD21 LEU A 106 -16.601 -10.376 -3.048 1.00 3.01 H new ATOM 0 HD22 LEU A 106 -18.155 -10.572 -3.894 1.00 3.01 H new ATOM 0 HD23 LEU A 106 -16.628 -10.684 -4.801 1.00 3.01 H new ATOM 1601 N LEU A 107 -18.506 -9.711 -8.771 1.00 3.72 N ATOM 1602 CA LEU A 107 -19.349 -9.567 -9.952 1.00 4.24 C ATOM 1603 C LEU A 107 -20.773 -10.024 -9.659 1.00 4.27 C ATOM 1604 O LEU A 107 -21.070 -11.219 -9.695 1.00 4.13 O ATOM 1605 CB LEU A 107 -18.770 -10.372 -11.118 1.00 4.67 C ATOM 1606 CG LEU A 107 -17.347 -9.988 -11.533 1.00 4.91 C ATOM 1607 CD1 LEU A 107 -16.887 -10.846 -12.700 1.00 5.59 C ATOM 1608 CD2 LEU A 107 -17.274 -8.512 -11.897 1.00 4.58 C ATOM 0 H LEU A 107 -18.201 -10.666 -8.585 1.00 3.72 H new ATOM 0 HA LEU A 107 -19.374 -8.512 -10.226 1.00 4.24 H new ATOM 0 HB2 LEU A 107 -18.780 -11.428 -10.850 1.00 4.67 H new ATOM 0 HB3 LEU A 107 -19.427 -10.256 -11.980 1.00 4.67 H new ATOM 0 HG LEU A 107 -16.682 -10.165 -10.688 1.00 4.91 H new ATOM 0 HD11 LEU A 107 -15.874 -10.561 -12.984 1.00 5.59 H new ATOM 0 HD12 LEU A 107 -16.900 -11.896 -12.407 1.00 5.59 H new ATOM 0 HD13 LEU A 107 -17.556 -10.697 -13.547 1.00 5.59 H new ATOM 0 HD21 LEU A 107 -16.255 -8.259 -12.189 1.00 4.58 H new ATOM 0 HD22 LEU A 107 -17.950 -8.308 -12.727 1.00 4.58 H new ATOM 0 HD23 LEU A 107 -17.565 -7.910 -11.036 1.00 4.58 H new ATOM 1620 N GLU A 108 -21.649 -9.065 -9.368 1.00 4.57 N ATOM 1621 CA GLU A 108 -23.046 -9.363 -9.064 1.00 4.71 C ATOM 1622 C GLU A 108 -23.155 -10.301 -7.866 1.00 5.10 C ATOM 1623 O GLU A 108 -23.175 -11.532 -8.078 1.00 5.66 O ATOM 1624 CB GLU A 108 -23.739 -9.983 -10.281 1.00 5.08 C ATOM 1625 CG GLU A 108 -23.808 -9.054 -11.482 1.00 5.36 C ATOM 1626 CD GLU A 108 -24.470 -9.703 -12.682 1.00 5.66 C ATOM 1627 OE1 GLU A 108 -25.717 -9.683 -12.756 1.00 6.00 O ATOM 1628 OE2 GLU A 108 -23.742 -10.231 -13.549 1.00 5.89 O ATOM 1629 OXT GLU A 108 -23.219 -9.796 -6.725 1.00 5.19 O ATOM 0 H GLU A 108 -21.415 -8.073 -9.336 1.00 4.57 H new ATOM 0 HA GLU A 108 -23.543 -8.426 -8.814 1.00 4.71 H new ATOM 0 HB2 GLU A 108 -23.210 -10.892 -10.566 1.00 5.08 H new ATOM 0 HB3 GLU A 108 -24.751 -10.277 -10.002 1.00 5.08 H new ATOM 0 HG2 GLU A 108 -24.359 -8.154 -11.210 1.00 5.36 H new ATOM 0 HG3 GLU A 108 -22.800 -8.740 -11.753 1.00 5.36 H new TER 1636 GLU A 108