USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 65 LYS NZ :NH3+ -157:sc= 1.81 (180deg=0.311) USER MOD Set 1.2: A 66 ASN : amide:sc= 1.66 K(o=3.5,f=-7.8!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0587 (180deg=-0.471) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.77) USER MOD Single : A 17 ASN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= 1.31 (180deg=0.646) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.547! (180deg=-1.29) USER MOD Single : A 32 SER OG : rot 180:sc= -0.413 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 178:sc= -1.1 USER MOD Single : A 44 MET CE :methyl 146:sc= -4.96! (180deg=-9.32!) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0107 (180deg=-0.163) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.07) USER MOD Single : A 69 THR OG1 : rot -85:sc= 0.25 USER MOD Single : A 74 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.0477 (180deg=-0.298) USER MOD Single : A 76 TYR OH : rot -91:sc= 1.32 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.606 F(o=-1.4,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.097 4.695 -4.250 1.00 0.00 N ATOM 2 CA MET A 1 17.391 5.607 -3.326 1.00 0.00 C ATOM 3 C MET A 1 16.096 4.972 -2.849 1.00 0.00 C ATOM 4 O MET A 1 15.262 4.559 -3.655 1.00 0.00 O ATOM 5 CB MET A 1 17.091 6.945 -4.011 1.00 0.00 C ATOM 6 CG MET A 1 16.333 7.924 -3.125 1.00 0.00 C ATOM 7 SD MET A 1 15.984 9.495 -3.945 1.00 0.00 S ATOM 8 CE MET A 1 17.640 10.136 -4.184 1.00 0.00 C ATOM 0 H1 MET A 1 18.981 5.140 -4.569 1.00 0.00 H new ATOM 0 H2 MET A 1 18.316 3.804 -3.759 1.00 0.00 H new ATOM 0 H3 MET A 1 17.492 4.498 -5.073 1.00 0.00 H new ATOM 0 HA MET A 1 18.037 5.791 -2.467 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.030 7.402 -4.324 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.510 6.760 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.394 7.468 -2.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.914 8.113 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.590 11.204 -4.394 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.228 9.971 -3.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.111 9.623 -5.023 1.00 0.00 H new ATOM 20 N ALA A 2 15.941 4.885 -1.539 1.00 0.00 N ATOM 21 CA ALA A 2 14.752 4.297 -0.948 1.00 0.00 C ATOM 22 C ALA A 2 13.691 5.359 -0.681 1.00 0.00 C ATOM 23 O ALA A 2 14.010 6.507 -0.364 1.00 0.00 O ATOM 24 CB ALA A 2 15.114 3.571 0.335 1.00 0.00 C ATOM 0 H ALA A 2 16.628 5.216 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 2 14.336 3.579 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.216 3.133 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.833 2.782 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.553 4.276 1.041 1.00 0.00 H new ATOM 30 N ALA A 3 12.434 4.967 -0.798 1.00 0.00 N ATOM 31 CA ALA A 3 11.327 5.880 -0.601 1.00 0.00 C ATOM 32 C ALA A 3 10.918 5.883 0.854 1.00 0.00 C ATOM 33 O ALA A 3 10.840 4.829 1.485 1.00 0.00 O ATOM 34 CB ALA A 3 10.152 5.482 -1.479 1.00 0.00 C ATOM 0 H ALA A 3 12.156 4.014 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 3 11.642 6.885 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.327 6.177 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.454 5.510 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.831 4.473 -1.221 1.00 0.00 H new ATOM 40 N THR A 4 10.666 7.055 1.398 1.00 0.00 N ATOM 41 CA THR A 4 10.240 7.143 2.773 1.00 0.00 C ATOM 42 C THR A 4 8.725 7.314 2.823 1.00 0.00 C ATOM 43 O THR A 4 8.060 7.184 1.792 1.00 0.00 O ATOM 44 CB THR A 4 10.948 8.291 3.510 1.00 0.00 C ATOM 45 OG1 THR A 4 12.222 8.541 2.897 1.00 0.00 O ATOM 46 CG2 THR A 4 11.167 7.920 4.970 1.00 0.00 C ATOM 0 H THR A 4 10.748 7.949 0.913 1.00 0.00 H new ATOM 0 HA THR A 4 10.514 6.220 3.283 1.00 0.00 H new ATOM 0 HB THR A 4 10.325 9.183 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.672 9.274 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.669 8.740 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.205 7.730 5.445 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.784 7.023 5.029 1.00 0.00 H new ATOM 54 N GLN A 5 8.191 7.596 4.007 1.00 0.00 N ATOM 55 CA GLN A 5 6.748 7.664 4.227 1.00 0.00 C ATOM 56 C GLN A 5 6.040 8.517 3.177 1.00 0.00 C ATOM 57 O GLN A 5 5.108 8.057 2.533 1.00 0.00 O ATOM 58 CB GLN A 5 6.454 8.231 5.617 1.00 0.00 C ATOM 59 CG GLN A 5 5.063 7.894 6.130 1.00 0.00 C ATOM 60 CD GLN A 5 4.903 6.416 6.426 1.00 0.00 C ATOM 61 OE1 GLN A 5 5.175 5.954 7.532 1.00 0.00 O ATOM 62 NE2 GLN A 5 4.446 5.666 5.439 1.00 0.00 N ATOM 0 H GLN A 5 8.745 7.784 4.842 1.00 0.00 H new ATOM 0 HA GLN A 5 6.366 6.646 4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.194 7.849 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.570 9.315 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.863 8.468 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.322 8.197 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.232 6.088 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.307 4.665 5.581 1.00 0.00 H new ATOM 71 N GLU A 6 6.503 9.742 2.999 1.00 0.00 N ATOM 72 CA GLU A 6 5.840 10.699 2.119 1.00 0.00 C ATOM 73 C GLU A 6 5.815 10.219 0.660 1.00 0.00 C ATOM 74 O GLU A 6 4.773 10.250 0.008 1.00 0.00 O ATOM 75 CB GLU A 6 6.506 12.087 2.235 1.00 0.00 C ATOM 76 CG GLU A 6 7.946 12.173 1.720 1.00 0.00 C ATOM 77 CD GLU A 6 8.882 11.192 2.393 1.00 0.00 C ATOM 78 OE1 GLU A 6 9.275 11.433 3.555 1.00 0.00 O ATOM 79 OE2 GLU A 6 9.208 10.162 1.772 1.00 0.00 O ATOM 0 H GLU A 6 7.341 10.103 3.454 1.00 0.00 H new ATOM 0 HA GLU A 6 4.803 10.782 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.899 12.809 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.494 12.390 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.952 11.991 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.320 13.185 1.874 1.00 0.00 H new ATOM 86 N GLU A 7 6.949 9.749 0.160 1.00 0.00 N ATOM 87 CA GLU A 7 7.050 9.353 -1.240 1.00 0.00 C ATOM 88 C GLU A 7 6.361 8.015 -1.488 1.00 0.00 C ATOM 89 O GLU A 7 5.641 7.848 -2.475 1.00 0.00 O ATOM 90 CB GLU A 7 8.512 9.259 -1.666 1.00 0.00 C ATOM 91 CG GLU A 7 8.694 9.028 -3.163 1.00 0.00 C ATOM 92 CD GLU A 7 10.142 8.868 -3.576 1.00 0.00 C ATOM 93 OE1 GLU A 7 10.801 9.889 -3.860 1.00 0.00 O ATOM 94 OE2 GLU A 7 10.619 7.718 -3.649 1.00 0.00 O ATOM 0 H GLU A 7 7.808 9.632 0.698 1.00 0.00 H new ATOM 0 HA GLU A 7 6.549 10.118 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.025 10.178 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.990 8.446 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.140 8.136 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.259 9.866 -3.708 1.00 0.00 H new ATOM 101 N ILE A 8 6.579 7.065 -0.587 1.00 0.00 N ATOM 102 CA ILE A 8 5.985 5.745 -0.720 1.00 0.00 C ATOM 103 C ILE A 8 4.461 5.870 -0.646 1.00 0.00 C ATOM 104 O ILE A 8 3.735 5.166 -1.342 1.00 0.00 O ATOM 105 CB ILE A 8 6.534 4.777 0.363 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.375 3.306 -0.057 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.865 5.028 1.706 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.975 2.753 0.094 1.00 0.00 C ATOM 0 H ILE A 8 7.162 7.186 0.241 1.00 0.00 H new ATOM 0 HA ILE A 8 6.255 5.322 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 8 7.600 4.977 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.681 3.205 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.057 2.697 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.267 4.337 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.058 6.053 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.790 4.874 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.959 1.711 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.669 2.817 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.287 3.332 -0.522 1.00 0.00 H new ATOM 120 N VAL A 9 3.994 6.819 0.160 1.00 0.00 N ATOM 121 CA VAL A 9 2.577 7.118 0.255 1.00 0.00 C ATOM 122 C VAL A 9 2.065 7.654 -1.073 1.00 0.00 C ATOM 123 O VAL A 9 1.002 7.258 -1.537 1.00 0.00 O ATOM 124 CB VAL A 9 2.297 8.126 1.393 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.008 8.901 1.154 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.217 7.399 2.728 1.00 0.00 C ATOM 0 H VAL A 9 4.585 7.395 0.759 1.00 0.00 H new ATOM 0 HA VAL A 9 2.047 6.195 0.489 1.00 0.00 H new ATOM 0 HB VAL A 9 3.121 8.839 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.846 9.599 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.084 9.454 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.170 8.206 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.019 8.118 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.412 6.665 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.162 6.893 2.924 1.00 0.00 H new ATOM 136 N ALA A 10 2.843 8.529 -1.696 1.00 0.00 N ATOM 137 CA ALA A 10 2.484 9.073 -2.996 1.00 0.00 C ATOM 138 C ALA A 10 2.373 7.957 -4.034 1.00 0.00 C ATOM 139 O ALA A 10 1.410 7.901 -4.798 1.00 0.00 O ATOM 140 CB ALA A 10 3.502 10.111 -3.436 1.00 0.00 C ATOM 0 H ALA A 10 3.726 8.876 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 10 1.512 9.558 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.219 10.508 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.532 10.922 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.487 9.649 -3.505 1.00 0.00 H new ATOM 146 N GLY A 11 3.361 7.064 -4.038 1.00 0.00 N ATOM 147 CA GLY A 11 3.356 5.938 -4.955 1.00 0.00 C ATOM 148 C GLY A 11 2.234 4.960 -4.652 1.00 0.00 C ATOM 149 O GLY A 11 1.610 4.414 -5.566 1.00 0.00 O ATOM 0 H GLY A 11 4.170 7.102 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.252 6.303 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.313 5.420 -4.898 1.00 0.00 H new ATOM 153 N LEU A 12 1.985 4.736 -3.364 1.00 0.00 N ATOM 154 CA LEU A 12 0.897 3.871 -2.924 1.00 0.00 C ATOM 155 C LEU A 12 -0.441 4.485 -3.328 1.00 0.00 C ATOM 156 O LEU A 12 -1.281 3.822 -3.933 1.00 0.00 O ATOM 157 CB LEU A 12 0.964 3.681 -1.399 1.00 0.00 C ATOM 158 CG LEU A 12 0.863 2.237 -0.891 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.467 1.616 -1.276 1.00 0.00 C ATOM 160 CD2 LEU A 12 2.013 1.396 -1.422 1.00 0.00 C ATOM 0 H LEU A 12 2.527 5.145 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 12 0.994 2.895 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.903 4.105 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.160 4.261 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 12 0.926 2.262 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.512 0.593 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.280 2.197 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.566 1.612 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.921 0.376 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.985 1.388 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.959 1.821 -1.087 1.00 0.00 H new ATOM 172 N ALA A 13 -0.614 5.766 -3.014 1.00 0.00 N ATOM 173 CA ALA A 13 -1.831 6.502 -3.352 1.00 0.00 C ATOM 174 C ALA A 13 -2.112 6.445 -4.843 1.00 0.00 C ATOM 175 O ALA A 13 -3.221 6.116 -5.269 1.00 0.00 O ATOM 176 CB ALA A 13 -1.699 7.951 -2.918 1.00 0.00 C ATOM 0 H ALA A 13 0.083 6.323 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.663 6.034 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.610 8.492 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.541 7.995 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.851 8.408 -3.428 1.00 0.00 H new ATOM 182 N GLU A 14 -1.086 6.770 -5.619 1.00 0.00 N ATOM 183 CA GLU A 14 -1.159 6.783 -7.072 1.00 0.00 C ATOM 184 C GLU A 14 -1.690 5.451 -7.602 1.00 0.00 C ATOM 185 O GLU A 14 -2.447 5.409 -8.573 1.00 0.00 O ATOM 186 CB GLU A 14 0.243 7.053 -7.625 1.00 0.00 C ATOM 187 CG GLU A 14 0.317 7.217 -9.130 1.00 0.00 C ATOM 188 CD GLU A 14 1.734 7.469 -9.589 1.00 0.00 C ATOM 189 OE1 GLU A 14 2.171 8.640 -9.575 1.00 0.00 O ATOM 190 OE2 GLU A 14 2.424 6.495 -9.946 1.00 0.00 O ATOM 0 H GLU A 14 -0.172 7.034 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.846 7.565 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.634 7.956 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.897 6.232 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.070 6.320 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.320 8.046 -9.439 1.00 0.00 H new ATOM 197 N ILE A 15 -1.302 4.371 -6.939 1.00 0.00 N ATOM 198 CA ILE A 15 -1.655 3.038 -7.382 1.00 0.00 C ATOM 199 C ILE A 15 -3.011 2.580 -6.825 1.00 0.00 C ATOM 200 O ILE A 15 -3.797 1.958 -7.540 1.00 0.00 O ATOM 201 CB ILE A 15 -0.519 2.042 -7.045 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.093 1.526 -8.350 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.998 0.896 -6.161 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.368 0.742 -8.162 1.00 0.00 C ATOM 0 H ILE A 15 -0.740 4.397 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.771 3.064 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 15 0.243 2.566 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.637 0.896 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.293 2.374 -9.006 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.165 0.225 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.385 1.296 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.787 0.346 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.738 0.412 -9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.116 1.374 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.172 -0.127 -7.534 1.00 0.00 H new ATOM 216 N VAL A 16 -3.305 2.900 -5.567 1.00 0.00 N ATOM 217 CA VAL A 16 -4.579 2.497 -4.974 1.00 0.00 C ATOM 218 C VAL A 16 -5.722 3.286 -5.603 1.00 0.00 C ATOM 219 O VAL A 16 -6.869 2.836 -5.626 1.00 0.00 O ATOM 220 CB VAL A 16 -4.615 2.697 -3.443 1.00 0.00 C ATOM 221 CG1 VAL A 16 -5.916 2.162 -2.870 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.435 2.015 -2.779 1.00 0.00 C ATOM 0 H VAL A 16 -2.691 3.428 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.693 1.432 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.552 3.766 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.926 2.310 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.756 2.693 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.001 1.098 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.484 2.171 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.465 0.947 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.507 2.436 -3.165 1.00 0.00 H new ATOM 232 N ASN A 17 -5.399 4.465 -6.120 1.00 0.00 N ATOM 233 CA ASN A 17 -6.381 5.298 -6.803 1.00 0.00 C ATOM 234 C ASN A 17 -6.913 4.571 -8.039 1.00 0.00 C ATOM 235 O ASN A 17 -8.034 4.819 -8.481 1.00 0.00 O ATOM 236 CB ASN A 17 -5.763 6.651 -7.192 1.00 0.00 C ATOM 237 CG ASN A 17 -6.808 7.659 -7.641 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.130 7.757 -8.824 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.336 8.427 -6.697 1.00 0.00 N ATOM 0 H ASN A 17 -4.462 4.867 -6.079 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.213 5.489 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.215 7.055 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.040 6.500 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.035 9.129 -6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.043 8.316 -5.726 1.00 0.00 H new ATOM 246 N GLU A 18 -6.113 3.641 -8.568 1.00 0.00 N ATOM 247 CA GLU A 18 -6.537 2.819 -9.698 1.00 0.00 C ATOM 248 C GLU A 18 -7.578 1.805 -9.237 1.00 0.00 C ATOM 249 O GLU A 18 -8.560 1.536 -9.932 1.00 0.00 O ATOM 250 CB GLU A 18 -5.348 2.074 -10.331 1.00 0.00 C ATOM 251 CG GLU A 18 -5.680 1.479 -11.693 1.00 0.00 C ATOM 252 CD GLU A 18 -4.485 0.859 -12.387 1.00 0.00 C ATOM 253 OE1 GLU A 18 -3.672 1.606 -12.969 1.00 0.00 O ATOM 254 OE2 GLU A 18 -4.366 -0.382 -12.377 1.00 0.00 O ATOM 0 H GLU A 18 -5.171 3.441 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.966 3.481 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.509 2.761 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.026 1.277 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.453 0.721 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.096 2.259 -12.330 1.00 0.00 H new ATOM 261 N ILE A 19 -7.352 1.261 -8.048 1.00 0.00 N ATOM 262 CA ILE A 19 -8.218 0.237 -7.491 1.00 0.00 C ATOM 263 C ILE A 19 -9.552 0.826 -7.042 1.00 0.00 C ATOM 264 O ILE A 19 -10.618 0.317 -7.393 1.00 0.00 O ATOM 265 CB ILE A 19 -7.559 -0.458 -6.282 1.00 0.00 C ATOM 266 CG1 ILE A 19 -6.128 -0.896 -6.610 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.389 -1.654 -5.864 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.419 -1.588 -5.459 1.00 0.00 C ATOM 0 H ILE A 19 -6.568 1.517 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.388 -0.493 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.512 0.255 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.152 -1.569 -7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.550 -0.021 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.920 -2.142 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.390 -1.323 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.455 -2.359 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.412 -1.868 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.362 -0.911 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.973 -2.483 -5.175 1.00 0.00 H new ATOM 280 N ALA A 20 -9.484 1.893 -6.259 1.00 0.00 N ATOM 281 CA ALA A 20 -10.685 2.499 -5.710 1.00 0.00 C ATOM 282 C ALA A 20 -10.755 3.985 -6.041 1.00 0.00 C ATOM 283 O ALA A 20 -11.484 4.390 -6.946 1.00 0.00 O ATOM 284 CB ALA A 20 -10.740 2.264 -4.210 1.00 0.00 C ATOM 0 H ALA A 20 -8.614 2.354 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.555 2.028 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.642 2.720 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.753 1.193 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.864 2.710 -3.739 1.00 0.00 H new ATOM 290 N GLY A 21 -9.995 4.795 -5.318 1.00 0.00 N ATOM 291 CA GLY A 21 -9.950 6.209 -5.623 1.00 0.00 C ATOM 292 C GLY A 21 -9.816 7.095 -4.399 1.00 0.00 C ATOM 293 O GLY A 21 -10.501 8.110 -4.291 1.00 0.00 O ATOM 0 H GLY A 21 -9.414 4.501 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.111 6.400 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.857 6.484 -6.162 1.00 0.00 H new ATOM 297 N ILE A 22 -8.940 6.726 -3.475 1.00 0.00 N ATOM 298 CA ILE A 22 -8.618 7.612 -2.365 1.00 0.00 C ATOM 299 C ILE A 22 -7.715 8.735 -2.871 1.00 0.00 C ATOM 300 O ILE A 22 -6.794 8.484 -3.655 1.00 0.00 O ATOM 301 CB ILE A 22 -7.927 6.862 -1.186 1.00 0.00 C ATOM 302 CG1 ILE A 22 -8.943 6.060 -0.357 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.165 7.828 -0.286 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.070 6.894 0.213 1.00 0.00 C ATOM 0 H ILE A 22 -8.446 5.834 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.552 8.019 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.215 6.163 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.367 5.274 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.419 5.567 0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.695 7.274 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.398 8.340 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.856 8.562 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.743 6.254 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.659 7.663 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.621 7.366 -0.601 1.00 0.00 H new ATOM 316 N PRO A 23 -8.001 9.988 -2.478 1.00 0.00 N ATOM 317 CA PRO A 23 -7.155 11.131 -2.821 1.00 0.00 C ATOM 318 C PRO A 23 -5.702 10.893 -2.413 1.00 0.00 C ATOM 319 O PRO A 23 -5.434 10.279 -1.379 1.00 0.00 O ATOM 320 CB PRO A 23 -7.762 12.284 -2.018 1.00 0.00 C ATOM 321 CG PRO A 23 -9.177 11.886 -1.782 1.00 0.00 C ATOM 322 CD PRO A 23 -9.177 10.387 -1.677 1.00 0.00 C ATOM 0 HA PRO A 23 -7.130 11.323 -3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.232 12.432 -1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.703 13.223 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.562 12.340 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.817 12.219 -2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.089 10.057 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.097 9.956 -2.072 1.00 0.00 H new ATOM 330 N VAL A 24 -4.773 11.385 -3.220 1.00 0.00 N ATOM 331 CA VAL A 24 -3.352 11.151 -2.989 1.00 0.00 C ATOM 332 C VAL A 24 -2.920 11.698 -1.627 1.00 0.00 C ATOM 333 O VAL A 24 -2.127 11.078 -0.921 1.00 0.00 O ATOM 334 CB VAL A 24 -2.495 11.776 -4.112 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.008 11.553 -3.861 1.00 0.00 C ATOM 336 CG2 VAL A 24 -2.903 11.201 -5.463 1.00 0.00 C ATOM 0 H VAL A 24 -4.977 11.951 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.192 10.073 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.672 12.851 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.431 12.004 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.726 12.012 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.802 10.483 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.293 11.648 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.754 10.121 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.954 11.422 -5.650 1.00 0.00 H new ATOM 346 N GLU A 25 -3.473 12.845 -1.253 1.00 0.00 N ATOM 347 CA GLU A 25 -3.180 13.452 0.041 1.00 0.00 C ATOM 348 C GLU A 25 -3.876 12.708 1.186 1.00 0.00 C ATOM 349 O GLU A 25 -3.498 12.854 2.348 1.00 0.00 O ATOM 350 CB GLU A 25 -3.615 14.919 0.051 1.00 0.00 C ATOM 351 CG GLU A 25 -2.850 15.805 -0.923 1.00 0.00 C ATOM 352 CD GLU A 25 -1.387 15.965 -0.556 1.00 0.00 C ATOM 353 OE1 GLU A 25 -1.098 16.476 0.550 1.00 0.00 O ATOM 354 OE2 GLU A 25 -0.522 15.590 -1.370 1.00 0.00 O ATOM 0 H GLU A 25 -4.128 13.375 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.103 13.386 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.678 14.972 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.492 15.316 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.923 15.382 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.320 16.788 -0.957 1.00 0.00 H new ATOM 361 N ASP A 26 -4.890 11.908 0.865 1.00 0.00 N ATOM 362 CA ASP A 26 -5.723 11.295 1.900 1.00 0.00 C ATOM 363 C ASP A 26 -5.141 9.974 2.377 1.00 0.00 C ATOM 364 O ASP A 26 -5.530 9.467 3.427 1.00 0.00 O ATOM 365 CB ASP A 26 -7.149 11.060 1.404 1.00 0.00 C ATOM 366 CG ASP A 26 -8.127 10.930 2.555 1.00 0.00 C ATOM 367 OD1 ASP A 26 -8.025 11.723 3.515 1.00 0.00 O ATOM 368 OD2 ASP A 26 -8.984 10.025 2.514 1.00 0.00 O ATOM 0 H ASP A 26 -5.154 11.670 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.745 11.996 2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.452 11.886 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.179 10.155 0.797 1.00 0.00 H new ATOM 373 N VAL A 27 -4.226 9.408 1.605 1.00 0.00 N ATOM 374 CA VAL A 27 -3.611 8.143 1.976 1.00 0.00 C ATOM 375 C VAL A 27 -2.788 8.304 3.252 1.00 0.00 C ATOM 376 O VAL A 27 -1.815 9.058 3.301 1.00 0.00 O ATOM 377 CB VAL A 27 -2.749 7.566 0.836 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.024 6.304 1.284 1.00 0.00 C ATOM 379 CG2 VAL A 27 -3.619 7.270 -0.378 1.00 0.00 C ATOM 0 H VAL A 27 -3.895 9.801 0.724 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.413 7.430 2.165 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.999 8.309 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.423 5.918 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.375 6.537 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.754 5.552 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.001 6.863 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.387 6.545 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.093 8.190 -0.719 1.00 0.00 H new ATOM 389 N LYS A 28 -3.210 7.590 4.286 1.00 0.00 N ATOM 390 CA LYS A 28 -2.665 7.746 5.621 1.00 0.00 C ATOM 391 C LYS A 28 -2.547 6.382 6.274 1.00 0.00 C ATOM 392 O LYS A 28 -3.192 5.429 5.843 1.00 0.00 O ATOM 393 CB LYS A 28 -3.580 8.653 6.459 1.00 0.00 C ATOM 394 CG LYS A 28 -3.721 10.065 5.909 1.00 0.00 C ATOM 395 CD LYS A 28 -5.040 10.706 6.326 1.00 0.00 C ATOM 396 CE LYS A 28 -5.238 12.054 5.643 1.00 0.00 C ATOM 397 NZ LYS A 28 -6.642 12.540 5.741 1.00 0.00 N ATOM 0 H LYS A 28 -3.943 6.884 4.219 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.679 8.206 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.568 8.198 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.190 8.707 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.891 10.677 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.657 10.039 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.866 10.042 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.057 10.837 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.570 12.788 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.958 11.971 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.652 13.580 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.195 12.168 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.061 12.212 6.634 1.00 0.00 H new ATOM 411 N LEU A 29 -1.750 6.289 7.320 1.00 0.00 N ATOM 412 CA LEU A 29 -1.519 5.013 7.978 1.00 0.00 C ATOM 413 C LEU A 29 -2.681 4.657 8.900 1.00 0.00 C ATOM 414 O LEU A 29 -2.717 3.569 9.472 1.00 0.00 O ATOM 415 CB LEU A 29 -0.198 5.033 8.760 1.00 0.00 C ATOM 416 CG LEU A 29 1.058 4.672 7.950 1.00 0.00 C ATOM 417 CD1 LEU A 29 1.194 5.553 6.719 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.305 4.777 8.815 1.00 0.00 C ATOM 0 H LEU A 29 -1.252 7.077 7.733 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.449 4.246 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.062 6.028 9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.281 4.339 9.597 1.00 0.00 H new ATOM 0 HG LEU A 29 0.950 3.640 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.092 5.272 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.321 5.423 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.267 6.597 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.182 4.517 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.406 5.797 9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.221 4.092 9.659 1.00 0.00 H new ATOM 430 N ASP A 30 -3.641 5.566 9.025 1.00 0.00 N ATOM 431 CA ASP A 30 -4.774 5.345 9.915 1.00 0.00 C ATOM 432 C ASP A 30 -6.027 4.934 9.148 1.00 0.00 C ATOM 433 O ASP A 30 -7.021 4.538 9.757 1.00 0.00 O ATOM 434 CB ASP A 30 -5.068 6.595 10.752 1.00 0.00 C ATOM 435 CG ASP A 30 -5.506 7.778 9.912 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.622 8.494 9.395 1.00 0.00 O ATOM 437 OD2 ASP A 30 -6.729 7.999 9.764 1.00 0.00 O ATOM 0 H ASP A 30 -3.658 6.455 8.526 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.497 4.527 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.846 6.364 11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.176 6.867 11.316 1.00 0.00 H new ATOM 442 N LYS A 31 -5.990 4.996 7.816 1.00 0.00 N ATOM 443 CA LYS A 31 -7.166 4.667 7.041 1.00 0.00 C ATOM 444 C LYS A 31 -7.041 3.217 6.570 1.00 0.00 C ATOM 445 O LYS A 31 -5.971 2.772 6.155 1.00 0.00 O ATOM 446 CB LYS A 31 -7.351 5.679 5.896 1.00 0.00 C ATOM 447 CG LYS A 31 -6.835 5.230 4.547 1.00 0.00 C ATOM 448 CD LYS A 31 -6.382 6.392 3.686 1.00 0.00 C ATOM 449 CE LYS A 31 -7.541 7.159 3.057 1.00 0.00 C ATOM 450 NZ LYS A 31 -8.330 7.947 4.044 1.00 0.00 N ATOM 0 H LYS A 31 -5.172 5.266 7.269 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.071 4.741 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.413 5.907 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.848 6.607 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.002 4.541 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.618 4.679 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.788 7.076 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.730 6.019 2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.151 7.832 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.203 6.455 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.838 8.710 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.015 7.324 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.689 8.358 4.752 1.00 0.00 H new ATOM 464 N SER A 32 -8.110 2.457 6.703 1.00 0.00 N ATOM 465 CA SER A 32 -8.039 1.019 6.477 1.00 0.00 C ATOM 466 C SER A 32 -8.310 0.669 5.015 1.00 0.00 C ATOM 467 O SER A 32 -9.164 1.272 4.385 1.00 0.00 O ATOM 468 CB SER A 32 -9.037 0.310 7.394 1.00 0.00 C ATOM 469 OG SER A 32 -8.846 0.697 8.743 1.00 0.00 O ATOM 0 H SER A 32 -9.033 2.803 6.964 1.00 0.00 H new ATOM 0 HA SER A 32 -7.029 0.681 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.055 0.548 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.919 -0.770 7.301 1.00 0.00 H new ATOM 0 HG SER A 32 -9.496 0.233 9.312 1.00 0.00 H new ATOM 475 N PHE A 33 -7.572 -0.305 4.481 1.00 0.00 N ATOM 476 CA PHE A 33 -7.788 -0.776 3.115 1.00 0.00 C ATOM 477 C PHE A 33 -9.210 -1.286 2.956 1.00 0.00 C ATOM 478 O PHE A 33 -9.936 -0.882 2.049 1.00 0.00 O ATOM 479 CB PHE A 33 -6.812 -1.904 2.764 1.00 0.00 C ATOM 480 CG PHE A 33 -5.609 -1.462 1.975 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.756 -0.682 0.839 1.00 0.00 C ATOM 482 CD2 PHE A 33 -4.335 -1.851 2.353 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.654 -0.284 0.106 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.230 -1.460 1.621 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.390 -0.680 0.493 1.00 0.00 C ATOM 0 H PHE A 33 -6.819 -0.783 4.976 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.618 0.064 2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.473 -2.375 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.345 -2.665 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.744 -0.381 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.203 -2.467 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.782 0.336 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.241 -1.765 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.528 -0.381 -0.085 1.00 0.00 H new ATOM 495 N THR A 34 -9.599 -2.157 3.866 1.00 0.00 N ATOM 496 CA THR A 34 -10.901 -2.792 3.816 1.00 0.00 C ATOM 497 C THR A 34 -12.021 -1.793 4.111 1.00 0.00 C ATOM 498 O THR A 34 -13.123 -1.897 3.573 1.00 0.00 O ATOM 499 CB THR A 34 -10.958 -3.952 4.833 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.614 -3.465 6.139 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.995 -5.071 4.452 1.00 0.00 C ATOM 0 H THR A 34 -9.024 -2.444 4.658 1.00 0.00 H new ATOM 0 HA THR A 34 -11.048 -3.179 2.808 1.00 0.00 H new ATOM 0 HB THR A 34 -11.973 -4.351 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.652 -4.202 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.059 -5.873 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.259 -5.459 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.977 -4.682 4.427 1.00 0.00 H new ATOM 509 N ASP A 35 -11.728 -0.823 4.971 1.00 0.00 N ATOM 510 CA ASP A 35 -12.729 0.150 5.412 1.00 0.00 C ATOM 511 C ASP A 35 -12.729 1.401 4.536 1.00 0.00 C ATOM 512 O ASP A 35 -13.670 1.656 3.784 1.00 0.00 O ATOM 513 CB ASP A 35 -12.468 0.542 6.873 1.00 0.00 C ATOM 514 CG ASP A 35 -13.556 1.421 7.462 1.00 0.00 C ATOM 515 OD1 ASP A 35 -13.603 2.623 7.134 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.357 0.916 8.278 1.00 0.00 O ATOM 0 H ASP A 35 -10.803 -0.687 5.379 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.708 -0.320 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.376 -0.363 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.514 1.065 6.937 1.00 0.00 H new ATOM 521 N ASP A 36 -11.644 2.159 4.638 1.00 0.00 N ATOM 522 CA ASP A 36 -11.534 3.483 4.028 1.00 0.00 C ATOM 523 C ASP A 36 -11.245 3.385 2.534 1.00 0.00 C ATOM 524 O ASP A 36 -11.941 3.988 1.714 1.00 0.00 O ATOM 525 CB ASP A 36 -10.402 4.264 4.706 1.00 0.00 C ATOM 526 CG ASP A 36 -10.398 5.734 4.349 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.334 6.056 3.154 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.386 6.574 5.270 1.00 0.00 O ATOM 0 H ASP A 36 -10.809 1.873 5.149 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.486 3.997 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.493 4.159 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.445 3.825 4.423 1.00 0.00 H new ATOM 533 N LEU A 37 -10.217 2.608 2.185 1.00 0.00 N ATOM 534 CA LEU A 37 -9.772 2.490 0.797 1.00 0.00 C ATOM 535 C LEU A 37 -10.847 1.844 -0.062 1.00 0.00 C ATOM 536 O LEU A 37 -10.758 1.874 -1.283 1.00 0.00 O ATOM 537 CB LEU A 37 -8.476 1.664 0.684 1.00 0.00 C ATOM 538 CG LEU A 37 -7.165 2.344 1.123 1.00 0.00 C ATOM 539 CD1 LEU A 37 -6.848 3.546 0.266 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.218 2.761 2.573 1.00 0.00 C ATOM 0 H LEU A 37 -9.677 2.051 2.847 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.576 3.501 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.601 0.758 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.364 1.353 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.374 1.605 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.917 3.999 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.742 3.234 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.656 4.273 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.277 3.237 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.038 3.464 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.378 1.883 3.199 1.00 0.00 H new ATOM 552 N ASP A 38 -11.853 1.256 0.592 1.00 0.00 N ATOM 553 CA ASP A 38 -12.956 0.586 -0.103 1.00 0.00 C ATOM 554 C ASP A 38 -12.400 -0.521 -0.995 1.00 0.00 C ATOM 555 O ASP A 38 -12.874 -0.755 -2.108 1.00 0.00 O ATOM 556 CB ASP A 38 -13.750 1.608 -0.931 1.00 0.00 C ATOM 557 CG ASP A 38 -15.104 1.092 -1.386 1.00 0.00 C ATOM 558 OD1 ASP A 38 -16.003 0.939 -0.534 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.287 0.868 -2.602 1.00 0.00 O ATOM 0 H ASP A 38 -11.926 1.231 1.609 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.631 0.139 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.894 2.512 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.164 1.890 -1.806 1.00 0.00 H new ATOM 564 N VAL A 39 -11.386 -1.214 -0.488 1.00 0.00 N ATOM 565 CA VAL A 39 -10.662 -2.187 -1.285 1.00 0.00 C ATOM 566 C VAL A 39 -11.059 -3.613 -0.899 1.00 0.00 C ATOM 567 O VAL A 39 -11.444 -3.877 0.241 1.00 0.00 O ATOM 568 CB VAL A 39 -9.124 -2.000 -1.133 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.542 -2.940 -0.090 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.433 -2.176 -2.474 1.00 0.00 C ATOM 0 H VAL A 39 -11.050 -1.117 0.470 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.929 -2.023 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.945 -0.983 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.467 -2.778 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.008 -2.745 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.734 -3.972 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.358 -2.042 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.632 -3.177 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.812 -1.436 -3.179 1.00 0.00 H new ATOM 580 N ASP A 40 -10.996 -4.517 -1.864 1.00 0.00 N ATOM 581 CA ASP A 40 -11.193 -5.933 -1.594 1.00 0.00 C ATOM 582 C ASP A 40 -9.839 -6.609 -1.432 1.00 0.00 C ATOM 583 O ASP A 40 -8.806 -6.024 -1.780 1.00 0.00 O ATOM 584 CB ASP A 40 -11.995 -6.611 -2.713 1.00 0.00 C ATOM 585 CG ASP A 40 -13.445 -6.165 -2.758 1.00 0.00 C ATOM 586 OD1 ASP A 40 -14.238 -6.612 -1.897 1.00 0.00 O ATOM 587 OD2 ASP A 40 -13.806 -5.383 -3.669 1.00 0.00 O ATOM 0 H ASP A 40 -10.810 -4.295 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.766 -6.033 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.524 -6.395 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.957 -7.692 -2.576 1.00 0.00 H new ATOM 592 N SER A 41 -9.840 -7.827 -0.910 1.00 0.00 N ATOM 593 CA SER A 41 -8.602 -8.552 -0.653 1.00 0.00 C ATOM 594 C SER A 41 -7.737 -8.657 -1.913 1.00 0.00 C ATOM 595 O SER A 41 -6.589 -8.215 -1.915 1.00 0.00 O ATOM 596 CB SER A 41 -8.908 -9.939 -0.084 1.00 0.00 C ATOM 597 OG SER A 41 -9.887 -10.609 -0.861 1.00 0.00 O ATOM 0 H SER A 41 -10.686 -8.336 -0.655 1.00 0.00 H new ATOM 0 HA SER A 41 -8.031 -7.989 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.994 -10.533 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.259 -9.844 0.944 1.00 0.00 H new ATOM 0 HG SER A 41 -10.062 -11.493 -0.476 1.00 0.00 H new ATOM 603 N LEU A 42 -8.289 -9.218 -2.985 1.00 0.00 N ATOM 604 CA LEU A 42 -7.553 -9.348 -4.238 1.00 0.00 C ATOM 605 C LEU A 42 -7.222 -7.984 -4.828 1.00 0.00 C ATOM 606 O LEU A 42 -6.134 -7.781 -5.356 1.00 0.00 O ATOM 607 CB LEU A 42 -8.348 -10.180 -5.248 1.00 0.00 C ATOM 608 CG LEU A 42 -7.762 -10.218 -6.659 1.00 0.00 C ATOM 609 CD1 LEU A 42 -6.308 -10.656 -6.622 1.00 0.00 C ATOM 610 CD2 LEU A 42 -8.580 -11.141 -7.546 1.00 0.00 C ATOM 0 H LEU A 42 -9.239 -9.588 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.616 -9.861 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.424 -11.201 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.362 -9.785 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.803 -9.213 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.908 -10.677 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.732 -9.954 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.239 -11.652 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.151 -11.158 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.570 -12.148 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.607 -10.780 -7.598 1.00 0.00 H new ATOM 622 N SER A 43 -8.156 -7.052 -4.722 1.00 0.00 N ATOM 623 CA SER A 43 -7.979 -5.727 -5.296 1.00 0.00 C ATOM 624 C SER A 43 -6.661 -5.099 -4.833 1.00 0.00 C ATOM 625 O SER A 43 -5.824 -4.710 -5.662 1.00 0.00 O ATOM 626 CB SER A 43 -9.160 -4.837 -4.917 1.00 0.00 C ATOM 627 OG SER A 43 -10.386 -5.432 -5.308 1.00 0.00 O ATOM 0 H SER A 43 -9.046 -7.189 -4.243 1.00 0.00 H new ATOM 0 HA SER A 43 -7.939 -5.821 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.161 -4.666 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.055 -3.863 -5.395 1.00 0.00 H new ATOM 0 HG SER A 43 -11.131 -4.861 -5.026 1.00 0.00 H new ATOM 633 N MET A 44 -6.458 -5.030 -3.513 1.00 0.00 N ATOM 634 CA MET A 44 -5.224 -4.466 -2.980 1.00 0.00 C ATOM 635 C MET A 44 -4.033 -5.313 -3.380 1.00 0.00 C ATOM 636 O MET A 44 -3.056 -4.791 -3.891 1.00 0.00 O ATOM 637 CB MET A 44 -5.262 -4.274 -1.455 1.00 0.00 C ATOM 638 CG MET A 44 -5.622 -5.502 -0.634 1.00 0.00 C ATOM 639 SD MET A 44 -5.793 -5.088 1.115 1.00 0.00 S ATOM 640 CE MET A 44 -6.606 -6.535 1.773 1.00 0.00 C ATOM 0 H MET A 44 -7.122 -5.353 -2.809 1.00 0.00 H new ATOM 0 HA MET A 44 -5.121 -3.473 -3.418 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.284 -3.919 -1.130 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.980 -3.486 -1.226 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.555 -5.929 -1.003 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.852 -6.264 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.258 -6.717 2.790 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.684 -6.374 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.373 -7.398 1.149 1.00 0.00 H new ATOM 650 N VAL A 45 -4.130 -6.617 -3.200 1.00 0.00 N ATOM 651 CA VAL A 45 -3.031 -7.502 -3.550 1.00 0.00 C ATOM 652 C VAL A 45 -2.618 -7.312 -5.012 1.00 0.00 C ATOM 653 O VAL A 45 -1.459 -7.469 -5.355 1.00 0.00 O ATOM 654 CB VAL A 45 -3.385 -8.982 -3.277 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.268 -9.913 -3.725 1.00 0.00 C ATOM 656 CG2 VAL A 45 -3.658 -9.181 -1.797 1.00 0.00 C ATOM 0 H VAL A 45 -4.951 -7.086 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.186 -7.237 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.278 -9.226 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.550 -10.945 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.099 -9.790 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.354 -9.671 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.907 -10.226 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.771 -8.911 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.492 -8.549 -1.493 1.00 0.00 H new ATOM 666 N GLU A 46 -3.545 -6.906 -5.864 1.00 0.00 N ATOM 667 CA GLU A 46 -3.225 -6.781 -7.273 1.00 0.00 C ATOM 668 C GLU A 46 -2.419 -5.514 -7.561 1.00 0.00 C ATOM 669 O GLU A 46 -1.230 -5.590 -7.898 1.00 0.00 O ATOM 670 CB GLU A 46 -4.502 -6.798 -8.115 1.00 0.00 C ATOM 671 CG GLU A 46 -4.244 -6.769 -9.611 1.00 0.00 C ATOM 672 CD GLU A 46 -3.311 -7.876 -10.059 1.00 0.00 C ATOM 673 OE1 GLU A 46 -3.748 -9.040 -10.119 1.00 0.00 O ATOM 674 OE2 GLU A 46 -2.133 -7.587 -10.338 1.00 0.00 O ATOM 0 H GLU A 46 -4.503 -6.663 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.607 -7.637 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.076 -7.692 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.117 -5.940 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.192 -6.859 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.816 -5.804 -9.884 1.00 0.00 H new ATOM 681 N VAL A 47 -3.015 -4.340 -7.376 1.00 0.00 N ATOM 682 CA VAL A 47 -2.321 -3.127 -7.762 1.00 0.00 C ATOM 683 C VAL A 47 -1.357 -2.670 -6.665 1.00 0.00 C ATOM 684 O VAL A 47 -0.376 -1.984 -6.937 1.00 0.00 O ATOM 685 CB VAL A 47 -3.310 -2.005 -8.134 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.584 -0.839 -8.783 1.00 0.00 C ATOM 687 CG2 VAL A 47 -4.392 -2.536 -9.065 1.00 0.00 C ATOM 0 H VAL A 47 -3.944 -4.208 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.733 -3.355 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.781 -1.650 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.302 -0.059 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.844 -0.439 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.084 -1.181 -9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.082 -1.731 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.932 -2.919 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.937 -3.339 -8.569 1.00 0.00 H new ATOM 697 N VAL A 48 -1.598 -3.091 -5.430 1.00 0.00 N ATOM 698 CA VAL A 48 -0.712 -2.715 -4.334 1.00 0.00 C ATOM 699 C VAL A 48 0.542 -3.601 -4.335 1.00 0.00 C ATOM 700 O VAL A 48 1.573 -3.226 -3.781 1.00 0.00 O ATOM 701 CB VAL A 48 -1.433 -2.744 -2.962 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.527 -2.262 -1.837 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.688 -1.887 -3.019 1.00 0.00 C ATOM 0 H VAL A 48 -2.385 -3.683 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.402 -1.682 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.703 -3.779 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.070 -2.298 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.351 -2.905 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.213 -1.238 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.190 -1.912 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.416 -0.859 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.359 -2.275 -3.786 1.00 0.00 H new ATOM 713 N VAL A 49 0.469 -4.766 -4.989 1.00 0.00 N ATOM 714 CA VAL A 49 1.682 -5.537 -5.275 1.00 0.00 C ATOM 715 C VAL A 49 2.443 -4.872 -6.420 1.00 0.00 C ATOM 716 O VAL A 49 3.672 -4.870 -6.466 1.00 0.00 O ATOM 717 CB VAL A 49 1.388 -7.022 -5.604 1.00 0.00 C ATOM 718 CG1 VAL A 49 2.508 -7.651 -6.421 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.201 -7.801 -4.317 1.00 0.00 C ATOM 0 H VAL A 49 -0.397 -5.188 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 49 2.293 -5.540 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 49 0.476 -7.058 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.264 -8.692 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.623 -7.109 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.440 -7.603 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.994 -8.845 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.109 -7.736 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.365 -7.382 -3.756 1.00 0.00 H new ATOM 729 N ALA A 50 1.713 -4.268 -7.338 1.00 0.00 N ATOM 730 CA ALA A 50 2.347 -3.425 -8.337 1.00 0.00 C ATOM 731 C ALA A 50 3.046 -2.248 -7.648 1.00 0.00 C ATOM 732 O ALA A 50 4.003 -1.676 -8.173 1.00 0.00 O ATOM 733 CB ALA A 50 1.322 -2.941 -9.350 1.00 0.00 C ATOM 0 H ALA A 50 0.699 -4.342 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 50 3.096 -4.004 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.813 -2.311 -10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.868 -3.799 -9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.549 -2.366 -8.840 1.00 0.00 H new ATOM 739 N ALA A 51 2.565 -1.911 -6.449 1.00 0.00 N ATOM 740 CA ALA A 51 3.138 -0.828 -5.657 1.00 0.00 C ATOM 741 C ALA A 51 4.363 -1.284 -4.873 1.00 0.00 C ATOM 742 O ALA A 51 5.282 -0.500 -4.657 1.00 0.00 O ATOM 743 CB ALA A 51 2.107 -0.250 -4.701 1.00 0.00 C ATOM 0 H ALA A 51 1.774 -2.378 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 51 3.450 -0.055 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.559 0.556 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.263 0.141 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.759 -1.031 -4.025 1.00 0.00 H new ATOM 749 N GLU A 52 4.389 -2.544 -4.444 1.00 0.00 N ATOM 750 CA GLU A 52 5.521 -3.035 -3.663 1.00 0.00 C ATOM 751 C GLU A 52 6.771 -3.045 -4.538 1.00 0.00 C ATOM 752 O GLU A 52 7.780 -2.414 -4.220 1.00 0.00 O ATOM 753 CB GLU A 52 5.264 -4.437 -3.068 1.00 0.00 C ATOM 754 CG GLU A 52 4.977 -5.508 -4.103 1.00 0.00 C ATOM 755 CD GLU A 52 5.229 -6.909 -3.610 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.402 -7.252 -3.373 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.263 -7.678 -3.474 1.00 0.00 O ATOM 0 H GLU A 52 3.656 -3.231 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 52 5.664 -2.360 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.134 -4.736 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.421 -4.378 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.937 -5.425 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.594 -5.325 -4.983 1.00 0.00 H new ATOM 764 N GLU A 53 6.673 -3.701 -5.679 1.00 0.00 N ATOM 765 CA GLU A 53 7.819 -3.894 -6.539 1.00 0.00 C ATOM 766 C GLU A 53 8.249 -2.599 -7.229 1.00 0.00 C ATOM 767 O GLU A 53 9.391 -2.485 -7.674 1.00 0.00 O ATOM 768 CB GLU A 53 7.536 -4.982 -7.561 1.00 0.00 C ATOM 769 CG GLU A 53 7.198 -6.327 -6.937 1.00 0.00 C ATOM 770 CD GLU A 53 7.537 -7.495 -7.840 1.00 0.00 C ATOM 771 OE1 GLU A 53 8.719 -7.903 -7.865 1.00 0.00 O ATOM 772 OE2 GLU A 53 6.632 -8.012 -8.528 1.00 0.00 O ATOM 0 H GLU A 53 5.807 -4.110 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 53 8.650 -4.209 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.708 -4.667 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.406 -5.098 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.739 -6.432 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.135 -6.355 -6.698 1.00 0.00 H new ATOM 779 N ARG A 54 7.349 -1.618 -7.314 1.00 0.00 N ATOM 780 CA ARG A 54 7.697 -0.333 -7.925 1.00 0.00 C ATOM 781 C ARG A 54 8.678 0.426 -7.028 1.00 0.00 C ATOM 782 O ARG A 54 9.316 1.389 -7.455 1.00 0.00 O ATOM 783 CB ARG A 54 6.450 0.523 -8.204 1.00 0.00 C ATOM 784 CG ARG A 54 5.880 1.223 -6.978 1.00 0.00 C ATOM 785 CD ARG A 54 4.708 2.130 -7.336 1.00 0.00 C ATOM 786 NE ARG A 54 5.104 3.210 -8.243 1.00 0.00 N ATOM 787 CZ ARG A 54 4.263 4.116 -8.751 1.00 0.00 C ATOM 788 NH1 ARG A 54 2.983 4.121 -8.400 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.697 5.029 -9.609 1.00 0.00 N ATOM 0 H ARG A 54 6.390 -1.685 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 54 8.173 -0.537 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.700 1.275 -8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.677 -0.113 -8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.554 0.477 -6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.662 1.812 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.920 1.537 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.289 2.558 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 54 6.088 3.275 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.633 3.429 -7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.349 4.817 -8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.679 5.043 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.049 5.717 -9.992 1.00 0.00 H new ATOM 803 N PHE A 55 8.788 -0.018 -5.779 1.00 0.00 N ATOM 804 CA PHE A 55 9.760 0.537 -4.845 1.00 0.00 C ATOM 805 C PHE A 55 10.894 -0.458 -4.619 1.00 0.00 C ATOM 806 O PHE A 55 11.668 -0.336 -3.668 1.00 0.00 O ATOM 807 CB PHE A 55 9.089 0.908 -3.520 1.00 0.00 C ATOM 808 CG PHE A 55 8.082 2.016 -3.654 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.483 3.296 -4.009 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.736 1.779 -3.426 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.556 4.315 -4.137 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.808 2.792 -3.552 1.00 0.00 C ATOM 813 CZ PHE A 55 6.218 4.063 -3.905 1.00 0.00 C ATOM 0 H PHE A 55 8.212 -0.765 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 55 10.177 1.448 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.596 0.026 -3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.855 1.207 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.529 3.499 -4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.409 0.788 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.878 5.307 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.762 2.591 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.493 4.858 -3.999 1.00 0.00 H new ATOM 823 N ASP A 56 10.959 -1.450 -5.508 1.00 0.00 N ATOM 824 CA ASP A 56 12.047 -2.431 -5.546 1.00 0.00 C ATOM 825 C ASP A 56 12.033 -3.341 -4.314 1.00 0.00 C ATOM 826 O ASP A 56 13.063 -3.890 -3.919 1.00 0.00 O ATOM 827 CB ASP A 56 13.407 -1.722 -5.680 1.00 0.00 C ATOM 828 CG ASP A 56 14.473 -2.611 -6.293 1.00 0.00 C ATOM 829 OD1 ASP A 56 14.477 -2.769 -7.535 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.327 -3.137 -5.553 1.00 0.00 O ATOM 0 H ASP A 56 10.252 -1.597 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 56 11.892 -3.062 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.288 -0.829 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.738 -1.391 -4.696 1.00 0.00 H new ATOM 835 N VAL A 57 10.861 -3.539 -3.727 1.00 0.00 N ATOM 836 CA VAL A 57 10.740 -4.416 -2.573 1.00 0.00 C ATOM 837 C VAL A 57 9.903 -5.637 -2.943 1.00 0.00 C ATOM 838 O VAL A 57 9.255 -5.652 -3.989 1.00 0.00 O ATOM 839 CB VAL A 57 10.098 -3.678 -1.374 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.628 -3.418 -1.632 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.289 -4.447 -0.077 1.00 0.00 C ATOM 0 H VAL A 57 9.987 -3.108 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 57 11.740 -4.734 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 57 10.606 -2.720 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.195 -2.898 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.519 -2.802 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.111 -4.366 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.825 -3.898 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.825 -5.429 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.354 -4.565 0.122 1.00 0.00 H new ATOM 851 N LYS A 58 9.948 -6.665 -2.108 1.00 0.00 N ATOM 852 CA LYS A 58 9.127 -7.845 -2.310 1.00 0.00 C ATOM 853 C LYS A 58 8.430 -8.235 -1.015 1.00 0.00 C ATOM 854 O LYS A 58 9.080 -8.508 -0.003 1.00 0.00 O ATOM 855 CB LYS A 58 9.965 -9.019 -2.831 1.00 0.00 C ATOM 856 CG LYS A 58 11.217 -9.289 -2.016 1.00 0.00 C ATOM 857 CD LYS A 58 11.794 -10.660 -2.321 1.00 0.00 C ATOM 858 CE LYS A 58 13.107 -10.872 -1.596 1.00 0.00 C ATOM 859 NZ LYS A 58 14.187 -10.024 -2.159 1.00 0.00 N ATOM 0 H LYS A 58 10.547 -6.704 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 58 8.373 -7.604 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.348 -9.918 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.251 -8.819 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.963 -8.523 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.983 -9.220 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.083 -11.431 -2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.947 -10.763 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.979 -10.644 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.395 -11.921 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.108 -10.358 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.168 -10.082 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.042 -9.037 -1.865 1.00 0.00 H new ATOM 873 N ILE A 59 7.113 -8.225 -1.045 1.00 0.00 N ATOM 874 CA ILE A 59 6.317 -8.688 0.075 1.00 0.00 C ATOM 875 C ILE A 59 5.463 -9.866 -0.380 1.00 0.00 C ATOM 876 O ILE A 59 5.190 -10.012 -1.572 1.00 0.00 O ATOM 877 CB ILE A 59 5.397 -7.580 0.658 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.323 -7.167 -0.347 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.206 -6.360 1.078 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.342 -6.152 0.197 1.00 0.00 C ATOM 0 H ILE A 59 6.566 -7.898 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 59 7.004 -8.984 0.868 1.00 0.00 H new ATOM 0 HB ILE A 59 4.908 -7.997 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.806 -6.754 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.776 -8.054 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.536 -5.601 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.930 -6.648 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.732 -5.956 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.609 -5.906 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.832 -6.569 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.878 -5.249 0.490 1.00 0.00 H new ATOM 892 N PRO A 60 5.065 -10.749 0.540 1.00 0.00 N ATOM 893 CA PRO A 60 4.158 -11.849 0.214 1.00 0.00 C ATOM 894 C PRO A 60 2.791 -11.335 -0.229 1.00 0.00 C ATOM 895 O PRO A 60 2.192 -10.497 0.447 1.00 0.00 O ATOM 896 CB PRO A 60 4.043 -12.631 1.533 1.00 0.00 C ATOM 897 CG PRO A 60 5.220 -12.198 2.343 1.00 0.00 C ATOM 898 CD PRO A 60 5.477 -10.773 1.950 1.00 0.00 C ATOM 0 HA PRO A 60 4.525 -12.457 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.107 -12.406 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.059 -13.707 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.013 -12.279 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.089 -12.824 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.897 -10.075 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.526 -10.502 2.070 1.00 0.00 H new ATOM 906 N ASP A 61 2.313 -11.820 -1.376 1.00 0.00 N ATOM 907 CA ASP A 61 0.966 -11.497 -1.853 1.00 0.00 C ATOM 908 C ASP A 61 -0.046 -11.769 -0.753 1.00 0.00 C ATOM 909 O ASP A 61 -0.988 -11.000 -0.539 1.00 0.00 O ATOM 910 CB ASP A 61 0.602 -12.337 -3.082 1.00 0.00 C ATOM 911 CG ASP A 61 1.487 -12.055 -4.278 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.690 -12.388 -4.222 1.00 0.00 O ATOM 913 OD2 ASP A 61 0.976 -11.534 -5.290 1.00 0.00 O ATOM 0 H ASP A 61 2.839 -12.439 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 61 0.948 -10.443 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.673 -13.394 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.436 -12.144 -3.352 1.00 0.00 H new ATOM 918 N ASP A 62 0.184 -12.873 -0.050 1.00 0.00 N ATOM 919 CA ASP A 62 -0.642 -13.275 1.080 1.00 0.00 C ATOM 920 C ASP A 62 -0.713 -12.167 2.132 1.00 0.00 C ATOM 921 O ASP A 62 -1.753 -11.944 2.738 1.00 0.00 O ATOM 922 CB ASP A 62 -0.077 -14.557 1.701 1.00 0.00 C ATOM 923 CG ASP A 62 -0.941 -15.118 2.820 1.00 0.00 C ATOM 924 OD1 ASP A 62 -1.920 -15.830 2.521 1.00 0.00 O ATOM 925 OD2 ASP A 62 -0.629 -14.881 4.006 1.00 0.00 O ATOM 0 H ASP A 62 0.951 -13.515 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.654 -13.461 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.031 -15.312 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.921 -14.354 2.089 1.00 0.00 H new ATOM 930 N ASP A 63 0.382 -11.440 2.310 1.00 0.00 N ATOM 931 CA ASP A 63 0.470 -10.454 3.381 1.00 0.00 C ATOM 932 C ASP A 63 -0.338 -9.202 3.087 1.00 0.00 C ATOM 933 O ASP A 63 -0.830 -8.569 4.016 1.00 0.00 O ATOM 934 CB ASP A 63 1.923 -10.079 3.682 1.00 0.00 C ATOM 935 CG ASP A 63 2.514 -10.913 4.798 1.00 0.00 C ATOM 936 OD1 ASP A 63 1.748 -11.604 5.506 1.00 0.00 O ATOM 937 OD2 ASP A 63 3.748 -10.878 4.979 1.00 0.00 O ATOM 0 H ASP A 63 1.218 -11.513 1.730 1.00 0.00 H new ATOM 0 HA ASP A 63 0.039 -10.928 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.522 -10.206 2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.975 -9.025 3.953 1.00 0.00 H new ATOM 942 N VAL A 64 -0.501 -8.844 1.813 1.00 0.00 N ATOM 943 CA VAL A 64 -1.236 -7.622 1.479 1.00 0.00 C ATOM 944 C VAL A 64 -2.678 -7.717 1.973 1.00 0.00 C ATOM 945 O VAL A 64 -3.220 -6.755 2.500 1.00 0.00 O ATOM 946 CB VAL A 64 -1.234 -7.303 -0.036 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.841 -5.931 -0.300 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.175 -7.374 -0.611 1.00 0.00 C ATOM 0 H VAL A 64 -0.145 -9.367 1.013 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.716 -6.807 1.983 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.845 -8.057 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.829 -5.728 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.869 -5.912 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.260 -5.170 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.145 -7.145 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.812 -6.651 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.577 -8.377 -0.466 1.00 0.00 H new ATOM 958 N LYS A 65 -3.292 -8.886 1.822 1.00 0.00 N ATOM 959 CA LYS A 65 -4.650 -9.091 2.314 1.00 0.00 C ATOM 960 C LYS A 65 -4.667 -9.467 3.800 1.00 0.00 C ATOM 961 O LYS A 65 -5.734 -9.575 4.406 1.00 0.00 O ATOM 962 CB LYS A 65 -5.402 -10.134 1.459 1.00 0.00 C ATOM 963 CG LYS A 65 -4.708 -11.484 1.316 1.00 0.00 C ATOM 964 CD LYS A 65 -4.815 -12.319 2.581 1.00 0.00 C ATOM 965 CE LYS A 65 -4.174 -13.685 2.401 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.166 -14.473 3.662 1.00 0.00 N ATOM 0 H LYS A 65 -2.876 -9.699 1.367 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.177 -8.141 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.387 -10.295 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.559 -9.718 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.149 -12.031 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.657 -11.327 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.333 -11.795 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.864 -12.441 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.713 -14.239 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.151 -13.560 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.413 -15.190 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.993 -13.838 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.085 -14.944 3.783 1.00 0.00 H new ATOM 980 N ASN A 66 -3.491 -9.666 4.389 1.00 0.00 N ATOM 981 CA ASN A 66 -3.408 -9.955 5.822 1.00 0.00 C ATOM 982 C ASN A 66 -3.508 -8.668 6.626 1.00 0.00 C ATOM 983 O ASN A 66 -3.891 -8.678 7.797 1.00 0.00 O ATOM 984 CB ASN A 66 -2.111 -10.689 6.191 1.00 0.00 C ATOM 985 CG ASN A 66 -2.100 -12.138 5.748 1.00 0.00 C ATOM 986 OD1 ASN A 66 -3.148 -12.767 5.596 1.00 0.00 O ATOM 987 ND2 ASN A 66 -0.909 -12.690 5.573 1.00 0.00 N ATOM 0 H ASN A 66 -2.593 -9.634 3.907 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.245 -10.610 6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.266 -10.171 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.970 -10.645 7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.836 -13.671 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.064 -12.134 5.709 1.00 0.00 H new ATOM 994 N LEU A 67 -3.163 -7.559 5.987 1.00 0.00 N ATOM 995 CA LEU A 67 -3.240 -6.256 6.625 1.00 0.00 C ATOM 996 C LEU A 67 -4.557 -5.576 6.285 1.00 0.00 C ATOM 997 O LEU A 67 -5.077 -5.724 5.183 1.00 0.00 O ATOM 998 CB LEU A 67 -2.033 -5.390 6.235 1.00 0.00 C ATOM 999 CG LEU A 67 -1.658 -5.368 4.747 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -2.035 -4.039 4.101 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.169 -5.630 4.577 1.00 0.00 C ATOM 0 H LEU A 67 -2.826 -7.538 5.024 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.208 -6.391 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.231 -4.366 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.168 -5.737 6.800 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.219 -6.157 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.757 -4.055 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.110 -3.883 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.508 -3.228 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.085 -5.612 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.398 -4.859 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.078 -6.607 4.993 1.00 0.00 H new ATOM 1013 N LYS A 68 -5.106 -4.851 7.250 1.00 0.00 N ATOM 1014 CA LYS A 68 -6.438 -4.284 7.103 1.00 0.00 C ATOM 1015 C LYS A 68 -6.375 -2.804 6.755 1.00 0.00 C ATOM 1016 O LYS A 68 -7.360 -2.231 6.292 1.00 0.00 O ATOM 1017 CB LYS A 68 -7.266 -4.470 8.384 1.00 0.00 C ATOM 1018 CG LYS A 68 -7.633 -5.915 8.698 1.00 0.00 C ATOM 1019 CD LYS A 68 -6.427 -6.717 9.160 1.00 0.00 C ATOM 1020 CE LYS A 68 -6.790 -8.155 9.477 1.00 0.00 C ATOM 1021 NZ LYS A 68 -5.608 -8.929 9.945 1.00 0.00 N ATOM 0 H LYS A 68 -4.651 -4.643 8.139 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.922 -4.819 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.707 -4.060 9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.183 -3.887 8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.401 -5.935 9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.062 -6.382 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.661 -6.699 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.997 -6.248 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.565 -8.175 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.208 -8.629 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.860 -9.935 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.829 -8.819 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.307 -8.575 10.875 1.00 0.00 H new ATOM 1035 N THR A 69 -5.228 -2.180 6.988 1.00 0.00 N ATOM 1036 CA THR A 69 -5.068 -0.763 6.705 1.00 0.00 C ATOM 1037 C THR A 69 -3.977 -0.556 5.668 1.00 0.00 C ATOM 1038 O THR A 69 -3.089 -1.394 5.523 1.00 0.00 O ATOM 1039 CB THR A 69 -4.699 0.039 7.971 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.337 -0.214 8.331 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.606 -0.331 9.135 1.00 0.00 C ATOM 0 H THR A 69 -4.398 -2.632 7.371 1.00 0.00 H new ATOM 0 HA THR A 69 -6.026 -0.403 6.329 1.00 0.00 H new ATOM 0 HB THR A 69 -4.830 1.098 7.750 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.289 -1.023 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.324 0.248 10.014 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.641 -0.113 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.503 -1.394 9.353 1.00 0.00 H new ATOM 1049 N VAL A 70 -4.033 0.562 4.956 1.00 0.00 N ATOM 1050 CA VAL A 70 -2.980 0.900 4.007 1.00 0.00 C ATOM 1051 C VAL A 70 -1.671 1.148 4.749 1.00 0.00 C ATOM 1052 O VAL A 70 -0.592 0.798 4.268 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.356 2.130 3.140 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.052 3.184 3.968 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.131 2.721 2.457 1.00 0.00 C ATOM 0 H VAL A 70 -4.789 1.245 5.016 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.855 0.054 3.331 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.044 1.786 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.305 4.035 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.963 2.767 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.391 3.512 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.428 3.581 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.410 3.036 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.676 1.969 1.812 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.786 1.703 5.949 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.619 2.012 6.742 1.00 0.00 C ATOM 1067 C GLY A 71 0.216 0.786 7.056 1.00 0.00 C ATOM 1068 O GLY A 71 1.447 0.866 7.102 1.00 0.00 O ATOM 0 H GLY A 71 -2.675 1.945 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.005 2.738 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.932 2.482 7.674 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.457 -0.347 7.265 1.00 0.00 N ATOM 1073 CA ASP A 72 0.224 -1.606 7.552 1.00 0.00 C ATOM 1074 C ASP A 72 1.168 -1.972 6.424 1.00 0.00 C ATOM 1075 O ASP A 72 2.369 -2.123 6.640 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.771 -2.748 7.754 1.00 0.00 C ATOM 1077 CG ASP A 72 -1.614 -2.591 8.993 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -1.045 -2.346 10.075 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -2.853 -2.728 8.898 1.00 0.00 O ATOM 0 H ASP A 72 -1.474 -0.416 7.240 1.00 0.00 H new ATOM 0 HA ASP A 72 0.788 -1.462 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.424 -2.810 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.226 -3.690 7.811 1.00 0.00 H new ATOM 1084 N ALA A 73 0.616 -2.107 5.218 1.00 0.00 N ATOM 1085 CA ALA A 73 1.410 -2.436 4.039 1.00 0.00 C ATOM 1086 C ALA A 73 2.529 -1.449 3.855 1.00 0.00 C ATOM 1087 O ALA A 73 3.674 -1.825 3.631 1.00 0.00 O ATOM 1088 CB ALA A 73 0.564 -2.419 2.783 1.00 0.00 C ATOM 0 H ALA A 73 -0.381 -1.993 5.034 1.00 0.00 H new ATOM 0 HA ALA A 73 1.812 -3.436 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.185 -2.668 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.239 -3.151 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.136 -1.426 2.646 1.00 0.00 H new ATOM 1094 N THR A 74 2.176 -0.182 3.949 1.00 0.00 N ATOM 1095 CA THR A 74 3.108 0.886 3.699 1.00 0.00 C ATOM 1096 C THR A 74 4.331 0.774 4.611 1.00 0.00 C ATOM 1097 O THR A 74 5.461 0.719 4.131 1.00 0.00 O ATOM 1098 CB THR A 74 2.444 2.255 3.891 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.205 2.311 3.170 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.353 3.337 3.380 1.00 0.00 C ATOM 0 H THR A 74 1.238 0.129 4.200 1.00 0.00 H new ATOM 0 HA THR A 74 3.433 0.796 2.663 1.00 0.00 H new ATOM 0 HB THR A 74 2.253 2.402 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.475 2.007 3.749 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.877 4.308 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.293 3.312 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.549 3.177 2.320 1.00 0.00 H new ATOM 1108 N LYS A 75 4.105 0.697 5.920 1.00 0.00 N ATOM 1109 CA LYS A 75 5.210 0.625 6.868 1.00 0.00 C ATOM 1110 C LYS A 75 5.917 -0.727 6.754 1.00 0.00 C ATOM 1111 O LYS A 75 7.121 -0.825 6.964 1.00 0.00 O ATOM 1112 CB LYS A 75 4.726 0.861 8.307 1.00 0.00 C ATOM 1113 CG LYS A 75 5.865 1.121 9.284 1.00 0.00 C ATOM 1114 CD LYS A 75 6.559 2.446 8.987 1.00 0.00 C ATOM 1115 CE LYS A 75 5.932 3.601 9.754 1.00 0.00 C ATOM 1116 NZ LYS A 75 6.154 3.492 11.221 1.00 0.00 N ATOM 0 H LYS A 75 3.177 0.683 6.344 1.00 0.00 H new ATOM 0 HA LYS A 75 5.919 1.415 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.043 1.710 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.160 -0.008 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.478 1.131 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.589 0.308 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.615 2.369 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.508 2.651 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.349 4.542 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.861 3.629 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.057 4.431 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.451 2.845 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.110 3.124 11.401 1.00 0.00 H new ATOM 1130 N TYR A 76 5.156 -1.759 6.406 1.00 0.00 N ATOM 1131 CA TYR A 76 5.709 -3.090 6.152 1.00 0.00 C ATOM 1132 C TYR A 76 6.699 -3.030 4.986 1.00 0.00 C ATOM 1133 O TYR A 76 7.793 -3.591 5.055 1.00 0.00 O ATOM 1134 CB TYR A 76 4.564 -4.067 5.848 1.00 0.00 C ATOM 1135 CG TYR A 76 4.971 -5.517 5.682 1.00 0.00 C ATOM 1136 CD1 TYR A 76 5.308 -6.028 4.434 1.00 0.00 C ATOM 1137 CD2 TYR A 76 4.980 -6.387 6.767 1.00 0.00 C ATOM 1138 CE1 TYR A 76 5.653 -7.356 4.275 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.320 -7.719 6.612 1.00 0.00 C ATOM 1140 CZ TYR A 76 5.651 -8.197 5.363 1.00 0.00 C ATOM 1141 OH TYR A 76 5.987 -9.521 5.199 1.00 0.00 O ATOM 0 H TYR A 76 4.144 -1.700 6.292 1.00 0.00 H new ATOM 0 HA TYR A 76 6.244 -3.441 7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.832 -4.003 6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.064 -3.741 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.300 -5.375 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.717 -6.017 7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.923 -7.733 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.326 -8.381 7.466 1.00 0.00 H new ATOM 0 HH TYR A 76 5.178 -10.044 5.018 1.00 0.00 H new ATOM 1151 N ILE A 77 6.294 -2.338 3.925 1.00 0.00 N ATOM 1152 CA ILE A 77 7.152 -2.084 2.772 1.00 0.00 C ATOM 1153 C ILE A 77 8.399 -1.322 3.192 1.00 0.00 C ATOM 1154 O ILE A 77 9.515 -1.658 2.803 1.00 0.00 O ATOM 1155 CB ILE A 77 6.399 -1.275 1.681 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.377 -2.166 0.974 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.366 -0.665 0.671 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.468 -1.419 0.017 1.00 0.00 C ATOM 0 H ILE A 77 5.360 -1.937 3.840 1.00 0.00 H new ATOM 0 HA ILE A 77 7.440 -3.050 2.358 1.00 0.00 H new ATOM 0 HB ILE A 77 5.875 -0.455 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.907 -2.944 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.765 -2.667 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.805 -0.106 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.054 0.006 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.931 -1.459 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.772 -2.119 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.909 -0.659 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.069 -0.941 -0.757 1.00 0.00 H new ATOM 1170 N LEU A 78 8.191 -0.317 4.016 1.00 0.00 N ATOM 1171 CA LEU A 78 9.253 0.581 4.429 1.00 0.00 C ATOM 1172 C LEU A 78 10.226 -0.091 5.391 1.00 0.00 C ATOM 1173 O LEU A 78 11.405 0.258 5.438 1.00 0.00 O ATOM 1174 CB LEU A 78 8.634 1.811 5.075 1.00 0.00 C ATOM 1175 CG LEU A 78 7.661 2.569 4.174 1.00 0.00 C ATOM 1176 CD1 LEU A 78 7.109 3.778 4.906 1.00 0.00 C ATOM 1177 CD2 LEU A 78 8.366 2.988 2.894 1.00 0.00 C ATOM 0 H LEU A 78 7.280 -0.098 4.420 1.00 0.00 H new ATOM 0 HA LEU A 78 9.826 0.868 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.111 1.507 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.432 2.488 5.380 1.00 0.00 H new ATOM 0 HG LEU A 78 6.827 1.917 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.416 4.312 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.585 3.451 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.929 4.440 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.668 3.528 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.209 3.634 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.727 2.102 2.371 1.00 0.00 H new ATOM 1189 N ASP A 79 9.730 -1.051 6.154 1.00 0.00 N ATOM 1190 CA ASP A 79 10.554 -1.755 7.130 1.00 0.00 C ATOM 1191 C ASP A 79 11.524 -2.704 6.431 1.00 0.00 C ATOM 1192 O ASP A 79 12.587 -3.023 6.963 1.00 0.00 O ATOM 1193 CB ASP A 79 9.669 -2.532 8.110 1.00 0.00 C ATOM 1194 CG ASP A 79 10.433 -3.037 9.317 1.00 0.00 C ATOM 1195 OD1 ASP A 79 10.738 -2.222 10.215 1.00 0.00 O ATOM 1196 OD2 ASP A 79 10.714 -4.250 9.384 1.00 0.00 O ATOM 0 H ASP A 79 8.760 -1.363 6.118 1.00 0.00 H new ATOM 0 HA ASP A 79 11.133 -1.018 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.854 -1.890 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.217 -3.378 7.592 1.00 0.00 H new ATOM 1201 N HIS A 80 11.157 -3.129 5.225 1.00 0.00 N ATOM 1202 CA HIS A 80 11.966 -4.073 4.458 1.00 0.00 C ATOM 1203 C HIS A 80 12.311 -3.500 3.087 1.00 0.00 C ATOM 1204 O HIS A 80 12.514 -4.247 2.131 1.00 0.00 O ATOM 1205 CB HIS A 80 11.219 -5.398 4.276 1.00 0.00 C ATOM 1206 CG HIS A 80 10.983 -6.149 5.550 1.00 0.00 C ATOM 1207 ND1 HIS A 80 11.838 -7.120 6.023 1.00 0.00 N ATOM 1208 CD2 HIS A 80 9.977 -6.070 6.451 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.364 -7.609 7.153 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.239 -6.986 7.441 1.00 0.00 N ATOM 0 H HIS A 80 10.301 -2.833 4.756 1.00 0.00 H new ATOM 0 HA HIS A 80 12.887 -4.250 5.014 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.258 -5.198 3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.786 -6.031 3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.125 -5.409 6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.821 -8.389 7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.659 -7.156 8.263 1.00 0.00 H new ATOM 1219 N GLN A 81 12.396 -2.178 3.003 1.00 0.00 N ATOM 1220 CA GLN A 81 12.586 -1.496 1.721 1.00 0.00 C ATOM 1221 C GLN A 81 13.971 -1.764 1.126 1.00 0.00 C ATOM 1222 O GLN A 81 14.847 -2.329 1.781 1.00 0.00 O ATOM 1223 CB GLN A 81 12.379 0.013 1.879 1.00 0.00 C ATOM 1224 CG GLN A 81 13.327 0.662 2.876 1.00 0.00 C ATOM 1225 CD GLN A 81 13.111 2.157 2.997 1.00 0.00 C ATOM 1226 OE1 GLN A 81 11.887 2.595 2.756 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 14.036 2.911 3.296 1.00 0.00 N flip ATOM 0 H GLN A 81 12.337 -1.553 3.807 1.00 0.00 H new ATOM 0 HA GLN A 81 11.841 -1.897 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.505 0.491 0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.352 0.198 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.193 0.199 3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.356 0.471 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.966 2.532 3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.873 3.915 3.366 1.00 0.00 H new ATOM 1236 N ALA A 82 14.157 -1.343 -0.118 1.00 0.00 N ATOM 1237 CA ALA A 82 15.428 -1.517 -0.805 1.00 0.00 C ATOM 1238 C ALA A 82 16.231 -0.220 -0.793 1.00 0.00 C ATOM 1239 O ALA A 82 17.095 -0.065 0.095 1.00 0.00 O ATOM 1240 CB ALA A 82 15.205 -1.988 -2.234 1.00 0.00 C ATOM 1241 OXT ALA A 82 15.997 0.634 -1.670 1.00 0.00 O ATOM 0 H ALA A 82 13.440 -0.877 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 82 15.998 -2.279 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.167 -2.112 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.676 -2.941 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.612 -1.249 -2.772 1.00 0.00 H new TER 1247 ALA A 82