USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 817 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 64 CYS SG : rot 115:sc= -3.18! USER MOD Set 1.2: A 68 LYS NZ :NH3+ 173:sc= 0.494 (180deg=-0.0813) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.0249 (180deg=-0.565) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.944 USER MOD Single : A 34 HIS : no HD1:sc= -6.26! C(o=-6.3!,f=-8.7!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 48 GLN : amide:sc= -0.444 K(o=-0.44,f=-4.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.225! C(o=-0.23!,f=-6.4!) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 63 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.9!) USER MOD Single : A 65 GLN : amide:sc= -5.67! C(o=-5.7!,f=-7.1!) USER MOD Single : A 70 THR OG1 : rot -50:sc= -4.57! USER MOD Single : A 71 SER OG : rot 47:sc= 1.32 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -2.77! C(o=-2.8!,f=-2.5!) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= -0.751 (180deg=-1.04) USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= -0.172 (180deg=-2!) USER MOD Single : A 106 ASN : amide:sc= -0.821 K(o=-0.82,f=-6.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 7.707 -1.362 11.340 1.00 0.00 N ATOM 29 CA LEU A 3 7.477 -0.787 10.019 1.00 0.00 C ATOM 30 C LEU A 3 8.151 0.577 9.903 1.00 0.00 C ATOM 31 O LEU A 3 8.184 1.347 10.863 1.00 0.00 O ATOM 32 CB LEU A 3 5.974 -0.643 9.770 1.00 0.00 C ATOM 33 CG LEU A 3 5.306 -0.045 11.010 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.251 0.975 10.581 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.635 -1.160 11.817 1.00 0.00 C ATOM 0 HA LEU A 3 7.907 -1.453 9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.798 -0.004 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.538 -1.615 9.542 1.00 0.00 H new ATOM 0 HG LEU A 3 6.060 0.447 11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.776 1.400 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.726 1.770 10.006 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.498 0.483 9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.159 -0.734 12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.882 -1.652 11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.385 -1.888 12.125 1.00 0.00 H new ATOM 47 N THR A 4 8.688 0.869 8.722 1.00 0.00 N ATOM 48 CA THR A 4 9.360 2.143 8.493 1.00 0.00 C ATOM 49 C THR A 4 8.710 2.892 7.334 1.00 0.00 C ATOM 50 O THR A 4 8.214 2.280 6.388 1.00 0.00 O ATOM 51 CB THR A 4 10.840 1.905 8.185 1.00 0.00 C ATOM 52 OG1 THR A 4 11.529 1.592 9.388 1.00 0.00 O ATOM 53 CG2 THR A 4 11.444 3.165 7.563 1.00 0.00 C ATOM 0 H THR A 4 8.671 0.246 7.915 1.00 0.00 H new ATOM 0 HA THR A 4 9.270 2.747 9.396 1.00 0.00 H new ATOM 0 HB THR A 4 10.936 1.075 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.477 1.438 9.192 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.498 2.994 7.344 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.916 3.404 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.349 3.997 8.261 1.00 0.00 H new ATOM 61 N THR A 5 8.721 4.219 7.412 1.00 0.00 N ATOM 62 CA THR A 5 8.131 5.040 6.361 1.00 0.00 C ATOM 63 C THR A 5 9.077 5.138 5.169 1.00 0.00 C ATOM 64 O THR A 5 10.295 5.059 5.322 1.00 0.00 O ATOM 65 CB THR A 5 7.834 6.444 6.896 1.00 0.00 C ATOM 66 OG1 THR A 5 8.920 6.881 7.700 1.00 0.00 O ATOM 67 CG2 THR A 5 6.555 6.417 7.736 1.00 0.00 C ATOM 0 H THR A 5 9.128 4.745 8.185 1.00 0.00 H new ATOM 0 HA THR A 5 7.201 4.572 6.038 1.00 0.00 H new ATOM 0 HB THR A 5 7.700 7.129 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.733 7.780 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.347 7.418 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.721 6.082 7.119 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.684 5.732 8.574 1.00 0.00 H new ATOM 75 N ILE A 6 8.506 5.313 3.982 1.00 0.00 N ATOM 76 CA ILE A 6 9.307 5.422 2.770 1.00 0.00 C ATOM 77 C ILE A 6 8.771 6.530 1.877 1.00 0.00 C ATOM 78 O ILE A 6 7.655 7.014 2.065 1.00 0.00 O ATOM 79 CB ILE A 6 9.306 4.081 2.010 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.749 3.629 1.785 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.607 4.226 0.651 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.762 2.212 1.208 1.00 0.00 C ATOM 0 H ILE A 6 7.499 5.382 3.834 1.00 0.00 H new ATOM 0 HA ILE A 6 10.331 5.667 3.052 1.00 0.00 H new ATOM 0 HB ILE A 6 8.767 3.344 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.253 4.314 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.299 3.654 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.618 3.268 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.576 4.544 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.130 4.970 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.792 1.893 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.275 1.531 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.228 2.201 0.258 1.00 0.00 H new ATOM 94 N SER A 7 9.569 6.911 0.892 1.00 0.00 N ATOM 95 CA SER A 7 9.165 7.946 -0.045 1.00 0.00 C ATOM 96 C SER A 7 8.890 7.320 -1.408 1.00 0.00 C ATOM 97 O SER A 7 9.609 6.420 -1.837 1.00 0.00 O ATOM 98 CB SER A 7 10.265 9.000 -0.170 1.00 0.00 C ATOM 99 OG SER A 7 11.210 8.822 0.877 1.00 0.00 O ATOM 0 H SER A 7 10.496 6.521 0.721 1.00 0.00 H new ATOM 0 HA SER A 7 8.258 8.427 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.758 8.914 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.834 10.000 -0.119 1.00 0.00 H new ATOM 0 HG SER A 7 11.917 9.496 0.798 1.00 0.00 H new ATOM 105 N PRO A 8 7.872 7.766 -2.088 1.00 0.00 N ATOM 106 CA PRO A 8 7.512 7.225 -3.425 1.00 0.00 C ATOM 107 C PRO A 8 8.751 6.954 -4.273 1.00 0.00 C ATOM 108 O PRO A 8 8.699 6.214 -5.255 1.00 0.00 O ATOM 109 CB PRO A 8 6.653 8.329 -4.033 1.00 0.00 C ATOM 110 CG PRO A 8 6.034 9.042 -2.874 1.00 0.00 C ATOM 111 CD PRO A 8 6.954 8.834 -1.666 1.00 0.00 C ATOM 0 HA PRO A 8 6.995 6.267 -3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.257 9.009 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.889 7.914 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.921 10.104 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.037 8.650 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.494 9.747 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.388 8.545 -0.780 1.00 0.00 H new ATOM 119 N HIS A 9 9.863 7.563 -3.878 1.00 0.00 N ATOM 120 CA HIS A 9 11.123 7.394 -4.594 1.00 0.00 C ATOM 121 C HIS A 9 11.724 6.015 -4.328 1.00 0.00 C ATOM 122 O HIS A 9 12.413 5.458 -5.183 1.00 0.00 O ATOM 123 CB HIS A 9 12.118 8.472 -4.157 1.00 0.00 C ATOM 124 CG HIS A 9 11.750 9.783 -4.794 1.00 0.00 C ATOM 125 ND1 HIS A 9 11.648 10.958 -4.063 1.00 0.00 N ATOM 126 CD2 HIS A 9 11.456 10.123 -6.092 1.00 0.00 C ATOM 127 CE1 HIS A 9 11.307 11.938 -4.918 1.00 0.00 C ATOM 128 NE2 HIS A 9 11.178 11.485 -6.167 1.00 0.00 N ATOM 0 H HIS A 9 9.918 8.178 -3.066 1.00 0.00 H new ATOM 0 HA HIS A 9 10.921 7.487 -5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.112 8.569 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.130 8.187 -4.446 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.443 9.438 -6.927 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.156 12.968 -4.629 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.929 12.022 -6.998 1.00 0.00 H new ATOM 136 N ASP A 10 11.469 5.468 -3.141 1.00 0.00 N ATOM 137 CA ASP A 10 12.005 4.159 -2.791 1.00 0.00 C ATOM 138 C ASP A 10 11.161 3.048 -3.403 1.00 0.00 C ATOM 139 O ASP A 10 11.682 2.163 -4.082 1.00 0.00 O ATOM 140 CB ASP A 10 12.035 4.000 -1.270 1.00 0.00 C ATOM 141 CG ASP A 10 13.238 3.160 -0.856 1.00 0.00 C ATOM 142 OD1 ASP A 10 13.147 1.946 -0.940 1.00 0.00 O ATOM 143 OD2 ASP A 10 14.235 3.743 -0.461 1.00 0.00 O ATOM 0 H ASP A 10 10.902 5.906 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 10 13.018 4.086 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.085 4.980 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.115 3.526 -0.928 1.00 0.00 H new ATOM 148 N ALA A 11 9.856 3.096 -3.159 1.00 0.00 N ATOM 149 CA ALA A 11 8.954 2.080 -3.691 1.00 0.00 C ATOM 150 C ALA A 11 9.283 1.777 -5.151 1.00 0.00 C ATOM 151 O ALA A 11 9.112 0.649 -5.611 1.00 0.00 O ATOM 152 CB ALA A 11 7.505 2.558 -3.582 1.00 0.00 C ATOM 0 H ALA A 11 9.402 3.820 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 11 9.082 1.169 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.839 1.793 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.260 2.742 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.382 3.480 -4.151 1.00 0.00 H new ATOM 158 N GLN A 12 9.758 2.788 -5.871 1.00 0.00 N ATOM 159 CA GLN A 12 10.108 2.610 -7.277 1.00 0.00 C ATOM 160 C GLN A 12 11.337 1.718 -7.416 1.00 0.00 C ATOM 161 O GLN A 12 11.374 0.825 -8.264 1.00 0.00 O ATOM 162 CB GLN A 12 10.385 3.967 -7.926 1.00 0.00 C ATOM 163 CG GLN A 12 10.260 3.842 -9.446 1.00 0.00 C ATOM 164 CD GLN A 12 11.370 4.635 -10.129 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.437 4.835 -9.549 1.00 0.00 O ATOM 166 NE2 GLN A 12 11.182 5.099 -11.335 1.00 0.00 N ATOM 0 H GLN A 12 9.909 3.730 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 12 9.267 2.133 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.681 4.711 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.384 4.312 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.318 2.794 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.287 4.210 -9.770 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.297 4.932 -11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.920 5.629 -11.799 1.00 0.00 H new ATOM 175 N GLU A 13 12.342 1.964 -6.582 1.00 0.00 N ATOM 176 CA GLU A 13 13.566 1.175 -6.627 1.00 0.00 C ATOM 177 C GLU A 13 13.291 -0.266 -6.211 1.00 0.00 C ATOM 178 O GLU A 13 13.799 -1.205 -6.823 1.00 0.00 O ATOM 179 CB GLU A 13 14.619 1.785 -5.700 1.00 0.00 C ATOM 180 CG GLU A 13 15.007 3.171 -6.216 1.00 0.00 C ATOM 181 CD GLU A 13 16.519 3.353 -6.134 1.00 0.00 C ATOM 182 OE1 GLU A 13 17.118 2.779 -5.240 1.00 0.00 O ATOM 183 OE2 GLU A 13 17.057 4.065 -6.967 1.00 0.00 O ATOM 0 H GLU A 13 12.333 2.697 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 13 13.940 1.180 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.227 1.859 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.498 1.142 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.673 3.291 -7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.507 3.940 -5.627 1.00 0.00 H new ATOM 190 N LEU A 14 12.484 -0.434 -5.169 1.00 0.00 N ATOM 191 CA LEU A 14 12.150 -1.769 -4.688 1.00 0.00 C ATOM 192 C LEU A 14 11.380 -2.540 -5.751 1.00 0.00 C ATOM 193 O LEU A 14 11.643 -3.720 -5.987 1.00 0.00 O ATOM 194 CB LEU A 14 11.305 -1.679 -3.418 1.00 0.00 C ATOM 195 CG LEU A 14 11.919 -0.661 -2.460 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.068 -0.588 -1.195 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.341 -1.094 -2.096 1.00 0.00 C ATOM 0 H LEU A 14 12.053 0.329 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 14 13.080 -2.294 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.285 -1.387 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.248 -2.656 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 14 11.952 0.319 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.501 0.137 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.055 -0.281 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.039 -1.568 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.779 -0.367 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.312 -2.072 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.947 -1.152 -3.000 1.00 0.00 H new ATOM 209 N ILE A 15 10.434 -1.866 -6.399 1.00 0.00 N ATOM 210 CA ILE A 15 9.645 -2.508 -7.442 1.00 0.00 C ATOM 211 C ILE A 15 10.575 -3.239 -8.400 1.00 0.00 C ATOM 212 O ILE A 15 10.180 -4.200 -9.061 1.00 0.00 O ATOM 213 CB ILE A 15 8.835 -1.463 -8.209 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.603 -1.071 -7.390 1.00 0.00 C ATOM 215 CG2 ILE A 15 8.387 -2.046 -9.552 1.00 0.00 C ATOM 216 CD1 ILE A 15 7.094 0.296 -7.851 1.00 0.00 C ATOM 0 H ILE A 15 10.198 -0.889 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 15 8.958 -3.219 -6.984 1.00 0.00 H new ATOM 0 HB ILE A 15 9.453 -0.582 -8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.821 -1.821 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.854 -1.038 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.810 -1.300 -10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.263 -2.327 -10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.769 -2.927 -9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.217 0.574 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.876 1.042 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.826 0.248 -8.907 1.00 0.00 H new ATOM 228 N ALA A 16 11.820 -2.781 -8.451 1.00 0.00 N ATOM 229 CA ALA A 16 12.818 -3.399 -9.315 1.00 0.00 C ATOM 230 C ALA A 16 13.343 -4.675 -8.669 1.00 0.00 C ATOM 231 O ALA A 16 13.757 -5.609 -9.355 1.00 0.00 O ATOM 232 CB ALA A 16 13.977 -2.429 -9.557 1.00 0.00 C ATOM 0 H ALA A 16 12.161 -1.988 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 16 12.354 -3.644 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.717 -2.900 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.601 -1.525 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.440 -2.170 -8.605 1.00 0.00 H new ATOM 238 N ARG A 17 13.313 -4.707 -7.339 1.00 0.00 N ATOM 239 CA ARG A 17 13.777 -5.872 -6.598 1.00 0.00 C ATOM 240 C ARG A 17 12.661 -6.907 -6.496 1.00 0.00 C ATOM 241 O ARG A 17 12.919 -8.110 -6.446 1.00 0.00 O ATOM 242 CB ARG A 17 14.224 -5.455 -5.194 1.00 0.00 C ATOM 243 CG ARG A 17 15.738 -5.635 -5.061 1.00 0.00 C ATOM 244 CD ARG A 17 16.147 -5.469 -3.595 1.00 0.00 C ATOM 245 NE ARG A 17 15.549 -6.521 -2.782 1.00 0.00 N ATOM 246 CZ ARG A 17 16.031 -6.817 -1.579 1.00 0.00 C ATOM 247 NH1 ARG A 17 17.057 -6.162 -1.108 1.00 0.00 N ATOM 248 NH2 ARG A 17 15.478 -7.761 -0.867 1.00 0.00 N ATOM 0 H ARG A 17 12.973 -3.942 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 17 14.622 -6.311 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.954 -4.415 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.709 -6.056 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.030 -6.621 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.257 -4.903 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.233 -5.504 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.829 -4.492 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 17 14.747 -7.039 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.489 -5.423 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.427 -6.389 -0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.675 -8.272 -1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.849 -7.987 0.056 1.00 0.00 H new ATOM 262 N GLY A 18 11.420 -6.429 -6.472 1.00 0.00 N ATOM 263 CA GLY A 18 10.270 -7.321 -6.383 1.00 0.00 C ATOM 264 C GLY A 18 9.445 -7.042 -5.129 1.00 0.00 C ATOM 265 O GLY A 18 8.725 -7.916 -4.646 1.00 0.00 O ATOM 0 H GLY A 18 11.187 -5.437 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.644 -7.199 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.610 -8.356 -6.374 1.00 0.00 H new ATOM 269 N ALA A 19 9.549 -5.823 -4.608 1.00 0.00 N ATOM 270 CA ALA A 19 8.801 -5.452 -3.411 1.00 0.00 C ATOM 271 C ALA A 19 7.313 -5.722 -3.610 1.00 0.00 C ATOM 272 O ALA A 19 6.820 -5.723 -4.738 1.00 0.00 O ATOM 273 CB ALA A 19 9.013 -3.970 -3.099 1.00 0.00 C ATOM 0 H ALA A 19 10.137 -5.083 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 19 9.163 -6.053 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.451 -3.703 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.073 -3.782 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.666 -3.368 -3.939 1.00 0.00 H new ATOM 279 N LYS A 20 6.602 -5.950 -2.511 1.00 0.00 N ATOM 280 CA LYS A 20 5.173 -6.217 -2.586 1.00 0.00 C ATOM 281 C LYS A 20 4.375 -4.995 -2.136 1.00 0.00 C ATOM 282 O LYS A 20 4.172 -4.781 -0.941 1.00 0.00 O ATOM 283 CB LYS A 20 4.820 -7.413 -1.693 1.00 0.00 C ATOM 284 CG LYS A 20 4.994 -8.728 -2.464 1.00 0.00 C ATOM 285 CD LYS A 20 4.043 -9.779 -1.888 1.00 0.00 C ATOM 286 CE LYS A 20 2.597 -9.397 -2.216 1.00 0.00 C ATOM 287 NZ LYS A 20 1.962 -10.484 -3.013 1.00 0.00 N ATOM 0 H LYS A 20 6.988 -5.955 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 20 4.918 -6.444 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.458 -7.415 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.792 -7.323 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.786 -8.573 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.025 -9.073 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.274 -10.760 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.175 -9.851 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.036 -9.232 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.575 -8.462 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.208 -10.084 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.678 -10.934 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.557 -11.194 -2.370 1.00 0.00 H new ATOM 301 N LEU A 21 3.915 -4.204 -3.102 1.00 0.00 N ATOM 302 CA LEU A 21 3.129 -3.012 -2.796 1.00 0.00 C ATOM 303 C LEU A 21 1.642 -3.338 -2.874 1.00 0.00 C ATOM 304 O LEU A 21 1.185 -3.956 -3.835 1.00 0.00 O ATOM 305 CB LEU A 21 3.462 -1.890 -3.783 1.00 0.00 C ATOM 306 CG LEU A 21 4.701 -1.131 -3.303 1.00 0.00 C ATOM 307 CD1 LEU A 21 5.676 -0.955 -4.469 1.00 0.00 C ATOM 308 CD2 LEU A 21 4.285 0.245 -2.778 1.00 0.00 C ATOM 0 H LEU A 21 4.072 -4.365 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 21 3.374 -2.681 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.640 -2.306 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.617 -1.207 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 21 5.185 -1.695 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.558 -0.414 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.973 -1.934 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.192 -0.391 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.167 0.786 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.801 0.808 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.590 0.123 -1.947 1.00 0.00 H new ATOM 320 N ILE A 22 0.889 -2.931 -1.855 1.00 0.00 N ATOM 321 CA ILE A 22 -0.543 -3.207 -1.830 1.00 0.00 C ATOM 322 C ILE A 22 -1.341 -1.987 -1.395 1.00 0.00 C ATOM 323 O ILE A 22 -0.942 -1.261 -0.484 1.00 0.00 O ATOM 324 CB ILE A 22 -0.839 -4.344 -0.855 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.215 -5.442 -1.003 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.222 -4.925 -1.152 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.068 -6.435 0.150 1.00 0.00 C ATOM 0 H ILE A 22 1.241 -2.417 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.837 -3.482 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.816 -3.957 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.093 -5.954 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.214 -5.007 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.433 -5.737 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.976 -4.146 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.245 -5.307 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.817 -7.221 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.210 -5.916 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.928 -6.877 0.125 1.00 0.00 H new ATOM 339 N ASP A 23 -2.487 -1.788 -2.033 1.00 0.00 N ATOM 340 CA ASP A 23 -3.358 -0.681 -1.686 1.00 0.00 C ATOM 341 C ASP A 23 -4.621 -1.214 -1.034 1.00 0.00 C ATOM 342 O ASP A 23 -5.115 -2.282 -1.393 1.00 0.00 O ATOM 343 CB ASP A 23 -3.736 0.115 -2.929 1.00 0.00 C ATOM 344 CG ASP A 23 -4.796 1.153 -2.582 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.676 1.768 -1.535 1.00 0.00 O ATOM 346 OD2 ASP A 23 -5.715 1.317 -3.368 1.00 0.00 O ATOM 0 H ASP A 23 -2.831 -2.378 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.828 -0.027 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.854 0.607 -3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.112 -0.557 -3.700 1.00 0.00 H new ATOM 351 N ILE A 24 -5.138 -0.466 -0.079 1.00 0.00 N ATOM 352 CA ILE A 24 -6.346 -0.876 0.612 1.00 0.00 C ATOM 353 C ILE A 24 -7.486 0.079 0.275 1.00 0.00 C ATOM 354 O ILE A 24 -8.387 -0.262 -0.491 1.00 0.00 O ATOM 355 CB ILE A 24 -6.096 -0.896 2.124 1.00 0.00 C ATOM 356 CG1 ILE A 24 -5.014 0.128 2.490 1.00 0.00 C ATOM 357 CG2 ILE A 24 -5.610 -2.286 2.538 1.00 0.00 C ATOM 358 CD1 ILE A 24 -5.251 0.633 3.916 1.00 0.00 C ATOM 0 H ILE A 24 -4.745 0.422 0.235 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.624 -1.879 0.288 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.024 -0.650 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.027 -0.327 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.036 0.962 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.431 -2.304 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.368 -3.027 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.684 -2.519 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.482 1.361 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.232 1.104 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.207 -0.206 4.611 1.00 0.00 H new ATOM 370 N ARG A 25 -7.418 1.276 0.839 1.00 0.00 N ATOM 371 CA ARG A 25 -8.429 2.305 0.599 1.00 0.00 C ATOM 372 C ARG A 25 -9.732 1.690 0.092 1.00 0.00 C ATOM 373 O ARG A 25 -10.128 0.605 0.518 1.00 0.00 O ATOM 374 CB ARG A 25 -7.898 3.316 -0.423 1.00 0.00 C ATOM 375 CG ARG A 25 -7.679 2.621 -1.770 1.00 0.00 C ATOM 376 CD ARG A 25 -6.945 3.568 -2.723 1.00 0.00 C ATOM 377 NE ARG A 25 -7.614 4.865 -2.763 1.00 0.00 N ATOM 378 CZ ARG A 25 -7.460 5.683 -3.799 1.00 0.00 C ATOM 379 NH1 ARG A 25 -6.703 5.334 -4.801 1.00 0.00 N ATOM 380 NH2 ARG A 25 -8.067 6.839 -3.811 1.00 0.00 N ATOM 0 H ARG A 25 -6.670 1.563 1.470 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.638 2.810 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.605 4.138 -0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.962 3.748 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.099 1.709 -1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.637 2.327 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.912 3.694 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.914 3.136 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.209 5.148 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.228 4.432 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.586 5.963 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.658 7.113 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.950 7.468 -4.605 1.00 0.00 H new ATOM 394 N ASP A 26 -10.395 2.395 -0.819 1.00 0.00 N ATOM 395 CA ASP A 26 -11.651 1.915 -1.383 1.00 0.00 C ATOM 396 C ASP A 26 -11.490 1.663 -2.879 1.00 0.00 C ATOM 397 O ASP A 26 -11.351 2.601 -3.663 1.00 0.00 O ATOM 398 CB ASP A 26 -12.755 2.948 -1.153 1.00 0.00 C ATOM 399 CG ASP A 26 -12.325 3.934 -0.070 1.00 0.00 C ATOM 400 OD1 ASP A 26 -11.586 4.850 -0.391 1.00 0.00 O ATOM 401 OD2 ASP A 26 -12.739 3.756 1.063 1.00 0.00 O ATOM 0 H ASP A 26 -10.085 3.297 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.923 0.982 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.965 3.481 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.677 2.448 -0.857 1.00 0.00 H new ATOM 406 N ALA A 27 -11.501 0.392 -3.269 1.00 0.00 N ATOM 407 CA ALA A 27 -11.345 0.038 -4.674 1.00 0.00 C ATOM 408 C ALA A 27 -12.076 1.038 -5.564 1.00 0.00 C ATOM 409 O ALA A 27 -11.556 1.453 -6.598 1.00 0.00 O ATOM 410 CB ALA A 27 -11.888 -1.371 -4.926 1.00 0.00 C ATOM 0 H ALA A 27 -11.615 -0.402 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.283 0.063 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.766 -1.625 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.339 -2.087 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.946 -1.406 -4.664 1.00 0.00 H new ATOM 416 N ASP A 28 -13.280 1.426 -5.154 1.00 0.00 N ATOM 417 CA ASP A 28 -14.061 2.383 -5.930 1.00 0.00 C ATOM 418 C ASP A 28 -13.168 3.517 -6.418 1.00 0.00 C ATOM 419 O ASP A 28 -13.316 4.000 -7.541 1.00 0.00 O ATOM 420 CB ASP A 28 -15.193 2.953 -5.072 1.00 0.00 C ATOM 421 CG ASP A 28 -16.338 1.949 -4.983 1.00 0.00 C ATOM 422 OD1 ASP A 28 -16.866 1.589 -6.022 1.00 0.00 O ATOM 423 OD2 ASP A 28 -16.668 1.555 -3.877 1.00 0.00 O ATOM 0 H ASP A 28 -13.731 1.098 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.487 1.869 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.822 3.184 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.551 3.888 -5.503 1.00 0.00 H new ATOM 428 N GLU A 29 -12.238 3.935 -5.565 1.00 0.00 N ATOM 429 CA GLU A 29 -11.318 5.010 -5.915 1.00 0.00 C ATOM 430 C GLU A 29 -10.107 4.453 -6.651 1.00 0.00 C ATOM 431 O GLU A 29 -9.430 5.169 -7.388 1.00 0.00 O ATOM 432 CB GLU A 29 -10.858 5.733 -4.648 1.00 0.00 C ATOM 433 CG GLU A 29 -12.073 6.318 -3.926 1.00 0.00 C ATOM 434 CD GLU A 29 -11.634 7.449 -3.002 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.579 7.323 -2.404 1.00 0.00 O ATOM 436 OE2 GLU A 29 -12.361 8.424 -2.905 1.00 0.00 O ATOM 0 H GLU A 29 -12.102 3.548 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.836 5.713 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.330 5.040 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.156 6.527 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.794 6.690 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.574 5.540 -3.350 1.00 0.00 H new ATOM 443 N TYR A 30 -9.840 3.168 -6.444 1.00 0.00 N ATOM 444 CA TYR A 30 -8.708 2.519 -7.091 1.00 0.00 C ATOM 445 C TYR A 30 -9.071 2.096 -8.511 1.00 0.00 C ATOM 446 O TYR A 30 -8.212 2.035 -9.390 1.00 0.00 O ATOM 447 CB TYR A 30 -8.281 1.292 -6.283 1.00 0.00 C ATOM 448 CG TYR A 30 -6.812 1.024 -6.508 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.863 2.003 -6.188 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.399 -0.205 -7.038 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.501 1.752 -6.399 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.037 -0.455 -7.248 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.089 0.524 -6.928 1.00 0.00 C ATOM 454 OH TYR A 30 -2.746 0.278 -7.135 1.00 0.00 O ATOM 0 H TYR A 30 -10.389 2.559 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.883 3.229 -7.138 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.473 1.457 -5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.869 0.424 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.181 2.951 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.131 -0.960 -7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.769 2.507 -6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.718 -1.403 -7.657 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.632 -0.622 -7.506 1.00 0.00 H new ATOM 464 N LEU A 31 -10.349 1.806 -8.727 1.00 0.00 N ATOM 465 CA LEU A 31 -10.817 1.391 -10.044 1.00 0.00 C ATOM 466 C LEU A 31 -10.532 2.476 -11.077 1.00 0.00 C ATOM 467 O LEU A 31 -10.072 2.187 -12.182 1.00 0.00 O ATOM 468 CB LEU A 31 -12.319 1.105 -9.997 1.00 0.00 C ATOM 469 CG LEU A 31 -12.712 0.242 -11.197 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.934 -1.201 -10.738 1.00 0.00 C ATOM 471 CD2 LEU A 31 -14.003 0.784 -11.812 1.00 0.00 C ATOM 0 H LEU A 31 -11.075 1.850 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.286 0.484 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.574 0.593 -9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.879 2.040 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.915 0.268 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.214 -1.816 -11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.015 -1.588 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.731 -1.228 -9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.284 0.170 -12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.800 0.757 -11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.847 1.812 -12.139 1.00 0.00 H new ATOM 483 N ARG A 32 -10.802 3.724 -10.710 1.00 0.00 N ATOM 484 CA ARG A 32 -10.561 4.843 -11.615 1.00 0.00 C ATOM 485 C ARG A 32 -9.067 5.132 -11.703 1.00 0.00 C ATOM 486 O ARG A 32 -8.614 5.857 -12.589 1.00 0.00 O ATOM 487 CB ARG A 32 -11.298 6.089 -11.119 1.00 0.00 C ATOM 488 CG ARG A 32 -12.808 5.869 -11.226 1.00 0.00 C ATOM 489 CD ARG A 32 -13.528 7.217 -11.157 1.00 0.00 C ATOM 490 NE ARG A 32 -13.570 7.837 -12.476 1.00 0.00 N ATOM 491 CZ ARG A 32 -14.337 7.344 -13.442 1.00 0.00 C ATOM 492 NH1 ARG A 32 -15.071 6.290 -13.216 1.00 0.00 N ATOM 493 NH2 ARG A 32 -14.357 7.917 -14.614 1.00 0.00 N ATOM 0 H ARG A 32 -11.184 3.985 -9.801 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.933 4.578 -12.605 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.023 6.299 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.004 6.957 -11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.047 5.365 -12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.150 5.221 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.542 7.077 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.016 7.875 -10.455 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.001 8.663 -12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.056 5.845 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.660 5.911 -13.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.784 8.743 -14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.946 7.539 -15.356 1.00 0.00 H new ATOM 507 N GLU A 33 -8.308 4.557 -10.775 1.00 0.00 N ATOM 508 CA GLU A 33 -6.862 4.750 -10.748 1.00 0.00 C ATOM 509 C GLU A 33 -6.190 3.606 -9.996 1.00 0.00 C ATOM 510 O GLU A 33 -6.494 3.358 -8.830 1.00 0.00 O ATOM 511 CB GLU A 33 -6.527 6.078 -10.065 1.00 0.00 C ATOM 512 CG GLU A 33 -5.383 6.766 -10.812 1.00 0.00 C ATOM 513 CD GLU A 33 -5.196 8.184 -10.285 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.511 8.338 -9.287 1.00 0.00 O ATOM 515 OE2 GLU A 33 -5.740 9.095 -10.886 1.00 0.00 O ATOM 0 H GLU A 33 -8.669 3.956 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.493 4.766 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.406 6.723 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.244 5.903 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.461 6.198 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.598 6.791 -11.880 1.00 0.00 H new ATOM 522 N HIS A 34 -5.280 2.908 -10.668 1.00 0.00 N ATOM 523 CA HIS A 34 -4.582 1.790 -10.043 1.00 0.00 C ATOM 524 C HIS A 34 -3.145 1.709 -10.546 1.00 0.00 C ATOM 525 O HIS A 34 -2.860 2.048 -11.694 1.00 0.00 O ATOM 526 CB HIS A 34 -5.311 0.481 -10.355 1.00 0.00 C ATOM 527 CG HIS A 34 -5.042 0.084 -11.780 1.00 0.00 C ATOM 528 ND1 HIS A 34 -5.797 0.567 -12.838 1.00 0.00 N ATOM 529 CD2 HIS A 34 -4.104 -0.750 -12.340 1.00 0.00 C ATOM 530 CE1 HIS A 34 -5.305 0.025 -13.968 1.00 0.00 C ATOM 531 NE2 HIS A 34 -4.273 -0.785 -13.720 1.00 0.00 N ATOM 0 H HIS A 34 -5.011 3.094 -11.634 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.568 1.949 -8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.976 -0.305 -9.678 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.383 0.602 -10.196 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.350 -1.295 -11.792 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.697 0.222 -14.955 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.726 -1.316 -14.398 1.00 0.00 H new ATOM 539 N ILE A 35 -2.242 1.258 -9.681 1.00 0.00 N ATOM 540 CA ILE A 35 -0.839 1.138 -10.056 1.00 0.00 C ATOM 541 C ILE A 35 -0.557 -0.254 -10.624 1.00 0.00 C ATOM 542 O ILE A 35 -0.938 -1.261 -10.026 1.00 0.00 O ATOM 543 CB ILE A 35 0.049 1.381 -8.834 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.497 2.571 -8.041 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.476 1.686 -9.293 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.353 2.782 -6.788 1.00 0.00 C ATOM 0 H ILE A 35 -2.454 0.972 -8.725 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.618 1.884 -10.820 1.00 0.00 H new ATOM 0 HB ILE A 35 0.054 0.492 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.484 3.470 -8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.535 2.391 -7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.109 1.859 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.864 0.841 -9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.473 2.576 -9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.036 3.629 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.317 1.886 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.385 2.982 -7.078 1.00 0.00 H new ATOM 558 N PRO A 36 0.094 -0.336 -11.759 1.00 0.00 N ATOM 559 CA PRO A 36 0.419 -1.642 -12.405 1.00 0.00 C ATOM 560 C PRO A 36 1.586 -2.350 -11.730 1.00 0.00 C ATOM 561 O PRO A 36 2.266 -3.175 -12.341 1.00 0.00 O ATOM 562 CB PRO A 36 0.776 -1.253 -13.833 1.00 0.00 C ATOM 563 CG PRO A 36 1.292 0.147 -13.745 1.00 0.00 C ATOM 564 CD PRO A 36 0.590 0.801 -12.555 1.00 0.00 C ATOM 0 HA PRO A 36 -0.410 -2.346 -12.339 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.529 -1.924 -14.247 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.095 -1.310 -14.485 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.373 0.153 -13.607 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.085 0.694 -14.665 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.277 1.421 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.226 1.446 -12.879 1.00 0.00 H new ATOM 572 N GLU A 37 1.806 -2.023 -10.469 1.00 0.00 N ATOM 573 CA GLU A 37 2.892 -2.630 -9.710 1.00 0.00 C ATOM 574 C GLU A 37 2.503 -2.793 -8.246 1.00 0.00 C ATOM 575 O GLU A 37 3.338 -2.649 -7.353 1.00 0.00 O ATOM 576 CB GLU A 37 4.148 -1.764 -9.812 1.00 0.00 C ATOM 577 CG GLU A 37 4.811 -1.988 -11.172 1.00 0.00 C ATOM 578 CD GLU A 37 5.474 -3.361 -11.210 1.00 0.00 C ATOM 579 OE1 GLU A 37 5.448 -4.038 -10.195 1.00 0.00 O ATOM 580 OE2 GLU A 37 5.997 -3.716 -12.253 1.00 0.00 O ATOM 0 H GLU A 37 1.251 -1.344 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 37 3.093 -3.615 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.889 -0.712 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.843 -2.016 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.067 -1.912 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.553 -1.211 -11.356 1.00 0.00 H new ATOM 587 N ALA A 38 1.231 -3.093 -8.005 1.00 0.00 N ATOM 588 CA ALA A 38 0.748 -3.272 -6.639 1.00 0.00 C ATOM 589 C ALA A 38 -0.590 -4.006 -6.628 1.00 0.00 C ATOM 590 O ALA A 38 -1.399 -3.854 -7.543 1.00 0.00 O ATOM 591 CB ALA A 38 0.591 -1.911 -5.959 1.00 0.00 C ATOM 0 H ALA A 38 0.522 -3.216 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 38 1.478 -3.870 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.230 -2.053 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.555 -1.403 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.124 -1.306 -6.516 1.00 0.00 H new ATOM 597 N ASP A 39 -0.815 -4.800 -5.585 1.00 0.00 N ATOM 598 CA ASP A 39 -2.060 -5.551 -5.464 1.00 0.00 C ATOM 599 C ASP A 39 -3.148 -4.683 -4.834 1.00 0.00 C ATOM 600 O ASP A 39 -2.855 -3.668 -4.202 1.00 0.00 O ATOM 601 CB ASP A 39 -1.839 -6.796 -4.602 1.00 0.00 C ATOM 602 CG ASP A 39 -1.304 -7.938 -5.461 1.00 0.00 C ATOM 603 OD1 ASP A 39 -1.538 -7.913 -6.657 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.668 -8.821 -4.907 1.00 0.00 O ATOM 0 H ASP A 39 -0.158 -4.939 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.379 -5.852 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.135 -6.573 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.776 -7.093 -4.131 1.00 0.00 H new ATOM 609 N LEU A 40 -4.402 -5.087 -5.013 1.00 0.00 N ATOM 610 CA LEU A 40 -5.524 -4.334 -4.460 1.00 0.00 C ATOM 611 C LEU A 40 -6.259 -5.158 -3.406 1.00 0.00 C ATOM 612 O LEU A 40 -6.740 -6.255 -3.688 1.00 0.00 O ATOM 613 CB LEU A 40 -6.495 -3.955 -5.579 1.00 0.00 C ATOM 614 CG LEU A 40 -7.659 -3.153 -4.998 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.139 -1.822 -4.454 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.693 -2.887 -6.095 1.00 0.00 C ATOM 0 H LEU A 40 -4.666 -5.924 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.135 -3.431 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.979 -3.368 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.869 -4.854 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.123 -3.719 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.969 -1.249 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.402 -2.011 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.675 -1.256 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.524 -2.315 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.229 -2.321 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.064 -3.836 -6.483 1.00 0.00 H new ATOM 628 N ALA A 41 -6.342 -4.623 -2.189 1.00 0.00 N ATOM 629 CA ALA A 41 -7.022 -5.327 -1.106 1.00 0.00 C ATOM 630 C ALA A 41 -7.417 -4.362 0.015 1.00 0.00 C ATOM 631 O ALA A 41 -6.613 -4.065 0.899 1.00 0.00 O ATOM 632 CB ALA A 41 -6.106 -6.412 -0.539 1.00 0.00 C ATOM 0 H ALA A 41 -5.952 -3.716 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.927 -5.779 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.618 -6.935 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.852 -7.122 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.194 -5.954 -0.155 1.00 0.00 H new ATOM 638 N PRO A 42 -8.635 -3.880 -0.001 1.00 0.00 N ATOM 639 CA PRO A 42 -9.141 -2.939 1.042 1.00 0.00 C ATOM 640 C PRO A 42 -8.801 -3.412 2.454 1.00 0.00 C ATOM 641 O PRO A 42 -8.728 -4.612 2.718 1.00 0.00 O ATOM 642 CB PRO A 42 -10.654 -2.922 0.814 1.00 0.00 C ATOM 643 CG PRO A 42 -10.844 -3.287 -0.621 1.00 0.00 C ATOM 644 CD PRO A 42 -9.661 -4.176 -1.015 1.00 0.00 C ATOM 0 HA PRO A 42 -8.687 -1.952 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.158 -3.632 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.072 -1.938 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.787 -3.814 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.880 -2.394 -1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.936 -5.231 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.307 -3.946 -2.020 1.00 0.00 H new ATOM 652 N LEU A 43 -8.576 -2.459 3.352 1.00 0.00 N ATOM 653 CA LEU A 43 -8.227 -2.785 4.731 1.00 0.00 C ATOM 654 C LEU A 43 -9.430 -3.347 5.489 1.00 0.00 C ATOM 655 O LEU A 43 -9.269 -4.061 6.478 1.00 0.00 O ATOM 656 CB LEU A 43 -7.704 -1.540 5.453 1.00 0.00 C ATOM 657 CG LEU A 43 -8.878 -0.670 5.901 1.00 0.00 C ATOM 658 CD1 LEU A 43 -9.121 -0.880 7.394 1.00 0.00 C ATOM 659 CD2 LEU A 43 -8.548 0.801 5.643 1.00 0.00 C ATOM 0 H LEU A 43 -8.628 -1.460 3.152 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.448 -3.547 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.106 -1.833 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.050 -0.972 4.791 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.772 -0.946 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.958 -0.261 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.352 -1.929 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.227 -0.601 7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.384 1.423 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.655 1.078 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.369 0.952 4.579 1.00 0.00 H new ATOM 671 N SER A 44 -10.631 -3.010 5.029 1.00 0.00 N ATOM 672 CA SER A 44 -11.846 -3.476 5.687 1.00 0.00 C ATOM 673 C SER A 44 -12.127 -4.934 5.344 1.00 0.00 C ATOM 674 O SER A 44 -12.625 -5.692 6.177 1.00 0.00 O ATOM 675 CB SER A 44 -13.033 -2.614 5.258 1.00 0.00 C ATOM 676 OG SER A 44 -13.428 -2.980 3.942 1.00 0.00 O ATOM 0 H SER A 44 -10.788 -2.421 4.211 1.00 0.00 H new ATOM 0 HA SER A 44 -11.702 -3.394 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.864 -2.749 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.761 -1.559 5.288 1.00 0.00 H new ATOM 0 HG SER A 44 -14.190 -2.430 3.664 1.00 0.00 H new ATOM 682 N VAL A 45 -11.813 -5.320 4.114 1.00 0.00 N ATOM 683 CA VAL A 45 -12.044 -6.691 3.677 1.00 0.00 C ATOM 684 C VAL A 45 -10.877 -7.589 4.077 1.00 0.00 C ATOM 685 O VAL A 45 -11.055 -8.782 4.322 1.00 0.00 O ATOM 686 CB VAL A 45 -12.231 -6.736 2.158 1.00 0.00 C ATOM 687 CG1 VAL A 45 -13.152 -5.595 1.716 1.00 0.00 C ATOM 688 CG2 VAL A 45 -10.873 -6.593 1.466 1.00 0.00 C ATOM 0 H VAL A 45 -11.402 -4.710 3.407 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.949 -7.056 4.163 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.679 -7.690 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.282 -5.631 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.122 -5.701 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.708 -4.640 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.010 -6.626 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.420 -5.642 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.220 -7.410 1.774 1.00 0.00 H new ATOM 698 N LEU A 46 -9.687 -7.006 4.138 1.00 0.00 N ATOM 699 CA LEU A 46 -8.493 -7.760 4.504 1.00 0.00 C ATOM 700 C LEU A 46 -8.568 -8.229 5.955 1.00 0.00 C ATOM 701 O LEU A 46 -8.174 -9.351 6.275 1.00 0.00 O ATOM 702 CB LEU A 46 -7.253 -6.888 4.311 1.00 0.00 C ATOM 703 CG LEU A 46 -5.997 -7.736 4.507 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.925 -7.296 3.509 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.474 -7.549 5.933 1.00 0.00 C ATOM 0 H LEU A 46 -9.522 -6.019 3.940 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.430 -8.637 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.256 -6.449 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.262 -6.062 5.023 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.237 -8.786 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.029 -7.900 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.298 -7.428 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.684 -6.246 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.578 -8.153 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.233 -6.499 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.238 -7.861 6.645 1.00 0.00 H new ATOM 717 N GLU A 47 -9.066 -7.362 6.830 1.00 0.00 N ATOM 718 CA GLU A 47 -9.177 -7.700 8.246 1.00 0.00 C ATOM 719 C GLU A 47 -10.159 -8.851 8.459 1.00 0.00 C ATOM 720 O GLU A 47 -9.846 -9.826 9.141 1.00 0.00 O ATOM 721 CB GLU A 47 -9.642 -6.478 9.040 1.00 0.00 C ATOM 722 CG GLU A 47 -9.401 -6.713 10.534 1.00 0.00 C ATOM 723 CD GLU A 47 -10.713 -6.591 11.301 1.00 0.00 C ATOM 724 OE1 GLU A 47 -11.383 -5.585 11.133 1.00 0.00 O ATOM 725 OE2 GLU A 47 -11.028 -7.504 12.046 1.00 0.00 O ATOM 0 H GLU A 47 -9.397 -6.428 6.588 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.194 -8.013 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.102 -5.590 8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.701 -6.294 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.970 -7.702 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.680 -5.988 10.913 1.00 0.00 H new ATOM 732 N GLN A 48 -11.347 -8.727 7.879 1.00 0.00 N ATOM 733 CA GLN A 48 -12.366 -9.761 8.020 1.00 0.00 C ATOM 734 C GLN A 48 -11.965 -11.025 7.266 1.00 0.00 C ATOM 735 O GLN A 48 -12.271 -12.138 7.694 1.00 0.00 O ATOM 736 CB GLN A 48 -13.706 -9.252 7.486 1.00 0.00 C ATOM 737 CG GLN A 48 -14.048 -7.915 8.148 1.00 0.00 C ATOM 738 CD GLN A 48 -14.690 -8.156 9.509 1.00 0.00 C ATOM 739 OE1 GLN A 48 -14.332 -9.106 10.206 1.00 0.00 O ATOM 740 NE2 GLN A 48 -15.622 -7.349 9.932 1.00 0.00 N ATOM 0 H GLN A 48 -11.627 -7.928 7.311 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.462 -10.001 9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.655 -9.131 6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.490 -9.981 7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.145 -7.316 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.727 -7.348 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.917 -6.563 9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.056 -7.504 10.842 1.00 0.00 H new ATOM 749 N SER A 49 -11.283 -10.846 6.140 1.00 0.00 N ATOM 750 CA SER A 49 -10.850 -11.979 5.333 1.00 0.00 C ATOM 751 C SER A 49 -9.700 -12.716 6.007 1.00 0.00 C ATOM 752 O SER A 49 -9.891 -13.771 6.612 1.00 0.00 O ATOM 753 CB SER A 49 -10.405 -11.497 3.953 1.00 0.00 C ATOM 754 OG SER A 49 -9.737 -12.554 3.277 1.00 0.00 O ATOM 0 H SER A 49 -11.020 -9.933 5.768 1.00 0.00 H new ATOM 0 HA SER A 49 -11.692 -12.664 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.268 -11.169 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.742 -10.637 4.052 1.00 0.00 H new ATOM 0 HG SER A 49 -9.452 -12.247 2.391 1.00 0.00 H new ATOM 760 N GLY A 50 -8.505 -12.151 5.893 1.00 0.00 N ATOM 761 CA GLY A 50 -7.321 -12.759 6.489 1.00 0.00 C ATOM 762 C GLY A 50 -6.439 -13.387 5.418 1.00 0.00 C ATOM 763 O GLY A 50 -6.415 -14.606 5.252 1.00 0.00 O ATOM 0 H GLY A 50 -8.330 -11.278 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.755 -12.005 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.621 -13.518 7.211 1.00 0.00 H new ATOM 767 N LEU A 51 -5.719 -12.542 4.689 1.00 0.00 N ATOM 768 CA LEU A 51 -4.838 -13.015 3.629 1.00 0.00 C ATOM 769 C LEU A 51 -3.387 -12.657 3.934 1.00 0.00 C ATOM 770 O LEU A 51 -2.901 -11.598 3.539 1.00 0.00 O ATOM 771 CB LEU A 51 -5.251 -12.385 2.297 1.00 0.00 C ATOM 772 CG LEU A 51 -4.361 -12.923 1.175 1.00 0.00 C ATOM 773 CD1 LEU A 51 -4.719 -14.383 0.891 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.582 -12.090 -0.091 1.00 0.00 C ATOM 0 H LEU A 51 -5.728 -11.530 4.812 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.924 -14.100 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.296 -12.611 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.165 -11.300 2.354 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.316 -12.859 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.084 -14.764 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.565 -14.977 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.764 -14.449 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.949 -12.471 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.628 -12.156 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.327 -11.049 0.109 1.00 0.00 H new ATOM 786 N PRO A 52 -2.697 -13.520 4.628 1.00 0.00 N ATOM 787 CA PRO A 52 -1.268 -13.301 5.000 1.00 0.00 C ATOM 788 C PRO A 52 -0.380 -13.097 3.776 1.00 0.00 C ATOM 789 O PRO A 52 0.392 -13.982 3.404 1.00 0.00 O ATOM 790 CB PRO A 52 -0.872 -14.579 5.747 1.00 0.00 C ATOM 791 CG PRO A 52 -2.151 -15.236 6.148 1.00 0.00 C ATOM 792 CD PRO A 52 -3.205 -14.801 5.135 1.00 0.00 C ATOM 0 HA PRO A 52 -1.144 -12.400 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.280 -15.235 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.262 -14.347 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.044 -16.321 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.438 -14.940 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.316 -15.532 4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.184 -14.687 5.600 1.00 0.00 H new ATOM 800 N ALA A 53 -0.489 -11.927 3.155 1.00 0.00 N ATOM 801 CA ALA A 53 0.315 -11.624 1.975 1.00 0.00 C ATOM 802 C ALA A 53 1.800 -11.755 2.296 1.00 0.00 C ATOM 803 O ALA A 53 2.611 -12.054 1.419 1.00 0.00 O ATOM 804 CB ALA A 53 0.017 -10.205 1.490 1.00 0.00 C ATOM 0 H ALA A 53 -1.119 -11.179 3.445 1.00 0.00 H new ATOM 0 HA ALA A 53 0.060 -12.335 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.621 -9.987 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.039 -10.122 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.257 -9.493 2.280 1.00 0.00 H new ATOM 810 N LYS A 54 2.149 -11.530 3.559 1.00 0.00 N ATOM 811 CA LYS A 54 3.539 -11.627 3.987 1.00 0.00 C ATOM 812 C LYS A 54 4.136 -12.964 3.556 1.00 0.00 C ATOM 813 O LYS A 54 5.351 -13.093 3.404 1.00 0.00 O ATOM 814 CB LYS A 54 3.621 -11.485 5.513 1.00 0.00 C ATOM 815 CG LYS A 54 4.806 -12.293 6.050 1.00 0.00 C ATOM 816 CD LYS A 54 4.996 -11.998 7.538 1.00 0.00 C ATOM 817 CE LYS A 54 5.998 -12.990 8.131 1.00 0.00 C ATOM 818 NZ LYS A 54 5.264 -14.094 8.810 1.00 0.00 N ATOM 0 H LYS A 54 1.493 -11.281 4.299 1.00 0.00 H new ATOM 0 HA LYS A 54 4.109 -10.824 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.733 -10.435 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.695 -11.834 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.631 -13.358 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.712 -12.038 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.354 -10.978 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.042 -12.073 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.635 -13.393 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.651 -12.483 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.946 -14.768 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.674 -13.702 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.659 -14.584 8.121 1.00 0.00 H new ATOM 832 N LEU A 55 3.274 -13.956 3.368 1.00 0.00 N ATOM 833 CA LEU A 55 3.726 -15.281 2.962 1.00 0.00 C ATOM 834 C LEU A 55 4.049 -15.314 1.471 1.00 0.00 C ATOM 835 O LEU A 55 4.674 -16.256 0.984 1.00 0.00 O ATOM 836 CB LEU A 55 2.640 -16.315 3.270 1.00 0.00 C ATOM 837 CG LEU A 55 3.076 -17.182 4.451 1.00 0.00 C ATOM 838 CD1 LEU A 55 2.993 -16.366 5.743 1.00 0.00 C ATOM 839 CD2 LEU A 55 2.152 -18.398 4.556 1.00 0.00 C ATOM 0 H LEU A 55 2.265 -13.869 3.489 1.00 0.00 H new ATOM 0 HA LEU A 55 4.632 -15.519 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.701 -15.813 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.460 -16.939 2.395 1.00 0.00 H new ATOM 0 HG LEU A 55 4.103 -17.515 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.304 -16.985 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.649 -15.499 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.967 -16.033 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.461 -19.018 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.126 -18.063 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.210 -18.980 3.636 1.00 0.00 H new ATOM 851 N ARG A 56 3.619 -14.283 0.751 1.00 0.00 N ATOM 852 CA ARG A 56 3.874 -14.217 -0.684 1.00 0.00 C ATOM 853 C ARG A 56 5.170 -13.470 -0.962 1.00 0.00 C ATOM 854 O ARG A 56 5.420 -13.034 -2.086 1.00 0.00 O ATOM 855 CB ARG A 56 2.713 -13.520 -1.395 1.00 0.00 C ATOM 856 CG ARG A 56 1.425 -14.318 -1.174 1.00 0.00 C ATOM 857 CD ARG A 56 0.431 -14.004 -2.295 1.00 0.00 C ATOM 858 NE ARG A 56 0.918 -14.530 -3.565 1.00 0.00 N ATOM 859 CZ ARG A 56 0.303 -14.247 -4.708 1.00 0.00 C ATOM 860 NH1 ARG A 56 -0.760 -13.490 -4.707 1.00 0.00 N ATOM 861 NH2 ARG A 56 0.759 -14.728 -5.833 1.00 0.00 N ATOM 0 H ARG A 56 3.099 -13.492 1.131 1.00 0.00 H new ATOM 0 HA ARG A 56 3.967 -15.235 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.595 -12.506 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.923 -13.437 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.645 -15.386 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.990 -14.066 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.540 -14.440 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.287 -12.926 -2.371 1.00 0.00 H new ATOM 0 HE ARG A 56 1.746 -15.126 -3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.119 -13.116 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.232 -13.273 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.588 -15.322 -5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.286 -14.510 -6.710 1.00 0.00 H new ATOM 875 N HIS A 57 5.990 -13.327 0.069 1.00 0.00 N ATOM 876 CA HIS A 57 7.265 -12.633 -0.073 1.00 0.00 C ATOM 877 C HIS A 57 7.900 -12.375 1.292 1.00 0.00 C ATOM 878 O HIS A 57 7.510 -12.977 2.293 1.00 0.00 O ATOM 879 CB HIS A 57 7.052 -11.300 -0.799 1.00 0.00 C ATOM 880 CG HIS A 57 7.733 -11.337 -2.140 1.00 0.00 C ATOM 881 ND1 HIS A 57 7.131 -11.885 -3.261 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.964 -10.895 -2.555 1.00 0.00 C ATOM 883 CE1 HIS A 57 7.992 -11.761 -4.286 1.00 0.00 C ATOM 884 NE2 HIS A 57 9.126 -11.163 -3.911 1.00 0.00 N ATOM 0 H HIS A 57 5.799 -13.679 1.007 1.00 0.00 H new ATOM 0 HA HIS A 57 7.936 -13.265 -0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.986 -11.111 -0.927 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.451 -10.481 -0.200 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.203 -12.306 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.696 -10.412 -1.925 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.791 -12.103 -5.290 1.00 0.00 H new ATOM 892 N GLU A 58 8.874 -11.473 1.317 1.00 0.00 N ATOM 893 CA GLU A 58 9.560 -11.129 2.559 1.00 0.00 C ATOM 894 C GLU A 58 9.407 -9.640 2.841 1.00 0.00 C ATOM 895 O GLU A 58 9.355 -9.214 3.995 1.00 0.00 O ATOM 896 CB GLU A 58 11.045 -11.485 2.455 1.00 0.00 C ATOM 897 CG GLU A 58 11.758 -11.084 3.748 1.00 0.00 C ATOM 898 CD GLU A 58 13.241 -11.423 3.651 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.551 -12.585 3.447 1.00 0.00 O ATOM 900 OE2 GLU A 58 14.046 -10.516 3.783 1.00 0.00 O ATOM 0 H GLU A 58 9.206 -10.968 0.496 1.00 0.00 H new ATOM 0 HA GLU A 58 9.115 -11.696 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.162 -12.554 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.494 -10.971 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.631 -10.016 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.312 -11.604 4.596 1.00 0.00 H new ATOM 907 N GLN A 59 9.319 -8.858 1.772 1.00 0.00 N ATOM 908 CA GLN A 59 9.154 -7.418 1.898 1.00 0.00 C ATOM 909 C GLN A 59 7.772 -7.020 1.393 1.00 0.00 C ATOM 910 O GLN A 59 7.345 -7.459 0.325 1.00 0.00 O ATOM 911 CB GLN A 59 10.228 -6.697 1.081 1.00 0.00 C ATOM 912 CG GLN A 59 11.247 -6.057 2.025 1.00 0.00 C ATOM 913 CD GLN A 59 12.478 -5.616 1.240 1.00 0.00 C ATOM 914 OE1 GLN A 59 12.378 -5.295 0.056 1.00 0.00 O ATOM 915 NE2 GLN A 59 13.640 -5.581 1.833 1.00 0.00 N ATOM 0 H GLN A 59 9.359 -9.197 0.811 1.00 0.00 H new ATOM 0 HA GLN A 59 9.254 -7.135 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.726 -7.401 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.770 -5.933 0.452 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.800 -5.200 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.535 -6.768 2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.720 -5.848 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.468 -5.287 1.315 1.00 0.00 H new ATOM 924 N ILE A 60 7.072 -6.198 2.165 1.00 0.00 N ATOM 925 CA ILE A 60 5.736 -5.768 1.776 1.00 0.00 C ATOM 926 C ILE A 60 5.505 -4.309 2.155 1.00 0.00 C ATOM 927 O ILE A 60 6.042 -3.822 3.149 1.00 0.00 O ATOM 928 CB ILE A 60 4.696 -6.653 2.463 1.00 0.00 C ATOM 929 CG1 ILE A 60 5.257 -8.069 2.610 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.421 -6.702 1.620 1.00 0.00 C ATOM 931 CD1 ILE A 60 6.285 -8.101 3.742 1.00 0.00 C ATOM 0 H ILE A 60 7.402 -5.820 3.053 1.00 0.00 H new ATOM 0 HA ILE A 60 5.640 -5.861 0.694 1.00 0.00 H new ATOM 0 HB ILE A 60 4.464 -6.242 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.449 -8.771 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.721 -8.386 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.683 -7.334 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.020 -5.695 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.651 -7.112 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.683 -9.111 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.098 -7.412 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.808 -7.803 4.676 1.00 0.00 H new ATOM 943 N ILE A 61 4.701 -3.620 1.352 1.00 0.00 N ATOM 944 CA ILE A 61 4.400 -2.216 1.607 1.00 0.00 C ATOM 945 C ILE A 61 2.914 -1.943 1.396 1.00 0.00 C ATOM 946 O ILE A 61 2.286 -2.521 0.508 1.00 0.00 O ATOM 947 CB ILE A 61 5.219 -1.326 0.671 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.616 -1.924 0.487 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.342 0.074 1.276 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.562 -0.851 -0.055 1.00 0.00 C ATOM 0 H ILE A 61 4.249 -4.008 0.524 1.00 0.00 H new ATOM 0 HA ILE A 61 4.660 -1.990 2.641 1.00 0.00 H new ATOM 0 HB ILE A 61 4.720 -1.263 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.988 -2.306 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.574 -2.768 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.926 0.709 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.348 0.502 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.840 0.010 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.557 -1.276 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.192 -0.491 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.612 -0.021 0.649 1.00 0.00 H new ATOM 962 N PHE A 62 2.358 -1.058 2.216 1.00 0.00 N ATOM 963 CA PHE A 62 0.944 -0.713 2.110 1.00 0.00 C ATOM 964 C PHE A 62 0.776 0.793 1.942 1.00 0.00 C ATOM 965 O PHE A 62 1.603 1.573 2.415 1.00 0.00 O ATOM 966 CB PHE A 62 0.199 -1.169 3.366 1.00 0.00 C ATOM 967 CG PHE A 62 -0.008 -2.663 3.316 1.00 0.00 C ATOM 968 CD1 PHE A 62 1.043 -3.527 3.644 1.00 0.00 C ATOM 969 CD2 PHE A 62 -1.253 -3.185 2.945 1.00 0.00 C ATOM 970 CE1 PHE A 62 0.851 -4.912 3.599 1.00 0.00 C ATOM 971 CE2 PHE A 62 -1.446 -4.571 2.900 1.00 0.00 C ATOM 972 CZ PHE A 62 -0.394 -5.435 3.229 1.00 0.00 C ATOM 0 H PHE A 62 2.860 -0.569 2.957 1.00 0.00 H new ATOM 0 HA PHE A 62 0.530 -1.218 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.767 -0.900 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.763 -0.660 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.003 -3.124 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.065 -2.518 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.663 -5.578 3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.406 -4.974 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.543 -6.504 3.197 1.00 0.00 H new ATOM 982 N HIS A 63 -0.295 1.201 1.266 1.00 0.00 N ATOM 983 CA HIS A 63 -0.540 2.624 1.054 1.00 0.00 C ATOM 984 C HIS A 63 -2.001 2.899 0.714 1.00 0.00 C ATOM 985 O HIS A 63 -2.653 2.116 0.022 1.00 0.00 O ATOM 986 CB HIS A 63 0.343 3.143 -0.077 1.00 0.00 C ATOM 987 CG HIS A 63 -0.109 2.547 -1.381 1.00 0.00 C ATOM 988 ND1 HIS A 63 0.369 1.331 -1.844 1.00 0.00 N ATOM 989 CD2 HIS A 63 -0.995 2.987 -2.332 1.00 0.00 C ATOM 990 CE1 HIS A 63 -0.226 1.084 -3.024 1.00 0.00 C ATOM 991 NE2 HIS A 63 -1.068 2.062 -3.369 1.00 0.00 N ATOM 0 H HIS A 63 -0.995 0.579 0.862 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.300 3.140 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.290 4.231 -0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.385 2.883 0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.551 3.911 -2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.045 0.202 -3.621 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.641 2.119 -4.211 1.00 0.00 H new ATOM 999 N CYS A 64 -2.496 4.030 1.200 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.874 4.434 0.947 1.00 0.00 C ATOM 1001 C CYS A 64 -3.903 5.732 0.147 1.00 0.00 C ATOM 1002 O CYS A 64 -2.963 6.523 0.208 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.617 4.634 2.269 1.00 0.00 C ATOM 1004 SG CYS A 64 -6.028 5.737 2.003 1.00 0.00 S ATOM 0 H CYS A 64 -1.963 4.685 1.772 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.365 3.647 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.959 3.674 2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.946 5.058 3.016 1.00 0.00 H new ATOM 0 HG CYS A 64 -7.133 5.085 2.210 1.00 0.00 H new ATOM 1010 N GLN A 65 -4.987 5.940 -0.597 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.134 7.148 -1.407 1.00 0.00 C ATOM 1012 C GLN A 65 -4.237 8.264 -0.882 1.00 0.00 C ATOM 1013 O GLN A 65 -3.412 8.809 -1.615 1.00 0.00 O ATOM 1014 CB GLN A 65 -6.590 7.618 -1.382 1.00 0.00 C ATOM 1015 CG GLN A 65 -6.777 8.753 -2.391 1.00 0.00 C ATOM 1016 CD GLN A 65 -6.020 9.995 -1.926 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -6.267 10.499 -0.830 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -5.109 10.521 -2.699 1.00 0.00 N ATOM 0 H GLN A 65 -5.773 5.292 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.840 6.910 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.255 6.789 -1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.856 7.959 -0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.415 8.442 -3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.837 8.983 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.906 10.102 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.600 11.351 -2.396 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.407 8.598 0.393 1.00 0.00 N ATOM 1028 CA ALA A 66 -3.610 9.651 1.011 1.00 0.00 C ATOM 1029 C ALA A 66 -2.619 9.055 2.007 1.00 0.00 C ATOM 1030 O ALA A 66 -1.602 9.669 2.329 1.00 0.00 O ATOM 1031 CB ALA A 66 -4.526 10.648 1.725 1.00 0.00 C ATOM 0 H ALA A 66 -5.085 8.158 1.015 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.053 10.169 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.923 11.432 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.212 11.093 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.096 10.130 2.496 1.00 0.00 H new ATOM 1037 N GLY A 67 -2.923 7.854 2.491 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.051 7.184 3.449 1.00 0.00 C ATOM 1039 C GLY A 67 -2.729 7.057 4.810 1.00 0.00 C ATOM 1040 O GLY A 67 -2.516 6.084 5.532 1.00 0.00 O ATOM 0 H GLY A 67 -3.760 7.329 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.788 6.194 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.121 7.743 3.553 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.544 8.050 5.151 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.248 8.044 6.429 1.00 0.00 C ATOM 1046 C LYS A 68 -4.649 6.625 6.817 1.00 0.00 C ATOM 1047 O LYS A 68 -4.183 6.091 7.823 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.497 8.923 6.338 1.00 0.00 C ATOM 1049 CG LYS A 68 -6.058 8.873 4.915 1.00 0.00 C ATOM 1050 CD LYS A 68 -7.587 8.871 4.966 1.00 0.00 C ATOM 1051 CE LYS A 68 -8.146 9.039 3.552 1.00 0.00 C ATOM 1052 NZ LYS A 68 -8.012 7.754 2.811 1.00 0.00 N ATOM 0 H LYS A 68 -3.733 8.864 4.565 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.578 8.439 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.249 8.579 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.251 9.950 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.704 9.731 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.700 7.980 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.945 7.938 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.941 9.679 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.193 9.338 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.610 9.831 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.497 7.830 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.005 7.547 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.441 6.987 3.367 1.00 0.00 H new ATOM 1066 N ARG A 69 -5.518 6.021 6.014 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.978 4.662 6.283 1.00 0.00 C ATOM 1068 C ARG A 69 -4.794 3.723 6.486 1.00 0.00 C ATOM 1069 O ARG A 69 -4.832 2.833 7.337 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.833 4.162 5.117 1.00 0.00 C ATOM 1071 CG ARG A 69 -8.313 4.250 5.492 1.00 0.00 C ATOM 1072 CD ARG A 69 -9.168 4.103 4.232 1.00 0.00 C ATOM 1073 NE ARG A 69 -10.585 4.064 4.581 1.00 0.00 N ATOM 1074 CZ ARG A 69 -11.238 5.168 4.929 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -10.613 6.313 4.967 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -12.505 5.108 5.234 1.00 0.00 N ATOM 0 H ARG A 69 -5.916 6.447 5.177 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.575 4.675 7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.637 4.759 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.569 3.133 4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.565 3.468 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.520 5.204 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.976 4.936 3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.892 3.191 3.702 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.083 3.174 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.622 6.361 4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.115 7.160 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.995 4.214 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.006 5.955 5.501 1.00 0.00 H new ATOM 1090 N THR A 70 -3.743 3.926 5.697 1.00 0.00 N ATOM 1091 CA THR A 70 -2.552 3.091 5.797 1.00 0.00 C ATOM 1092 C THR A 70 -1.961 3.162 7.200 1.00 0.00 C ATOM 1093 O THR A 70 -1.641 2.136 7.803 1.00 0.00 O ATOM 1094 CB THR A 70 -1.508 3.550 4.778 1.00 0.00 C ATOM 1095 OG1 THR A 70 -2.158 3.937 3.576 1.00 0.00 O ATOM 1096 CG2 THR A 70 -0.537 2.407 4.486 1.00 0.00 C ATOM 0 H THR A 70 -3.692 4.656 4.987 1.00 0.00 H new ATOM 0 HA THR A 70 -2.836 2.060 5.589 1.00 0.00 H new ATOM 0 HB THR A 70 -0.956 4.398 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.778 3.231 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.206 2.737 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.036 2.111 5.408 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.087 1.557 4.082 1.00 0.00 H new ATOM 1104 N SER A 71 -1.814 4.377 7.714 1.00 0.00 N ATOM 1105 CA SER A 71 -1.255 4.570 9.047 1.00 0.00 C ATOM 1106 C SER A 71 -2.232 4.094 10.118 1.00 0.00 C ATOM 1107 O SER A 71 -1.844 3.846 11.259 1.00 0.00 O ATOM 1108 CB SER A 71 -0.933 6.049 9.269 1.00 0.00 C ATOM 1109 OG SER A 71 -1.877 6.845 8.564 1.00 0.00 O ATOM 0 H SER A 71 -2.072 5.238 7.232 1.00 0.00 H new ATOM 0 HA SER A 71 -0.340 3.982 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.964 6.284 10.333 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.077 6.269 8.923 1.00 0.00 H new ATOM 0 HG SER A 71 -2.781 6.509 8.736 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.502 3.969 9.744 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.527 3.523 10.684 1.00 0.00 C ATOM 1117 C ASN A 72 -4.561 2.000 10.764 1.00 0.00 C ATOM 1118 O ASN A 72 -4.583 1.427 11.853 1.00 0.00 O ATOM 1119 CB ASN A 72 -5.899 4.044 10.252 1.00 0.00 C ATOM 1120 CG ASN A 72 -6.850 4.061 11.445 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -6.916 5.050 12.174 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -7.595 3.018 11.688 1.00 0.00 N ATOM 0 H ASN A 72 -3.845 4.168 8.804 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.282 3.920 11.669 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.802 5.048 9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.305 3.412 9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.234 3.022 12.483 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.539 2.199 11.083 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.571 1.349 9.604 1.00 0.00 N ATOM 1130 CA ASN A 73 -4.608 -0.108 9.559 1.00 0.00 C ATOM 1131 C ASN A 73 -3.202 -0.688 9.686 1.00 0.00 C ATOM 1132 O ASN A 73 -3.033 -1.883 9.930 1.00 0.00 O ATOM 1133 CB ASN A 73 -5.238 -0.573 8.244 1.00 0.00 C ATOM 1134 CG ASN A 73 -5.906 -1.932 8.436 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -5.542 -2.903 7.772 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -6.867 -2.058 9.309 1.00 0.00 N ATOM 0 H ASN A 73 -4.554 1.803 8.691 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.209 -0.462 10.396 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.972 0.158 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.474 -0.640 7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.319 -2.963 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.166 -1.252 9.858 1.00 0.00 H new ATOM 1143 N ALA A 74 -2.197 0.165 9.519 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.812 -0.278 9.619 1.00 0.00 C ATOM 1145 C ALA A 74 -0.598 -1.080 10.900 1.00 0.00 C ATOM 1146 O ALA A 74 0.287 -1.933 10.970 1.00 0.00 O ATOM 1147 CB ALA A 74 0.127 0.929 9.608 1.00 0.00 C ATOM 0 H ALA A 74 -2.314 1.158 9.316 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.592 -0.915 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.159 0.588 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.005 1.484 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.103 1.577 10.454 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.415 -0.800 11.910 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.307 -1.501 13.184 1.00 0.00 C ATOM 1155 C ASP A 75 -1.749 -2.954 13.037 1.00 0.00 C ATOM 1156 O ASP A 75 -1.173 -3.853 13.650 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.175 -0.808 14.237 1.00 0.00 C ATOM 1158 CG ASP A 75 -1.419 -0.711 15.557 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -0.269 -0.301 15.531 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -1.999 -1.047 16.576 1.00 0.00 O ATOM 0 H ASP A 75 -2.154 -0.098 11.872 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.264 -1.480 13.500 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.451 0.189 13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.101 -1.364 14.379 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.776 -3.177 12.221 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.289 -4.525 12.003 1.00 0.00 C ATOM 1167 C LYS A 76 -2.350 -5.322 11.101 1.00 0.00 C ATOM 1168 O LYS A 76 -2.301 -6.550 11.172 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.676 -4.457 11.363 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.687 -3.951 12.393 1.00 0.00 C ATOM 1171 CD LYS A 76 -6.456 -5.136 12.977 1.00 0.00 C ATOM 1172 CE LYS A 76 -7.511 -4.627 13.960 1.00 0.00 C ATOM 1173 NZ LYS A 76 -7.826 -3.203 13.657 1.00 0.00 N ATOM 0 H LYS A 76 -3.266 -2.447 11.704 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.356 -5.026 12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.658 -3.793 10.499 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.971 -5.442 11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.173 -3.410 13.188 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.378 -3.250 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.933 -5.703 12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.769 -5.814 13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.414 -5.234 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.146 -4.720 14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.647 -2.901 14.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.006 -2.608 13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.045 -3.104 12.645 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.610 -4.617 10.251 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.680 -5.274 9.339 1.00 0.00 C ATOM 1189 C LEU A 77 0.560 -5.752 10.088 1.00 0.00 C ATOM 1190 O LEU A 77 0.895 -6.936 10.061 1.00 0.00 O ATOM 1191 CB LEU A 77 -0.266 -4.307 8.230 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.512 -3.805 7.498 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -1.107 -2.744 6.474 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -2.184 -4.975 6.778 1.00 0.00 C ATOM 0 H LEU A 77 -1.635 -3.600 10.175 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.181 -6.137 8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.284 -3.466 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.404 -4.806 7.530 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.207 -3.371 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.994 -2.385 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.625 -1.911 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.413 -3.179 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.072 -4.619 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.489 -5.407 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.471 -5.734 7.506 1.00 0.00 H new ATOM 1206 N ALA A 78 1.236 -4.823 10.753 1.00 0.00 N ATOM 1207 CA ALA A 78 2.439 -5.159 11.506 1.00 0.00 C ATOM 1208 C ALA A 78 2.255 -6.475 12.256 1.00 0.00 C ATOM 1209 O ALA A 78 3.228 -7.142 12.607 1.00 0.00 O ATOM 1210 CB ALA A 78 2.758 -4.043 12.503 1.00 0.00 C ATOM 0 H ALA A 78 0.975 -3.838 10.787 1.00 0.00 H new ATOM 0 HA ALA A 78 3.265 -5.268 10.803 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.658 -4.301 13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.920 -3.109 11.964 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.924 -3.923 13.194 1.00 0.00 H new ATOM 1216 N ALA A 79 1.001 -6.841 12.501 1.00 0.00 N ATOM 1217 CA ALA A 79 0.701 -8.078 13.213 1.00 0.00 C ATOM 1218 C ALA A 79 0.872 -9.285 12.296 1.00 0.00 C ATOM 1219 O ALA A 79 1.585 -10.232 12.626 1.00 0.00 O ATOM 1220 CB ALA A 79 -0.734 -8.040 13.743 1.00 0.00 C ATOM 0 H ALA A 79 0.181 -6.303 12.219 1.00 0.00 H new ATOM 0 HA ALA A 79 1.397 -8.170 14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.951 -8.967 14.274 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.848 -7.197 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.427 -7.929 12.909 1.00 0.00 H new ATOM 1226 N ILE A 80 0.212 -9.242 11.144 1.00 0.00 N ATOM 1227 CA ILE A 80 0.293 -10.338 10.185 1.00 0.00 C ATOM 1228 C ILE A 80 1.626 -10.303 9.444 1.00 0.00 C ATOM 1229 O ILE A 80 2.033 -11.291 8.832 1.00 0.00 O ATOM 1230 CB ILE A 80 -0.851 -10.236 9.172 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.163 -9.921 9.897 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -0.991 -11.565 8.428 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.152 -9.300 8.910 1.00 0.00 C ATOM 0 H ILE A 80 -0.382 -8.465 10.852 1.00 0.00 H new ATOM 0 HA ILE A 80 0.213 -11.277 10.732 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.631 -9.438 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.583 -10.831 10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.979 -9.235 10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.805 -11.494 7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.061 -11.789 7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.207 -12.360 9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.086 -9.075 9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.731 -8.380 8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.344 -10.001 8.098 1.00 0.00 H new ATOM 1245 N ALA A 81 2.297 -9.157 9.493 1.00 0.00 N ATOM 1246 CA ALA A 81 3.578 -9.002 8.813 1.00 0.00 C ATOM 1247 C ALA A 81 4.731 -9.456 9.704 1.00 0.00 C ATOM 1248 O ALA A 81 5.887 -9.452 9.284 1.00 0.00 O ATOM 1249 CB ALA A 81 3.785 -7.540 8.419 1.00 0.00 C ATOM 0 H ALA A 81 1.978 -8.327 9.993 1.00 0.00 H new ATOM 0 HA ALA A 81 3.564 -9.626 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.744 -7.432 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.983 -7.226 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.776 -6.917 9.314 1.00 0.00 H new ATOM 1255 N ALA A 82 4.412 -9.847 10.933 1.00 0.00 N ATOM 1256 CA ALA A 82 5.440 -10.300 11.864 1.00 0.00 C ATOM 1257 C ALA A 82 6.630 -9.349 11.843 1.00 0.00 C ATOM 1258 O ALA A 82 6.637 -8.361 11.109 1.00 0.00 O ATOM 1259 CB ALA A 82 5.899 -11.708 11.484 1.00 0.00 C ATOM 0 H ALA A 82 3.462 -9.860 11.305 1.00 0.00 H new ATOM 0 HA ALA A 82 5.019 -10.315 12.869 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.667 -12.041 12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.050 -12.391 11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.308 -11.697 10.474 1.00 0.00 H new ATOM 1265 N PRO A 83 7.624 -9.628 12.638 1.00 0.00 N ATOM 1266 CA PRO A 83 8.846 -8.778 12.725 1.00 0.00 C ATOM 1267 C PRO A 83 9.544 -8.643 11.374 1.00 0.00 C ATOM 1268 O PRO A 83 10.658 -8.128 11.287 1.00 0.00 O ATOM 1269 CB PRO A 83 9.737 -9.503 13.739 1.00 0.00 C ATOM 1270 CG PRO A 83 8.841 -10.440 14.482 1.00 0.00 C ATOM 1271 CD PRO A 83 7.692 -10.784 13.541 1.00 0.00 C ATOM 0 HA PRO A 83 8.612 -7.757 13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.538 -10.046 13.236 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.210 -8.794 14.419 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.381 -11.339 14.778 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.468 -9.977 15.395 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.884 -11.708 12.995 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.757 -10.923 14.084 1.00 0.00 H new ATOM 1279 N ALA A 84 8.875 -9.106 10.322 1.00 0.00 N ATOM 1280 CA ALA A 84 9.432 -9.029 8.976 1.00 0.00 C ATOM 1281 C ALA A 84 9.804 -7.589 8.638 1.00 0.00 C ATOM 1282 O ALA A 84 9.839 -6.725 9.514 1.00 0.00 O ATOM 1283 CB ALA A 84 8.409 -9.542 7.961 1.00 0.00 C ATOM 0 H ALA A 84 7.952 -9.536 10.375 1.00 0.00 H new ATOM 0 HA ALA A 84 10.329 -9.647 8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.830 -9.482 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.159 -10.578 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.507 -8.932 8.013 1.00 0.00 H new ATOM 1289 N GLU A 85 10.074 -7.336 7.361 1.00 0.00 N ATOM 1290 CA GLU A 85 10.436 -5.994 6.920 1.00 0.00 C ATOM 1291 C GLU A 85 9.270 -5.349 6.178 1.00 0.00 C ATOM 1292 O GLU A 85 8.970 -5.709 5.040 1.00 0.00 O ATOM 1293 CB GLU A 85 11.660 -6.054 6.003 1.00 0.00 C ATOM 1294 CG GLU A 85 12.655 -7.083 6.544 1.00 0.00 C ATOM 1295 CD GLU A 85 12.598 -7.114 8.068 1.00 0.00 C ATOM 1296 OE1 GLU A 85 12.832 -6.078 8.671 1.00 0.00 O ATOM 1297 OE2 GLU A 85 12.323 -8.171 8.610 1.00 0.00 O ATOM 0 H GLU A 85 10.049 -8.036 6.619 1.00 0.00 H new ATOM 0 HA GLU A 85 10.675 -5.393 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.356 -6.323 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.131 -5.073 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.424 -8.070 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.664 -6.834 6.215 1.00 0.00 H new ATOM 1304 N ILE A 86 8.614 -4.397 6.833 1.00 0.00 N ATOM 1305 CA ILE A 86 7.479 -3.712 6.226 1.00 0.00 C ATOM 1306 C ILE A 86 7.755 -2.218 6.107 1.00 0.00 C ATOM 1307 O ILE A 86 8.295 -1.600 7.023 1.00 0.00 O ATOM 1308 CB ILE A 86 6.221 -3.938 7.070 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.604 -4.615 8.387 1.00 0.00 C ATOM 1310 CG2 ILE A 86 5.242 -4.834 6.308 1.00 0.00 C ATOM 1311 CD1 ILE A 86 5.410 -4.575 9.343 1.00 0.00 C ATOM 0 H ILE A 86 8.846 -4.084 7.776 1.00 0.00 H new ATOM 0 HA ILE A 86 7.324 -4.120 5.227 1.00 0.00 H new ATOM 0 HB ILE A 86 5.749 -2.977 7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.904 -5.647 8.205 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.459 -4.109 8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.348 -4.992 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.965 -4.355 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.714 -5.794 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.680 -5.057 10.283 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.131 -3.539 9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.567 -5.101 8.895 1.00 0.00 H new ATOM 1323 N PHE A 87 7.377 -1.642 4.970 1.00 0.00 N ATOM 1324 CA PHE A 87 7.585 -0.219 4.741 1.00 0.00 C ATOM 1325 C PHE A 87 6.248 0.496 4.593 1.00 0.00 C ATOM 1326 O PHE A 87 5.202 -0.143 4.483 1.00 0.00 O ATOM 1327 CB PHE A 87 8.426 -0.010 3.481 1.00 0.00 C ATOM 1328 CG PHE A 87 9.889 -0.024 3.852 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.486 1.121 4.393 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.647 -1.183 3.655 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.843 1.105 4.737 1.00 0.00 C ATOM 1332 CE2 PHE A 87 12.004 -1.199 3.999 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.602 -0.054 4.539 1.00 0.00 C ATOM 0 H PHE A 87 6.928 -2.136 4.199 1.00 0.00 H new ATOM 0 HA PHE A 87 8.113 0.198 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.215 -0.795 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.167 0.938 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.900 2.016 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.185 -2.066 3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.304 1.987 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.589 -2.094 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.649 -0.065 4.803 1.00 0.00 H new ATOM 1343 N LEU A 88 6.285 1.824 4.596 1.00 0.00 N ATOM 1344 CA LEU A 88 5.063 2.605 4.468 1.00 0.00 C ATOM 1345 C LEU A 88 5.272 3.787 3.527 1.00 0.00 C ATOM 1346 O LEU A 88 6.217 4.559 3.685 1.00 0.00 O ATOM 1347 CB LEU A 88 4.628 3.110 5.844 1.00 0.00 C ATOM 1348 CG LEU A 88 3.121 3.333 5.838 1.00 0.00 C ATOM 1349 CD1 LEU A 88 2.397 1.985 5.900 1.00 0.00 C ATOM 1350 CD2 LEU A 88 2.726 4.182 7.049 1.00 0.00 C ATOM 0 H LEU A 88 7.138 2.376 4.685 1.00 0.00 H new ATOM 0 HA LEU A 88 4.285 1.965 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.898 2.386 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.145 4.039 6.085 1.00 0.00 H new ATOM 0 HG LEU A 88 2.838 3.851 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.320 2.150 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.675 1.382 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.680 1.462 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.648 4.342 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.013 3.665 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.236 5.144 7.001 1.00 0.00 H new ATOM 1362 N LEU A 89 4.382 3.925 2.547 1.00 0.00 N ATOM 1363 CA LEU A 89 4.478 5.020 1.587 1.00 0.00 C ATOM 1364 C LEU A 89 3.743 6.253 2.103 1.00 0.00 C ATOM 1365 O LEU A 89 2.513 6.281 2.152 1.00 0.00 O ATOM 1366 CB LEU A 89 3.882 4.592 0.245 1.00 0.00 C ATOM 1367 CG LEU A 89 4.203 5.646 -0.817 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.633 4.954 -2.111 1.00 0.00 C ATOM 1369 CD2 LEU A 89 2.957 6.494 -1.083 1.00 0.00 C ATOM 0 H LEU A 89 3.592 3.297 2.398 1.00 0.00 H new ATOM 0 HA LEU A 89 5.531 5.269 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.288 3.625 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.803 4.470 0.337 1.00 0.00 H new ATOM 0 HG LEU A 89 5.011 6.285 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.861 5.705 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.519 4.348 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.825 4.315 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.183 7.246 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.150 5.853 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.649 6.988 -0.161 1.00 0.00 H new ATOM 1381 N GLU A 90 4.506 7.274 2.483 1.00 0.00 N ATOM 1382 CA GLU A 90 3.918 8.508 2.993 1.00 0.00 C ATOM 1383 C GLU A 90 3.133 9.222 1.897 1.00 0.00 C ATOM 1384 O GLU A 90 3.488 9.151 0.720 1.00 0.00 O ATOM 1385 CB GLU A 90 5.022 9.430 3.515 1.00 0.00 C ATOM 1386 CG GLU A 90 4.450 10.360 4.586 1.00 0.00 C ATOM 1387 CD GLU A 90 5.395 11.535 4.813 1.00 0.00 C ATOM 1388 OE1 GLU A 90 5.894 12.066 3.836 1.00 0.00 O ATOM 1389 OE2 GLU A 90 5.608 11.885 5.962 1.00 0.00 O ATOM 0 H GLU A 90 5.525 7.272 2.448 1.00 0.00 H new ATOM 0 HA GLU A 90 3.236 8.257 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.838 8.838 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.439 10.015 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.470 10.725 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.307 9.812 5.517 1.00 0.00 H new ATOM 1396 N ASP A 91 2.069 9.913 2.292 1.00 0.00 N ATOM 1397 CA ASP A 91 1.244 10.641 1.333 1.00 0.00 C ATOM 1398 C ASP A 91 0.321 9.687 0.580 1.00 0.00 C ATOM 1399 O ASP A 91 -0.814 10.035 0.254 1.00 0.00 O ATOM 1400 CB ASP A 91 2.137 11.379 0.333 1.00 0.00 C ATOM 1401 CG ASP A 91 1.380 12.557 -0.273 1.00 0.00 C ATOM 1402 OD1 ASP A 91 0.449 13.027 0.361 1.00 0.00 O ATOM 1403 OD2 ASP A 91 1.743 12.972 -1.361 1.00 0.00 O ATOM 0 H ASP A 91 1.759 9.985 3.261 1.00 0.00 H new ATOM 0 HA ASP A 91 0.635 11.360 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.039 11.734 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.455 10.697 -0.455 1.00 0.00 H new ATOM 1408 N GLY A 92 0.816 8.486 0.303 1.00 0.00 N ATOM 1409 CA GLY A 92 0.027 7.494 -0.417 1.00 0.00 C ATOM 1410 C GLY A 92 0.297 7.577 -1.915 1.00 0.00 C ATOM 1411 O GLY A 92 1.274 8.188 -2.346 1.00 0.00 O ATOM 0 H GLY A 92 1.753 8.177 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.269 6.495 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.034 7.655 -0.224 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.574 6.961 -2.706 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.413 6.978 -4.155 1.00 0.00 C ATOM 1417 C ILE A 93 -0.245 8.407 -4.656 1.00 0.00 C ATOM 1418 O ILE A 93 0.285 8.635 -5.742 1.00 0.00 O ATOM 1419 CB ILE A 93 -1.629 6.340 -4.826 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -1.564 6.590 -6.335 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -2.909 6.958 -4.260 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.543 5.657 -7.051 1.00 0.00 C ATOM 0 H ILE A 93 -1.391 6.449 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 93 0.480 6.407 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.631 5.267 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.810 7.629 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.551 6.420 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.776 6.502 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.954 6.782 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.911 8.031 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.496 5.836 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.276 4.621 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.555 5.849 -6.695 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.697 9.368 -3.855 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.587 10.772 -4.230 1.00 0.00 C ATOM 1436 C ASP A 94 0.878 11.166 -4.384 1.00 0.00 C ATOM 1437 O ASP A 94 1.207 12.097 -5.120 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.250 11.652 -3.168 1.00 0.00 C ATOM 1439 CG ASP A 94 -2.056 12.760 -3.839 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -1.618 13.240 -4.872 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -3.097 13.112 -3.311 1.00 0.00 O ATOM 0 H ASP A 94 -1.139 9.202 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.094 10.918 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.902 11.047 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.491 12.086 -2.517 1.00 0.00 H new ATOM 1446 N GLY A 95 1.753 10.447 -3.689 1.00 0.00 N ATOM 1447 CA GLY A 95 3.183 10.725 -3.761 1.00 0.00 C ATOM 1448 C GLY A 95 3.787 10.102 -5.013 1.00 0.00 C ATOM 1449 O GLY A 95 4.692 10.666 -5.626 1.00 0.00 O ATOM 0 H GLY A 95 1.500 9.673 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.350 11.802 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.681 10.330 -2.875 1.00 0.00 H new ATOM 1453 N TRP A 96 3.273 8.935 -5.391 1.00 0.00 N ATOM 1454 CA TRP A 96 3.761 8.243 -6.578 1.00 0.00 C ATOM 1455 C TRP A 96 3.389 9.026 -7.832 1.00 0.00 C ATOM 1456 O TRP A 96 4.107 8.998 -8.832 1.00 0.00 O ATOM 1457 CB TRP A 96 3.153 6.842 -6.649 1.00 0.00 C ATOM 1458 CG TRP A 96 4.189 5.870 -7.113 1.00 0.00 C ATOM 1459 CD1 TRP A 96 5.267 5.481 -6.393 1.00 0.00 C ATOM 1460 CD2 TRP A 96 4.266 5.159 -8.383 1.00 0.00 C ATOM 1461 NE1 TRP A 96 6.000 4.577 -7.140 1.00 0.00 N ATOM 1462 CE2 TRP A 96 5.424 4.346 -8.374 1.00 0.00 C ATOM 1463 CE3 TRP A 96 3.452 5.141 -9.530 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 5.763 3.543 -9.464 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 3.790 4.333 -10.629 1.00 0.00 C ATOM 1466 CH2 TRP A 96 4.943 3.537 -10.596 1.00 0.00 C ATOM 0 H TRP A 96 2.524 8.452 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 96 4.846 8.163 -6.517 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.776 6.548 -5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.303 6.837 -7.332 1.00 0.00 H new ATOM 0 HD1 TRP A 96 5.514 5.821 -5.398 1.00 0.00 H new ATOM 0 HE1 TRP A 96 6.861 4.135 -6.819 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.562 5.752 -9.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 6.652 2.931 -9.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.157 4.325 -11.504 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.198 2.919 -11.445 1.00 0.00 H new ATOM 1477 N LYS A 97 2.261 9.729 -7.767 1.00 0.00 N ATOM 1478 CA LYS A 97 1.800 10.523 -8.900 1.00 0.00 C ATOM 1479 C LYS A 97 2.678 11.757 -9.075 1.00 0.00 C ATOM 1480 O LYS A 97 2.979 12.161 -10.199 1.00 0.00 O ATOM 1481 CB LYS A 97 0.348 10.955 -8.677 1.00 0.00 C ATOM 1482 CG LYS A 97 -0.594 9.887 -9.234 1.00 0.00 C ATOM 1483 CD LYS A 97 -2.035 10.216 -8.833 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.823 10.656 -10.069 1.00 0.00 C ATOM 1485 NZ LYS A 97 -4.248 10.881 -9.696 1.00 0.00 N ATOM 0 H LYS A 97 1.654 9.765 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 97 1.863 9.913 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.160 11.101 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.162 11.910 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.509 9.843 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.314 8.905 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.506 9.343 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.043 11.007 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.395 11.570 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.755 9.895 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.853 10.728 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.519 10.216 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.368 11.856 -9.356 1.00 0.00 H new ATOM 1499 N ARG A 98 3.088 12.349 -7.958 1.00 0.00 N ATOM 1500 CA ARG A 98 3.935 13.536 -8.000 1.00 0.00 C ATOM 1501 C ARG A 98 5.366 13.152 -8.359 1.00 0.00 C ATOM 1502 O ARG A 98 6.074 13.904 -9.028 1.00 0.00 O ATOM 1503 CB ARG A 98 3.919 14.240 -6.641 1.00 0.00 C ATOM 1504 CG ARG A 98 2.653 15.091 -6.521 1.00 0.00 C ATOM 1505 CD ARG A 98 2.796 16.057 -5.344 1.00 0.00 C ATOM 1506 NE ARG A 98 3.151 15.328 -4.132 1.00 0.00 N ATOM 1507 CZ ARG A 98 3.868 15.901 -3.170 1.00 0.00 C ATOM 1508 NH1 ARG A 98 4.261 17.139 -3.298 1.00 0.00 N ATOM 1509 NH2 ARG A 98 4.175 15.226 -2.097 1.00 0.00 N ATOM 0 H ARG A 98 2.850 12.029 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 98 3.547 14.213 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.952 13.504 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.803 14.868 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.487 15.647 -7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.784 14.450 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.561 16.801 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.861 16.596 -5.192 1.00 0.00 H new ATOM 0 HE ARG A 98 2.844 14.362 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.018 17.667 -4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.811 17.578 -2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.865 14.259 -1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.725 15.665 -1.358 1.00 0.00 H new ATOM 1523 N ALA A 99 5.782 11.972 -7.909 1.00 0.00 N ATOM 1524 CA ALA A 99 7.130 11.489 -8.188 1.00 0.00 C ATOM 1525 C ALA A 99 7.420 11.545 -9.686 1.00 0.00 C ATOM 1526 O ALA A 99 8.574 11.460 -10.107 1.00 0.00 O ATOM 1527 CB ALA A 99 7.281 10.050 -7.691 1.00 0.00 C ATOM 0 H ALA A 99 5.209 11.336 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 99 7.841 12.130 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.290 9.696 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.102 10.016 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.558 9.412 -8.199 1.00 0.00 H new ATOM 1533 N GLY A 100 6.366 11.688 -10.484 1.00 0.00 N ATOM 1534 CA GLY A 100 6.521 11.752 -11.933 1.00 0.00 C ATOM 1535 C GLY A 100 6.324 10.376 -12.561 1.00 0.00 C ATOM 1536 O GLY A 100 6.940 10.050 -13.575 1.00 0.00 O ATOM 0 H GLY A 100 5.403 11.761 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.798 12.454 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.513 12.131 -12.181 1.00 0.00 H new ATOM 1540 N LEU A 101 5.460 9.574 -11.948 1.00 0.00 N ATOM 1541 CA LEU A 101 5.187 8.232 -12.452 1.00 0.00 C ATOM 1542 C LEU A 101 3.704 8.086 -12.804 1.00 0.00 C ATOM 1543 O LEU A 101 2.862 7.954 -11.916 1.00 0.00 O ATOM 1544 CB LEU A 101 5.566 7.197 -11.393 1.00 0.00 C ATOM 1545 CG LEU A 101 6.995 7.458 -10.914 1.00 0.00 C ATOM 1546 CD1 LEU A 101 7.241 6.710 -9.603 1.00 0.00 C ATOM 1547 CD2 LEU A 101 7.984 6.969 -11.974 1.00 0.00 C ATOM 0 H LEU A 101 4.940 9.827 -11.108 1.00 0.00 H new ATOM 0 HA LEU A 101 5.781 8.068 -13.351 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.874 7.250 -10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.488 6.192 -11.807 1.00 0.00 H new ATOM 0 HG LEU A 101 7.134 8.527 -10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.260 6.897 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.537 7.058 -8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.102 5.641 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.003 7.154 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.844 5.900 -12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.810 7.504 -12.908 1.00 0.00 H new ATOM 1559 N PRO A 102 3.371 8.110 -14.071 1.00 0.00 N ATOM 1560 CA PRO A 102 1.957 7.982 -14.533 1.00 0.00 C ATOM 1561 C PRO A 102 1.207 6.866 -13.809 1.00 0.00 C ATOM 1562 O PRO A 102 1.816 5.966 -13.232 1.00 0.00 O ATOM 1563 CB PRO A 102 2.095 7.676 -16.025 1.00 0.00 C ATOM 1564 CG PRO A 102 3.390 8.296 -16.433 1.00 0.00 C ATOM 1565 CD PRO A 102 4.301 8.261 -15.205 1.00 0.00 C ATOM 0 HA PRO A 102 1.376 8.881 -14.329 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.098 6.601 -16.208 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.263 8.094 -16.591 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.837 7.748 -17.262 1.00 0.00 H new ATOM 0 HG3 PRO A 102 3.238 9.320 -16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 102 5.006 7.431 -15.255 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.889 9.175 -15.119 1.00 0.00 H new ATOM 1573 N VAL A 103 -0.122 6.937 -13.843 1.00 0.00 N ATOM 1574 CA VAL A 103 -0.952 5.938 -13.188 1.00 0.00 C ATOM 1575 C VAL A 103 -1.701 5.106 -14.226 1.00 0.00 C ATOM 1576 O VAL A 103 -1.682 5.420 -15.416 1.00 0.00 O ATOM 1577 CB VAL A 103 -1.956 6.633 -12.269 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -1.286 6.970 -10.935 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -2.444 7.924 -12.932 1.00 0.00 C ATOM 0 H VAL A 103 -0.643 7.675 -14.317 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.313 5.277 -12.602 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.802 5.969 -12.092 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.004 7.465 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.937 6.053 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.438 7.632 -11.111 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.160 8.421 -12.278 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.596 8.585 -13.110 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.924 7.687 -13.881 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.362 4.045 -13.769 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.113 3.182 -14.672 1.00 0.00 C ATOM 1591 C ALA A 104 -4.556 3.052 -14.201 1.00 0.00 C ATOM 1592 O ALA A 104 -4.812 2.696 -13.052 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.463 1.797 -14.732 1.00 0.00 C ATOM 0 H ALA A 104 -2.392 3.765 -12.789 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.105 3.627 -15.667 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.030 1.158 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.439 1.891 -15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.456 1.355 -13.736 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.499 3.343 -15.092 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.911 3.254 -14.742 1.00 0.00 C ATOM 1601 C VAL A 105 -7.483 1.911 -15.174 1.00 0.00 C ATOM 1602 O VAL A 105 -7.255 1.459 -16.296 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.696 4.377 -15.421 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.120 4.411 -14.865 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -7.011 5.718 -15.153 1.00 0.00 C ATOM 0 H VAL A 105 -5.314 3.639 -16.050 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.000 3.351 -13.660 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.729 4.197 -16.496 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.680 5.211 -15.348 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.609 3.457 -15.059 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.087 4.589 -13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.572 6.517 -15.638 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.975 5.900 -14.079 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.997 5.694 -15.551 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.228 1.278 -14.277 1.00 0.00 N ATOM 1616 CA ASN A 106 -8.826 -0.015 -14.578 1.00 0.00 C ATOM 1617 C ASN A 106 -10.181 0.165 -15.257 1.00 0.00 C ATOM 1618 O ASN A 106 -11.150 0.589 -14.626 1.00 0.00 O ATOM 1619 CB ASN A 106 -9.003 -0.823 -13.290 1.00 0.00 C ATOM 1620 CG ASN A 106 -9.499 -2.227 -13.622 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -9.935 -2.482 -14.745 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -9.460 -3.156 -12.707 1.00 0.00 N ATOM 0 H ASN A 106 -8.431 1.635 -13.343 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.161 -0.551 -15.255 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.056 -0.880 -12.753 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.713 -0.323 -12.631 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.791 -4.097 -12.921 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.098 -2.942 -11.778 1.00 0.00 H new ATOM 1629 N LYS A 107 -10.241 -0.162 -16.544 1.00 0.00 N ATOM 1630 CA LYS A 107 -11.485 -0.033 -17.296 1.00 0.00 C ATOM 1631 C LYS A 107 -12.679 -0.409 -16.425 1.00 0.00 C ATOM 1632 O LYS A 107 -12.956 -1.592 -16.313 1.00 0.00 O ATOM 1633 CB LYS A 107 -11.448 -0.936 -18.531 1.00 0.00 C ATOM 1634 CG LYS A 107 -12.602 -0.570 -19.466 1.00 0.00 C ATOM 1635 CD LYS A 107 -12.664 -1.571 -20.622 1.00 0.00 C ATOM 1636 CE LYS A 107 -13.955 -1.355 -21.414 1.00 0.00 C ATOM 1637 NZ LYS A 107 -13.889 -2.124 -22.690 1.00 0.00 N ATOM 1638 OXT LYS A 107 -13.299 0.492 -15.883 1.00 0.00 O ATOM 0 H LYS A 107 -9.451 -0.515 -17.084 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.590 1.006 -17.610 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.496 -0.822 -19.049 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.525 -1.981 -18.233 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -13.544 -0.575 -18.917 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.464 0.440 -19.853 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.799 -1.445 -21.274 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.627 -2.590 -20.237 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.814 -1.679 -20.826 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -14.093 -0.294 -21.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -14.766 -1.978 -23.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.078 -1.795 -23.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.776 -3.136 -22.480 1.00 0.00 H new