USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 798 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 19 THR OG1 : rot 88:sc= 1.27 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.956 K(o=2.2,f=-2.7) USER MOD Set 2.1: A 46 ASN : amide:sc= -2.7! C(o=-2.3!,f=-11!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -153:sc= 0.437 (180deg=0.00684!) USER MOD Single : A 18 ASN :FLIP amide:sc= 1.08 F(o=-0.39,f=1.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 22 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.19) USER MOD Single : A 25 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0158) USER MOD Single : A 33 HIS : no HD1:sc= 0.326 K(o=0.33,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot 75:sc= 0.435 USER MOD Single : A 36 HIS : no HE2:sc= 0.882 K(o=0.88,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.744) USER MOD Single : A 44 THR OG1 : rot 117:sc= 0.722 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0294 (180deg=-0.212) USER MOD Single : A 58 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 60 SER OG : rot 68:sc= 0.586 USER MOD Single : A 67 SER OG : rot 8:sc= 0.344 USER MOD Single : A 70 TYR OH : rot -110:sc= 0.917 USER MOD Single : A 72 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.31) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc=-0.00586 (180deg=-0.0985) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 94 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0145) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.3) USER MOD Single : A 112 SER OG : rot -101:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 11.462 12.449 2.743 1.00 0.00 N ATOM 2 CA ASN A 18 12.525 11.560 2.273 1.00 0.00 C ATOM 3 C ASN A 18 11.998 10.735 1.142 1.00 0.00 C ATOM 4 O ASN A 18 10.795 10.700 0.923 1.00 0.00 O ATOM 5 CB ASN A 18 13.053 10.643 3.393 1.00 0.00 C ATOM 6 CG ASN A 18 13.691 11.408 4.537 1.00 0.00 C ATOM 7 OD1 ASN A 18 14.649 10.805 5.190 1.00 0.00 O flip ATOM 8 ND2 ASN A 18 13.319 12.537 4.823 1.00 0.00 N flip ATOM 0 HA ASN A 18 13.363 12.173 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.230 10.042 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.784 9.951 2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.568 12.977 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.760 13.039 5.594 1.00 0.00 H new ATOM 17 N THR A 19 12.868 10.010 0.489 1.00 0.00 N ATOM 18 CA THR A 19 12.543 9.276 -0.714 1.00 0.00 C ATOM 19 C THR A 19 11.469 8.191 -0.510 1.00 0.00 C ATOM 20 O THR A 19 10.481 8.168 -1.228 1.00 0.00 O ATOM 21 CB THR A 19 13.828 8.642 -1.235 1.00 0.00 C ATOM 22 OG1 THR A 19 14.549 8.112 -0.105 1.00 0.00 O ATOM 23 CG2 THR A 19 14.690 9.664 -1.952 1.00 0.00 C ATOM 0 H THR A 19 13.840 9.909 0.780 1.00 0.00 H new ATOM 0 HA THR A 19 12.118 9.980 -1.429 1.00 0.00 H new ATOM 0 HB THR A 19 13.582 7.855 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.253 7.194 0.071 1.00 0.00 H new ATOM 0 HG21 THR A 19 15.600 9.184 -2.313 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.138 10.077 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.952 10.466 -1.263 1.00 0.00 H new ATOM 31 N ALA A 20 11.649 7.358 0.498 1.00 0.00 N ATOM 32 CA ALA A 20 10.766 6.212 0.761 1.00 0.00 C ATOM 33 C ALA A 20 9.292 6.598 0.931 1.00 0.00 C ATOM 34 O ALA A 20 8.405 6.011 0.304 1.00 0.00 O ATOM 35 CB ALA A 20 11.245 5.495 1.996 1.00 0.00 C ATOM 0 H ALA A 20 12.413 7.449 1.167 1.00 0.00 H new ATOM 0 HA ALA A 20 10.816 5.565 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.595 4.644 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.265 5.144 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.222 6.178 2.845 1.00 0.00 H new ATOM 41 N THR A 21 9.044 7.602 1.728 1.00 0.00 N ATOM 42 CA THR A 21 7.703 8.021 2.023 1.00 0.00 C ATOM 43 C THR A 21 7.081 8.781 0.862 1.00 0.00 C ATOM 44 O THR A 21 5.883 8.680 0.605 1.00 0.00 O ATOM 45 CB THR A 21 7.710 8.877 3.274 1.00 0.00 C ATOM 46 OG1 THR A 21 8.852 9.756 3.217 1.00 0.00 O ATOM 47 CG2 THR A 21 7.784 8.016 4.529 1.00 0.00 C ATOM 0 H THR A 21 9.767 8.152 2.191 1.00 0.00 H new ATOM 0 HA THR A 21 7.094 7.132 2.188 1.00 0.00 H new ATOM 0 HB THR A 21 6.785 9.453 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.872 10.319 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.787 8.657 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.920 7.352 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.697 7.422 4.509 1.00 0.00 H new ATOM 55 N GLN A 22 7.892 9.546 0.166 1.00 0.00 N ATOM 56 CA GLN A 22 7.438 10.281 -0.996 1.00 0.00 C ATOM 57 C GLN A 22 7.115 9.335 -2.130 1.00 0.00 C ATOM 58 O GLN A 22 6.155 9.546 -2.867 1.00 0.00 O ATOM 59 CB GLN A 22 8.454 11.331 -1.388 1.00 0.00 C ATOM 60 CG GLN A 22 8.585 12.426 -0.339 1.00 0.00 C ATOM 61 CD GLN A 22 9.790 13.313 -0.537 1.00 0.00 C ATOM 62 OE1 GLN A 22 10.351 13.841 0.438 1.00 0.00 O ATOM 63 NE2 GLN A 22 10.203 13.491 -1.758 1.00 0.00 N ATOM 0 H GLN A 22 8.879 9.677 0.387 1.00 0.00 H new ATOM 0 HA GLN A 22 6.515 10.806 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.424 10.857 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.165 11.776 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.685 13.041 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.641 11.967 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.715 13.040 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.014 14.081 -1.941 1.00 0.00 H new ATOM 72 N ARG A 23 7.902 8.280 -2.236 1.00 0.00 N ATOM 73 CA ARG A 23 7.690 7.233 -3.218 1.00 0.00 C ATOM 74 C ARG A 23 6.411 6.459 -2.904 1.00 0.00 C ATOM 75 O ARG A 23 5.700 6.034 -3.807 1.00 0.00 O ATOM 76 CB ARG A 23 8.898 6.280 -3.244 1.00 0.00 C ATOM 77 CG ARG A 23 8.820 5.099 -4.227 1.00 0.00 C ATOM 78 CD ARG A 23 8.808 5.523 -5.700 1.00 0.00 C ATOM 79 NE ARG A 23 7.554 6.172 -6.121 1.00 0.00 N ATOM 80 CZ ARG A 23 7.278 6.564 -7.367 1.00 0.00 C ATOM 81 NH1 ARG A 23 8.164 6.386 -8.344 1.00 0.00 N ATOM 82 NH2 ARG A 23 6.132 7.157 -7.628 1.00 0.00 N ATOM 0 H ARG A 23 8.713 8.125 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 23 7.583 7.692 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.788 6.863 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.038 5.879 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.670 4.438 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.920 4.522 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.638 6.207 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.979 4.645 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 23 6.844 6.334 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.063 5.947 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.944 6.689 -9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.458 7.316 -6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.918 7.458 -8.579 1.00 0.00 H new ATOM 96 N PHE A 24 6.111 6.294 -1.629 1.00 0.00 N ATOM 97 CA PHE A 24 4.926 5.566 -1.236 1.00 0.00 C ATOM 98 C PHE A 24 3.753 6.488 -0.973 1.00 0.00 C ATOM 99 O PHE A 24 2.724 6.065 -0.449 1.00 0.00 O ATOM 100 CB PHE A 24 5.193 4.604 -0.054 1.00 0.00 C ATOM 101 CG PHE A 24 6.001 3.360 -0.419 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.292 3.056 -1.753 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.443 2.479 0.564 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.995 1.924 -2.087 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.152 1.348 0.217 1.00 0.00 C ATOM 106 CZ PHE A 24 7.426 1.070 -1.103 1.00 0.00 C ATOM 0 H PHE A 24 6.670 6.653 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 24 4.648 4.941 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.722 5.148 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.237 4.291 0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.958 3.723 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.230 2.682 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.208 1.706 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.495 0.674 0.988 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.980 0.180 -1.364 1.00 0.00 H new ATOM 116 N HIS A 25 3.861 7.732 -1.413 1.00 0.00 N ATOM 117 CA HIS A 25 2.754 8.653 -1.255 1.00 0.00 C ATOM 118 C HIS A 25 1.648 8.273 -2.233 1.00 0.00 C ATOM 119 O HIS A 25 0.476 8.474 -1.965 1.00 0.00 O ATOM 120 CB HIS A 25 3.177 10.128 -1.445 1.00 0.00 C ATOM 121 CG HIS A 25 2.063 11.135 -1.176 1.00 0.00 C ATOM 122 ND1 HIS A 25 1.929 11.820 0.007 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.039 11.557 -1.954 1.00 0.00 C ATOM 124 CE1 HIS A 25 0.878 12.610 -0.057 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.321 12.470 -1.234 1.00 0.00 N ATOM 0 H HIS A 25 4.686 8.118 -1.872 1.00 0.00 H new ATOM 0 HA HIS A 25 2.388 8.572 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.015 10.343 -0.781 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.536 10.263 -2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.828 11.231 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.533 13.264 0.730 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.511 12.961 -1.560 1.00 0.00 H new ATOM 134 N GLU A 26 2.037 7.699 -3.346 1.00 0.00 N ATOM 135 CA GLU A 26 1.099 7.273 -4.370 1.00 0.00 C ATOM 136 C GLU A 26 0.173 6.188 -3.840 1.00 0.00 C ATOM 137 O GLU A 26 -1.032 6.209 -4.072 1.00 0.00 O ATOM 138 CB GLU A 26 1.824 6.813 -5.649 1.00 0.00 C ATOM 139 CG GLU A 26 2.493 7.936 -6.458 1.00 0.00 C ATOM 140 CD GLU A 26 3.567 8.682 -5.699 1.00 0.00 C ATOM 141 OE1 GLU A 26 4.713 8.238 -5.704 1.00 0.00 O ATOM 142 OE2 GLU A 26 3.268 9.726 -5.091 1.00 0.00 O ATOM 0 H GLU A 26 3.014 7.511 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 26 0.489 8.136 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.584 6.082 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.107 6.301 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.930 7.509 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.729 8.645 -6.778 1.00 0.00 H new ATOM 149 N ILE A 27 0.715 5.275 -3.085 1.00 0.00 N ATOM 150 CA ILE A 27 -0.104 4.242 -2.522 1.00 0.00 C ATOM 151 C ILE A 27 -0.883 4.773 -1.309 1.00 0.00 C ATOM 152 O ILE A 27 -2.027 4.398 -1.098 1.00 0.00 O ATOM 153 CB ILE A 27 0.682 2.924 -2.207 1.00 0.00 C ATOM 154 CG1 ILE A 27 -0.244 1.842 -1.617 1.00 0.00 C ATOM 155 CG2 ILE A 27 1.861 3.176 -1.294 1.00 0.00 C ATOM 156 CD1 ILE A 27 -1.396 1.453 -2.523 1.00 0.00 C ATOM 0 H ILE A 27 1.706 5.225 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.827 3.955 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 27 1.072 2.554 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.347 0.953 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.646 2.200 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.379 2.237 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.547 3.877 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.509 3.597 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.000 0.688 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.013 2.329 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.004 1.063 -3.462 1.00 0.00 H new ATOM 168 N GLU A 28 -0.282 5.680 -0.542 1.00 0.00 N ATOM 169 CA GLU A 28 -0.964 6.220 0.620 1.00 0.00 C ATOM 170 C GLU A 28 -2.187 7.061 0.182 1.00 0.00 C ATOM 171 O GLU A 28 -3.263 6.976 0.792 1.00 0.00 O ATOM 172 CB GLU A 28 0.033 6.976 1.567 1.00 0.00 C ATOM 173 CG GLU A 28 0.399 8.428 1.225 1.00 0.00 C ATOM 174 CD GLU A 28 -0.631 9.436 1.698 1.00 0.00 C ATOM 175 OE1 GLU A 28 -0.968 9.423 2.897 1.00 0.00 O ATOM 176 OE2 GLU A 28 -1.124 10.247 0.889 1.00 0.00 O ATOM 0 H GLU A 28 0.656 6.047 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.359 5.401 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.390 6.967 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.957 6.400 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.363 8.667 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.518 8.520 0.145 1.00 0.00 H new ATOM 183 N LYS A 29 -2.024 7.830 -0.906 1.00 0.00 N ATOM 184 CA LYS A 29 -3.121 8.635 -1.458 1.00 0.00 C ATOM 185 C LYS A 29 -4.205 7.710 -2.014 1.00 0.00 C ATOM 186 O LYS A 29 -5.403 7.971 -1.887 1.00 0.00 O ATOM 187 CB LYS A 29 -2.619 9.629 -2.553 1.00 0.00 C ATOM 188 CG LYS A 29 -2.217 8.990 -3.885 1.00 0.00 C ATOM 189 CD LYS A 29 -1.507 9.957 -4.833 1.00 0.00 C ATOM 190 CE LYS A 29 -2.355 11.175 -5.204 1.00 0.00 C ATOM 191 NZ LYS A 29 -3.605 10.806 -5.902 1.00 0.00 N ATOM 0 H LYS A 29 -1.146 7.910 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.541 9.238 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.404 10.361 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.762 10.176 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.564 8.140 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.109 8.600 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.581 10.296 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.231 9.425 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.599 11.732 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.771 11.840 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.109 11.669 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.378 10.239 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.208 10.250 -5.263 1.00 0.00 H new ATOM 205 N PHE A 30 -3.767 6.604 -2.595 1.00 0.00 N ATOM 206 CA PHE A 30 -4.663 5.628 -3.158 1.00 0.00 C ATOM 207 C PHE A 30 -5.456 4.950 -2.054 1.00 0.00 C ATOM 208 O PHE A 30 -6.623 4.653 -2.219 1.00 0.00 O ATOM 209 CB PHE A 30 -3.871 4.597 -3.914 1.00 0.00 C ATOM 210 CG PHE A 30 -4.708 3.671 -4.739 1.00 0.00 C ATOM 211 CD1 PHE A 30 -5.251 4.101 -5.935 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.953 2.378 -4.325 1.00 0.00 C ATOM 213 CE1 PHE A 30 -6.025 3.258 -6.697 1.00 0.00 C ATOM 214 CE2 PHE A 30 -5.725 1.536 -5.086 1.00 0.00 C ATOM 215 CZ PHE A 30 -6.262 1.975 -6.270 1.00 0.00 C ATOM 0 H PHE A 30 -2.779 6.365 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.354 6.128 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.160 5.106 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.289 4.009 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.065 5.109 -6.274 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.534 2.025 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.446 3.604 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.910 0.526 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.871 1.311 -6.866 1.00 0.00 H new ATOM 225 N LEU A 31 -4.806 4.714 -0.934 1.00 0.00 N ATOM 226 CA LEU A 31 -5.433 4.123 0.233 1.00 0.00 C ATOM 227 C LEU A 31 -6.553 5.046 0.727 1.00 0.00 C ATOM 228 O LEU A 31 -7.634 4.583 1.153 1.00 0.00 O ATOM 229 CB LEU A 31 -4.346 3.858 1.309 1.00 0.00 C ATOM 230 CG LEU A 31 -4.751 3.157 2.620 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.515 2.572 3.272 1.00 0.00 C ATOM 232 CD2 LEU A 31 -5.404 4.132 3.599 1.00 0.00 C ATOM 0 H LEU A 31 -3.817 4.929 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.892 3.164 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.561 3.261 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.902 4.818 1.572 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.471 2.376 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.794 2.074 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.055 1.850 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.805 3.370 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.677 3.603 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.703 4.931 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.299 4.558 3.146 1.00 0.00 H new ATOM 244 N LEU A 32 -6.314 6.348 0.633 1.00 0.00 N ATOM 245 CA LEU A 32 -7.326 7.331 0.993 1.00 0.00 C ATOM 246 C LEU A 32 -8.467 7.206 0.030 1.00 0.00 C ATOM 247 O LEU A 32 -9.649 7.197 0.415 1.00 0.00 O ATOM 248 CB LEU A 32 -6.787 8.750 0.919 1.00 0.00 C ATOM 249 CG LEU A 32 -5.494 8.992 1.645 1.00 0.00 C ATOM 250 CD1 LEU A 32 -5.028 10.423 1.443 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.617 8.660 3.124 1.00 0.00 C ATOM 0 H LEU A 32 -5.432 6.746 0.312 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.641 7.140 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.649 9.013 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.541 9.427 1.321 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.742 8.325 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.090 10.579 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.876 10.610 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.783 11.109 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.664 8.846 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.388 9.285 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.887 7.610 3.240 1.00 0.00 H new ATOM 263 N HIS A 33 -8.097 7.091 -1.228 1.00 0.00 N ATOM 264 CA HIS A 33 -9.063 6.903 -2.303 1.00 0.00 C ATOM 265 C HIS A 33 -9.880 5.628 -2.093 1.00 0.00 C ATOM 266 O HIS A 33 -11.054 5.636 -2.339 1.00 0.00 O ATOM 267 CB HIS A 33 -8.410 6.915 -3.713 1.00 0.00 C ATOM 268 CG HIS A 33 -9.409 6.763 -4.846 1.00 0.00 C ATOM 269 ND1 HIS A 33 -10.062 7.823 -5.414 1.00 0.00 N ATOM 270 CD2 HIS A 33 -9.893 5.658 -5.467 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.908 7.383 -6.323 1.00 0.00 C ATOM 272 NE2 HIS A 33 -10.826 6.073 -6.376 1.00 0.00 N ATOM 0 H HIS A 33 -7.126 7.124 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.737 7.759 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.864 7.849 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.680 6.108 -3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.596 4.637 -5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.561 7.998 -6.925 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.368 5.467 -6.992 1.00 0.00 H new ATOM 281 N ILE A 34 -9.248 4.556 -1.620 1.00 0.00 N ATOM 282 CA ILE A 34 -9.939 3.295 -1.348 1.00 0.00 C ATOM 283 C ILE A 34 -10.999 3.520 -0.274 1.00 0.00 C ATOM 284 O ILE A 34 -12.138 3.131 -0.445 1.00 0.00 O ATOM 285 CB ILE A 34 -8.936 2.165 -0.903 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.022 1.724 -2.061 1.00 0.00 C ATOM 287 CG2 ILE A 34 -9.646 0.959 -0.287 1.00 0.00 C ATOM 288 CD1 ILE A 34 -8.744 1.041 -3.199 1.00 0.00 C ATOM 0 H ILE A 34 -8.249 4.535 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.416 2.959 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.311 2.605 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.501 2.599 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.262 1.047 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.908 0.211 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.205 1.276 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.332 0.529 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.026 0.764 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.242 0.145 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.485 1.721 -3.620 1.00 0.00 H new ATOM 300 N THR A 35 -10.626 4.217 0.783 1.00 0.00 N ATOM 301 CA THR A 35 -11.551 4.517 1.867 1.00 0.00 C ATOM 302 C THR A 35 -12.720 5.393 1.352 1.00 0.00 C ATOM 303 O THR A 35 -13.875 5.155 1.656 1.00 0.00 O ATOM 304 CB THR A 35 -10.822 5.258 2.993 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.628 4.530 3.375 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.718 5.417 4.210 1.00 0.00 C ATOM 0 H THR A 35 -9.686 4.589 0.917 1.00 0.00 H new ATOM 0 HA THR A 35 -11.948 3.576 2.249 1.00 0.00 H new ATOM 0 HB THR A 35 -10.551 6.247 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.935 4.659 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.176 5.946 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.607 5.986 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.015 4.433 4.574 1.00 0.00 H new ATOM 314 N HIS A 36 -12.401 6.389 0.561 1.00 0.00 N ATOM 315 CA HIS A 36 -13.423 7.267 0.004 1.00 0.00 C ATOM 316 C HIS A 36 -14.273 6.580 -1.052 1.00 0.00 C ATOM 317 O HIS A 36 -15.431 6.924 -1.255 1.00 0.00 O ATOM 318 CB HIS A 36 -12.878 8.617 -0.423 1.00 0.00 C ATOM 319 CG HIS A 36 -12.355 9.395 0.749 1.00 0.00 C ATOM 320 ND1 HIS A 36 -13.016 9.449 1.965 1.00 0.00 N ATOM 321 CD2 HIS A 36 -11.210 10.092 0.919 1.00 0.00 C ATOM 322 CE1 HIS A 36 -12.299 10.148 2.821 1.00 0.00 C ATOM 323 NE2 HIS A 36 -11.199 10.548 2.213 1.00 0.00 N ATOM 0 H HIS A 36 -11.446 6.618 0.284 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.110 7.493 0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.080 8.474 -1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.664 9.188 -0.918 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -13.917 9.015 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.446 10.259 0.175 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.566 10.358 3.846 1.00 0.00 H new ATOM 332 N GLU A 37 -13.675 5.643 -1.750 1.00 0.00 N ATOM 333 CA GLU A 37 -14.352 4.810 -2.703 1.00 0.00 C ATOM 334 C GLU A 37 -15.392 3.980 -1.945 1.00 0.00 C ATOM 335 O GLU A 37 -16.465 3.709 -2.467 1.00 0.00 O ATOM 336 CB GLU A 37 -13.336 3.891 -3.388 1.00 0.00 C ATOM 337 CG GLU A 37 -13.793 3.291 -4.697 1.00 0.00 C ATOM 338 CD GLU A 37 -13.898 4.319 -5.796 1.00 0.00 C ATOM 339 OE1 GLU A 37 -14.952 4.981 -5.911 1.00 0.00 O ATOM 340 OE2 GLU A 37 -12.919 4.488 -6.559 1.00 0.00 O ATOM 0 H GLU A 37 -12.679 5.438 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.842 5.413 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.421 4.456 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.083 3.081 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.095 2.510 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.763 2.814 -4.556 1.00 0.00 H new ATOM 347 N VAL A 38 -15.063 3.628 -0.674 1.00 0.00 N ATOM 348 CA VAL A 38 -15.968 2.902 0.215 1.00 0.00 C ATOM 349 C VAL A 38 -17.157 3.762 0.431 1.00 0.00 C ATOM 350 O VAL A 38 -18.277 3.341 0.217 1.00 0.00 O ATOM 351 CB VAL A 38 -15.359 2.611 1.635 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.355 1.865 2.515 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.086 1.822 1.556 1.00 0.00 C ATOM 0 H VAL A 38 -14.161 3.846 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.188 1.945 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.135 3.582 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.908 1.677 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.255 2.468 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.616 0.916 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.704 1.646 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.280 0.866 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.348 2.379 0.980 1.00 0.00 H new ATOM 363 N ASP A 39 -16.880 5.002 0.797 1.00 0.00 N ATOM 364 CA ASP A 39 -17.901 5.990 1.084 1.00 0.00 C ATOM 365 C ASP A 39 -18.842 6.133 -0.087 1.00 0.00 C ATOM 366 O ASP A 39 -20.090 6.155 0.064 1.00 0.00 O ATOM 367 CB ASP A 39 -17.298 7.380 1.372 1.00 0.00 C ATOM 368 CG ASP A 39 -16.368 7.445 2.557 1.00 0.00 C ATOM 369 OD1 ASP A 39 -16.657 6.815 3.603 1.00 0.00 O ATOM 370 OD2 ASP A 39 -15.327 8.171 2.476 1.00 0.00 O ATOM 0 H ASP A 39 -15.928 5.353 0.904 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.431 5.637 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.756 7.713 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.113 8.086 1.531 1.00 0.00 H new ATOM 375 N ASP A 40 -18.250 6.153 -1.249 1.00 0.00 N ATOM 376 CA ASP A 40 -18.932 6.402 -2.448 1.00 0.00 C ATOM 377 C ASP A 40 -19.764 5.224 -2.830 1.00 0.00 C ATOM 378 O ASP A 40 -20.919 5.379 -3.132 1.00 0.00 O ATOM 379 CB ASP A 40 -17.954 6.784 -3.552 1.00 0.00 C ATOM 380 CG ASP A 40 -18.662 7.172 -4.821 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.089 8.336 -4.941 1.00 0.00 O ATOM 382 OD2 ASP A 40 -18.817 6.330 -5.708 1.00 0.00 O ATOM 0 H ASP A 40 -17.251 5.990 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.605 7.247 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.333 7.614 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.286 5.946 -3.751 1.00 0.00 H new ATOM 387 N LEU A 41 -19.205 4.045 -2.748 1.00 0.00 N ATOM 388 CA LEU A 41 -19.924 2.853 -3.111 1.00 0.00 C ATOM 389 C LEU A 41 -21.035 2.577 -2.111 1.00 0.00 C ATOM 390 O LEU A 41 -22.112 2.107 -2.468 1.00 0.00 O ATOM 391 CB LEU A 41 -18.976 1.648 -3.347 1.00 0.00 C ATOM 392 CG LEU A 41 -18.106 1.150 -2.185 1.00 0.00 C ATOM 393 CD1 LEU A 41 -18.885 0.295 -1.218 1.00 0.00 C ATOM 394 CD2 LEU A 41 -16.897 0.405 -2.694 1.00 0.00 C ATOM 0 H LEU A 41 -18.249 3.885 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.407 3.018 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.586 0.810 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.310 1.909 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.768 2.033 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.228 -0.034 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.708 0.875 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.283 -0.575 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.298 0.063 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.220 -0.455 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.298 1.067 -3.319 1.00 0.00 H new ATOM 406 N GLU A 42 -20.761 2.915 -0.861 1.00 0.00 N ATOM 407 CA GLU A 42 -21.660 2.697 0.244 1.00 0.00 C ATOM 408 C GLU A 42 -22.965 3.481 0.034 1.00 0.00 C ATOM 409 O GLU A 42 -24.058 2.961 0.273 1.00 0.00 O ATOM 410 CB GLU A 42 -20.996 3.149 1.541 1.00 0.00 C ATOM 411 CG GLU A 42 -21.358 2.324 2.751 1.00 0.00 C ATOM 412 CD GLU A 42 -20.764 0.928 2.695 1.00 0.00 C ATOM 413 OE1 GLU A 42 -21.349 0.032 2.072 1.00 0.00 O ATOM 414 OE2 GLU A 42 -19.690 0.699 3.281 1.00 0.00 O ATOM 0 H GLU A 42 -19.884 3.359 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 42 -21.893 1.634 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.914 3.122 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.268 4.187 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -21.008 2.830 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -22.443 2.252 2.828 1.00 0.00 H new ATOM 421 N LYS A 43 -22.846 4.727 -0.463 1.00 0.00 N ATOM 422 CA LYS A 43 -24.030 5.587 -0.686 1.00 0.00 C ATOM 423 C LYS A 43 -24.647 5.287 -2.053 1.00 0.00 C ATOM 424 O LYS A 43 -25.757 5.702 -2.381 1.00 0.00 O ATOM 425 CB LYS A 43 -23.648 7.095 -0.532 1.00 0.00 C ATOM 426 CG LYS A 43 -22.590 7.628 -1.516 1.00 0.00 C ATOM 427 CD LYS A 43 -23.174 7.992 -2.884 1.00 0.00 C ATOM 428 CE LYS A 43 -22.084 8.243 -3.917 1.00 0.00 C ATOM 429 NZ LYS A 43 -21.154 9.328 -3.546 1.00 0.00 N ATOM 0 H LYS A 43 -21.957 5.158 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.783 5.367 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.553 7.692 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.285 7.255 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.112 8.508 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.813 6.875 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.822 7.186 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.796 8.882 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.516 7.324 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.550 8.486 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.355 9.344 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.653 10.240 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.798 9.166 -2.582 1.00 0.00 H new ATOM 443 N THR A 44 -23.892 4.580 -2.821 1.00 0.00 N ATOM 444 CA THR A 44 -24.229 4.182 -4.145 1.00 0.00 C ATOM 445 C THR A 44 -25.100 2.907 -4.137 1.00 0.00 C ATOM 446 O THR A 44 -25.999 2.745 -4.960 1.00 0.00 O ATOM 447 CB THR A 44 -22.904 4.041 -4.909 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.418 5.327 -5.302 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.912 3.106 -6.056 1.00 0.00 C ATOM 0 H THR A 44 -22.974 4.246 -2.527 1.00 0.00 H new ATOM 0 HA THR A 44 -24.849 4.921 -4.653 1.00 0.00 H new ATOM 0 HB THR A 44 -22.222 3.577 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.558 5.500 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.925 3.088 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.168 2.105 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.649 3.435 -6.788 1.00 0.00 H new ATOM 457 N GLY A 45 -24.864 2.045 -3.194 1.00 0.00 N ATOM 458 CA GLY A 45 -25.679 0.866 -3.071 1.00 0.00 C ATOM 459 C GLY A 45 -24.880 -0.284 -2.597 1.00 0.00 C ATOM 460 O GLY A 45 -25.301 -1.008 -1.691 1.00 0.00 O ATOM 0 H GLY A 45 -24.120 2.131 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.497 1.056 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.129 0.628 -4.035 1.00 0.00 H new ATOM 464 N ASN A 46 -23.718 -0.451 -3.207 1.00 0.00 N ATOM 465 CA ASN A 46 -22.772 -1.489 -2.856 1.00 0.00 C ATOM 466 C ASN A 46 -23.319 -2.875 -3.196 1.00 0.00 C ATOM 467 O ASN A 46 -23.648 -3.684 -2.314 1.00 0.00 O ATOM 468 CB ASN A 46 -22.324 -1.381 -1.379 1.00 0.00 C ATOM 469 CG ASN A 46 -21.416 -2.501 -0.982 1.00 0.00 C ATOM 470 OD1 ASN A 46 -20.695 -3.031 -1.815 1.00 0.00 O ATOM 471 ND2 ASN A 46 -21.454 -2.882 0.268 1.00 0.00 N ATOM 0 H ASN A 46 -23.403 0.144 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.878 -1.340 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.815 -0.430 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.202 -1.381 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.865 -3.653 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.072 -2.409 0.927 1.00 0.00 H new ATOM 478 N LYS A 47 -23.584 -3.084 -4.460 1.00 0.00 N ATOM 479 CA LYS A 47 -24.008 -4.388 -4.892 1.00 0.00 C ATOM 480 C LYS A 47 -22.856 -5.391 -4.860 1.00 0.00 C ATOM 481 O LYS A 47 -22.959 -6.457 -4.256 1.00 0.00 O ATOM 482 CB LYS A 47 -24.735 -4.359 -6.239 1.00 0.00 C ATOM 483 CG LYS A 47 -25.191 -5.729 -6.701 1.00 0.00 C ATOM 484 CD LYS A 47 -25.982 -5.675 -7.986 1.00 0.00 C ATOM 485 CE LYS A 47 -26.357 -7.073 -8.453 1.00 0.00 C ATOM 486 NZ LYS A 47 -27.135 -7.829 -7.438 1.00 0.00 N ATOM 0 H LYS A 47 -23.515 -2.381 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.749 -4.736 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.601 -3.701 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.074 -3.930 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.320 -6.369 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.801 -6.187 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.885 -5.083 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -25.396 -5.175 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -26.940 -7.000 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -25.449 -7.626 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.522 -8.693 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -26.513 -8.087 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -27.916 -7.238 -7.088 1.00 0.00 H new ATOM 500 N ASP A 48 -21.739 -5.010 -5.463 1.00 0.00 N ATOM 501 CA ASP A 48 -20.545 -5.873 -5.510 1.00 0.00 C ATOM 502 C ASP A 48 -19.326 -5.017 -5.297 1.00 0.00 C ATOM 503 O ASP A 48 -18.196 -5.505 -5.275 1.00 0.00 O ATOM 504 CB ASP A 48 -20.356 -6.560 -6.887 1.00 0.00 C ATOM 505 CG ASP A 48 -21.531 -7.348 -7.411 1.00 0.00 C ATOM 506 OD1 ASP A 48 -21.773 -8.489 -6.961 1.00 0.00 O ATOM 507 OD2 ASP A 48 -22.196 -6.857 -8.352 1.00 0.00 O ATOM 0 H ASP A 48 -21.625 -4.110 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.676 -6.636 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.105 -5.793 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -19.498 -7.229 -6.820 1.00 0.00 H new ATOM 512 N GLU A 49 -19.567 -3.739 -5.128 1.00 0.00 N ATOM 513 CA GLU A 49 -18.532 -2.734 -5.073 1.00 0.00 C ATOM 514 C GLU A 49 -17.631 -2.922 -3.888 1.00 0.00 C ATOM 515 O GLU A 49 -16.448 -2.705 -3.996 1.00 0.00 O ATOM 516 CB GLU A 49 -19.116 -1.311 -5.093 1.00 0.00 C ATOM 517 CG GLU A 49 -19.905 -0.909 -6.351 1.00 0.00 C ATOM 518 CD GLU A 49 -21.216 -1.641 -6.516 1.00 0.00 C ATOM 519 OE1 GLU A 49 -22.218 -1.222 -5.923 1.00 0.00 O ATOM 520 OE2 GLU A 49 -21.256 -2.672 -7.219 1.00 0.00 O ATOM 0 H GLU A 49 -20.508 -3.360 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.928 -2.860 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.772 -1.199 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.296 -0.604 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.101 0.163 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.286 -1.092 -7.229 1.00 0.00 H new ATOM 527 N LYS A 50 -18.190 -3.334 -2.772 1.00 0.00 N ATOM 528 CA LYS A 50 -17.412 -3.554 -1.559 1.00 0.00 C ATOM 529 C LYS A 50 -16.399 -4.638 -1.804 1.00 0.00 C ATOM 530 O LYS A 50 -15.211 -4.462 -1.562 1.00 0.00 O ATOM 531 CB LYS A 50 -18.335 -3.985 -0.420 1.00 0.00 C ATOM 532 CG LYS A 50 -17.713 -3.982 0.958 1.00 0.00 C ATOM 533 CD LYS A 50 -17.279 -2.602 1.346 1.00 0.00 C ATOM 534 CE LYS A 50 -18.423 -1.624 1.522 1.00 0.00 C ATOM 535 NZ LYS A 50 -19.276 -1.926 2.676 1.00 0.00 N ATOM 0 H LYS A 50 -19.187 -3.526 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.907 -2.627 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.203 -3.325 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.701 -4.990 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.431 -4.360 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.856 -4.655 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.715 -2.658 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.600 -2.218 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.017 -0.618 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.033 -1.624 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.234 -1.561 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.318 -2.956 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.881 -1.476 3.527 1.00 0.00 H new ATOM 549 N ALA A 51 -16.884 -5.719 -2.344 1.00 0.00 N ATOM 550 CA ALA A 51 -16.056 -6.862 -2.664 1.00 0.00 C ATOM 551 C ALA A 51 -15.022 -6.479 -3.704 1.00 0.00 C ATOM 552 O ALA A 51 -13.845 -6.773 -3.550 1.00 0.00 O ATOM 553 CB ALA A 51 -16.914 -8.015 -3.158 1.00 0.00 C ATOM 0 H ALA A 51 -17.869 -5.840 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.537 -7.186 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.277 -8.867 -3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.625 -8.298 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.456 -7.708 -4.052 1.00 0.00 H new ATOM 559 N ARG A 52 -15.460 -5.758 -4.723 1.00 0.00 N ATOM 560 CA ARG A 52 -14.573 -5.272 -5.771 1.00 0.00 C ATOM 561 C ARG A 52 -13.493 -4.375 -5.197 1.00 0.00 C ATOM 562 O ARG A 52 -12.317 -4.537 -5.511 1.00 0.00 O ATOM 563 CB ARG A 52 -15.360 -4.537 -6.886 1.00 0.00 C ATOM 564 CG ARG A 52 -14.488 -3.681 -7.813 1.00 0.00 C ATOM 565 CD ARG A 52 -13.466 -4.495 -8.593 1.00 0.00 C ATOM 566 NE ARG A 52 -12.360 -3.637 -9.054 1.00 0.00 N ATOM 567 CZ ARG A 52 -11.743 -3.714 -10.230 1.00 0.00 C ATOM 568 NH1 ARG A 52 -12.189 -4.541 -11.170 1.00 0.00 N ATOM 569 NH2 ARG A 52 -10.680 -2.946 -10.465 1.00 0.00 N ATOM 0 H ARG A 52 -16.437 -5.493 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.093 -6.141 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.892 -5.275 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.113 -3.899 -6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.129 -3.147 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.968 -2.929 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.075 -5.295 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.947 -4.968 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.037 -2.915 -8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.009 -5.121 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.712 -4.595 -12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.345 -2.305 -9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.201 -2.999 -11.364 1.00 0.00 H new ATOM 583 N LEU A 53 -13.883 -3.456 -4.364 1.00 0.00 N ATOM 584 CA LEU A 53 -12.979 -2.544 -3.786 1.00 0.00 C ATOM 585 C LEU A 53 -11.972 -3.242 -2.865 1.00 0.00 C ATOM 586 O LEU A 53 -10.789 -2.898 -2.837 1.00 0.00 O ATOM 587 CB LEU A 53 -13.736 -1.519 -3.015 1.00 0.00 C ATOM 588 CG LEU A 53 -12.864 -0.588 -2.285 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.156 0.355 -3.242 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.597 0.133 -1.220 1.00 0.00 C ATOM 0 H LEU A 53 -14.852 -3.328 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.417 -2.072 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.370 -0.954 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.397 -2.020 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.095 -1.174 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.517 1.034 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.547 -0.222 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.895 0.931 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.916 0.811 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.413 0.705 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.003 -0.585 -0.507 1.00 0.00 H new ATOM 602 N LEU A 54 -12.425 -4.205 -2.126 1.00 0.00 N ATOM 603 CA LEU A 54 -11.544 -4.908 -1.245 1.00 0.00 C ATOM 604 C LEU A 54 -10.568 -5.767 -2.024 1.00 0.00 C ATOM 605 O LEU A 54 -9.398 -5.910 -1.653 1.00 0.00 O ATOM 606 CB LEU A 54 -12.313 -5.661 -0.177 1.00 0.00 C ATOM 607 CG LEU A 54 -13.169 -4.749 0.715 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.859 -5.520 1.805 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.343 -3.601 1.285 1.00 0.00 C ATOM 0 H LEU A 54 -13.394 -4.522 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.936 -4.182 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.958 -6.398 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.609 -6.211 0.448 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.947 -4.319 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.454 -4.838 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.511 -6.273 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.114 -6.009 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.976 -2.973 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.525 -4.003 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.936 -3.005 0.468 1.00 0.00 H new ATOM 621 N ARG A 55 -11.025 -6.293 -3.135 1.00 0.00 N ATOM 622 CA ARG A 55 -10.149 -7.058 -4.019 1.00 0.00 C ATOM 623 C ARG A 55 -9.150 -6.108 -4.682 1.00 0.00 C ATOM 624 O ARG A 55 -7.996 -6.459 -4.910 1.00 0.00 O ATOM 625 CB ARG A 55 -10.946 -7.849 -5.056 1.00 0.00 C ATOM 626 CG ARG A 55 -11.886 -8.868 -4.435 1.00 0.00 C ATOM 627 CD ARG A 55 -12.724 -9.566 -5.480 1.00 0.00 C ATOM 628 NE ARG A 55 -13.802 -10.367 -4.875 1.00 0.00 N ATOM 629 CZ ARG A 55 -14.705 -11.078 -5.568 1.00 0.00 C ATOM 630 NH1 ARG A 55 -14.615 -11.163 -6.893 1.00 0.00 N ATOM 631 NH2 ARG A 55 -15.684 -11.703 -4.932 1.00 0.00 N ATOM 0 H ARG A 55 -11.990 -6.212 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.602 -7.791 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.524 -7.156 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.254 -8.362 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.307 -9.606 -3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.539 -8.371 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.156 -8.825 -6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.087 -10.212 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.867 -10.382 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.858 -10.687 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.303 -11.704 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.752 -11.644 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.371 -12.243 -5.458 1.00 0.00 H new ATOM 645 N GLU A 56 -9.599 -4.876 -4.907 1.00 0.00 N ATOM 646 CA GLU A 56 -8.799 -3.805 -5.473 1.00 0.00 C ATOM 647 C GLU A 56 -7.622 -3.504 -4.534 1.00 0.00 C ATOM 648 O GLU A 56 -6.477 -3.367 -4.973 1.00 0.00 O ATOM 649 CB GLU A 56 -9.676 -2.555 -5.603 1.00 0.00 C ATOM 650 CG GLU A 56 -9.034 -1.380 -6.285 1.00 0.00 C ATOM 651 CD GLU A 56 -8.897 -1.599 -7.769 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.861 -1.300 -8.512 1.00 0.00 O ATOM 653 OE2 GLU A 56 -7.833 -2.057 -8.233 1.00 0.00 O ATOM 0 H GLU A 56 -10.555 -4.592 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.418 -4.097 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.579 -2.822 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.989 -2.247 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.629 -0.485 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.050 -1.202 -5.852 1.00 0.00 H new ATOM 660 N LEU A 57 -7.903 -3.443 -3.230 1.00 0.00 N ATOM 661 CA LEU A 57 -6.863 -3.188 -2.257 1.00 0.00 C ATOM 662 C LEU A 57 -5.956 -4.382 -2.123 1.00 0.00 C ATOM 663 O LEU A 57 -4.791 -4.245 -1.824 1.00 0.00 O ATOM 664 CB LEU A 57 -7.365 -2.625 -0.897 1.00 0.00 C ATOM 665 CG LEU A 57 -8.273 -3.476 0.011 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.511 -4.600 0.712 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.948 -2.587 1.032 1.00 0.00 C ATOM 0 H LEU A 57 -8.836 -3.567 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.268 -2.365 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.484 -2.359 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.899 -1.698 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.022 -3.948 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.197 -5.169 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.069 -5.260 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.722 -4.173 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.590 -3.191 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.191 -2.091 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.550 -1.837 0.520 1.00 0.00 H new ATOM 679 N THR A 58 -6.512 -5.554 -2.347 1.00 0.00 N ATOM 680 CA THR A 58 -5.743 -6.776 -2.341 1.00 0.00 C ATOM 681 C THR A 58 -4.683 -6.722 -3.490 1.00 0.00 C ATOM 682 O THR A 58 -3.512 -7.117 -3.333 1.00 0.00 O ATOM 683 CB THR A 58 -6.687 -7.995 -2.482 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.666 -7.953 -1.418 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.928 -9.303 -2.398 1.00 0.00 C ATOM 0 H THR A 58 -7.506 -5.684 -2.537 1.00 0.00 H new ATOM 0 HA THR A 58 -5.213 -6.883 -1.395 1.00 0.00 H new ATOM 0 HB THR A 58 -7.168 -7.943 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.358 -7.295 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.624 -10.135 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.189 -9.347 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.423 -9.370 -1.434 1.00 0.00 H new ATOM 693 N VAL A 59 -5.091 -6.181 -4.617 1.00 0.00 N ATOM 694 CA VAL A 59 -4.176 -5.940 -5.716 1.00 0.00 C ATOM 695 C VAL A 59 -3.184 -4.847 -5.300 1.00 0.00 C ATOM 696 O VAL A 59 -1.996 -4.919 -5.595 1.00 0.00 O ATOM 697 CB VAL A 59 -4.927 -5.524 -7.017 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.955 -5.259 -8.164 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.920 -6.601 -7.419 1.00 0.00 C ATOM 0 H VAL A 59 -6.054 -5.898 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.646 -6.866 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.463 -4.598 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.513 -4.971 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.275 -4.454 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.382 -6.163 -8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.437 -6.297 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.390 -7.536 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.646 -6.743 -6.619 1.00 0.00 H new ATOM 709 N SER A 60 -3.690 -3.864 -4.580 1.00 0.00 N ATOM 710 CA SER A 60 -2.897 -2.744 -4.108 1.00 0.00 C ATOM 711 C SER A 60 -1.770 -3.175 -3.172 1.00 0.00 C ATOM 712 O SER A 60 -0.606 -2.772 -3.352 1.00 0.00 O ATOM 713 CB SER A 60 -3.790 -1.682 -3.479 1.00 0.00 C ATOM 714 OG SER A 60 -4.809 -1.294 -4.394 1.00 0.00 O ATOM 0 H SER A 60 -4.671 -3.820 -4.304 1.00 0.00 H new ATOM 0 HA SER A 60 -2.408 -2.302 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.240 -2.069 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.193 -0.814 -3.198 1.00 0.00 H new ATOM 0 HG SER A 60 -5.426 -2.042 -4.533 1.00 0.00 H new ATOM 720 N GLU A 61 -2.100 -4.016 -2.221 1.00 0.00 N ATOM 721 CA GLU A 61 -1.115 -4.543 -1.288 1.00 0.00 C ATOM 722 C GLU A 61 -0.102 -5.389 -2.058 1.00 0.00 C ATOM 723 O GLU A 61 1.079 -5.430 -1.718 1.00 0.00 O ATOM 724 CB GLU A 61 -1.762 -5.364 -0.132 1.00 0.00 C ATOM 725 CG GLU A 61 -2.398 -6.676 -0.558 1.00 0.00 C ATOM 726 CD GLU A 61 -3.011 -7.465 0.577 1.00 0.00 C ATOM 727 OE1 GLU A 61 -2.279 -8.202 1.286 1.00 0.00 O ATOM 728 OE2 GLU A 61 -4.235 -7.439 0.735 1.00 0.00 O ATOM 0 H GLU A 61 -3.049 -4.356 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.612 -3.700 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.998 -5.573 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.521 -4.749 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.169 -6.469 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.643 -7.291 -1.047 1.00 0.00 H new ATOM 735 N ALA A 62 -0.572 -6.014 -3.140 1.00 0.00 N ATOM 736 CA ALA A 62 0.282 -6.834 -3.965 1.00 0.00 C ATOM 737 C ALA A 62 1.356 -6.028 -4.682 1.00 0.00 C ATOM 738 O ALA A 62 2.528 -6.420 -4.669 1.00 0.00 O ATOM 739 CB ALA A 62 -0.518 -7.687 -4.935 1.00 0.00 C ATOM 0 H ALA A 62 -1.541 -5.960 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 62 0.803 -7.510 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.163 -8.289 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.186 -8.343 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.106 -7.042 -5.588 1.00 0.00 H new ATOM 745 N PHE A 63 1.002 -4.891 -5.277 1.00 0.00 N ATOM 746 CA PHE A 63 2.032 -4.135 -5.992 1.00 0.00 C ATOM 747 C PHE A 63 2.939 -3.378 -5.053 1.00 0.00 C ATOM 748 O PHE A 63 4.110 -3.184 -5.343 1.00 0.00 O ATOM 749 CB PHE A 63 1.534 -3.289 -7.185 1.00 0.00 C ATOM 750 CG PHE A 63 0.387 -2.408 -6.893 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.537 -1.285 -6.110 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.852 -2.717 -7.392 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.537 -0.503 -5.818 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.925 -1.931 -7.117 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.768 -0.829 -6.325 1.00 0.00 C ATOM 0 H PHE A 63 0.065 -4.488 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 63 2.641 -4.898 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.360 -2.676 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.258 -3.962 -7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.512 -1.024 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.976 -3.594 -8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.421 0.369 -5.191 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.896 -2.176 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.622 -0.209 -6.096 1.00 0.00 H new ATOM 765 N ILE A 64 2.396 -2.948 -3.921 1.00 0.00 N ATOM 766 CA ILE A 64 3.193 -2.265 -2.926 1.00 0.00 C ATOM 767 C ILE A 64 4.215 -3.276 -2.346 1.00 0.00 C ATOM 768 O ILE A 64 5.348 -2.934 -2.017 1.00 0.00 O ATOM 769 CB ILE A 64 2.298 -1.557 -1.830 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.998 -0.317 -1.230 1.00 0.00 C ATOM 771 CG2 ILE A 64 1.868 -2.507 -0.715 1.00 0.00 C ATOM 772 CD1 ILE A 64 4.191 -0.584 -0.334 1.00 0.00 C ATOM 0 H ILE A 64 1.413 -3.062 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 64 3.747 -1.446 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 64 1.398 -1.231 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.324 0.322 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.261 0.248 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.257 -1.967 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.289 -3.327 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.751 -2.906 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.596 0.362 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.879 -1.191 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.958 -1.116 -0.898 1.00 0.00 H new ATOM 784 N GLU A 65 3.810 -4.532 -2.249 1.00 0.00 N ATOM 785 CA GLU A 65 4.712 -5.569 -1.836 1.00 0.00 C ATOM 786 C GLU A 65 5.785 -5.777 -2.918 1.00 0.00 C ATOM 787 O GLU A 65 6.945 -6.057 -2.612 1.00 0.00 O ATOM 788 CB GLU A 65 3.958 -6.860 -1.576 1.00 0.00 C ATOM 789 CG GLU A 65 4.842 -7.959 -1.061 1.00 0.00 C ATOM 790 CD GLU A 65 4.111 -9.231 -0.838 1.00 0.00 C ATOM 791 OE1 GLU A 65 3.481 -9.374 0.212 1.00 0.00 O ATOM 792 OE2 GLU A 65 4.204 -10.139 -1.689 1.00 0.00 O ATOM 0 H GLU A 65 2.862 -4.847 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 65 5.197 -5.270 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.163 -6.672 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.480 -7.188 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.651 -8.130 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.301 -7.641 -0.125 1.00 0.00 H new ATOM 799 N GLY A 66 5.385 -5.607 -4.164 1.00 0.00 N ATOM 800 CA GLY A 66 6.293 -5.724 -5.286 1.00 0.00 C ATOM 801 C GLY A 66 7.337 -4.628 -5.292 1.00 0.00 C ATOM 802 O GLY A 66 8.518 -4.896 -5.518 1.00 0.00 O ATOM 0 H GLY A 66 4.424 -5.385 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.788 -6.695 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.726 -5.688 -6.216 1.00 0.00 H new ATOM 806 N SER A 67 6.924 -3.406 -5.002 1.00 0.00 N ATOM 807 CA SER A 67 7.838 -2.297 -4.968 1.00 0.00 C ATOM 808 C SER A 67 8.765 -2.441 -3.775 1.00 0.00 C ATOM 809 O SER A 67 9.940 -2.079 -3.836 1.00 0.00 O ATOM 810 CB SER A 67 7.074 -0.971 -4.962 1.00 0.00 C ATOM 811 OG SER A 67 6.078 -0.961 -3.956 1.00 0.00 O ATOM 0 H SER A 67 5.956 -3.165 -4.787 1.00 0.00 H new ATOM 0 HA SER A 67 8.453 -2.297 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.769 -0.148 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.613 -0.809 -5.936 1.00 0.00 H new ATOM 0 HG SER A 67 6.172 -1.759 -3.395 1.00 0.00 H new ATOM 817 N ARG A 68 8.249 -3.028 -2.695 1.00 0.00 N ATOM 818 CA ARG A 68 9.091 -3.311 -1.552 1.00 0.00 C ATOM 819 C ARG A 68 10.089 -4.370 -1.902 1.00 0.00 C ATOM 820 O ARG A 68 11.261 -4.266 -1.556 1.00 0.00 O ATOM 821 CB ARG A 68 8.332 -3.718 -0.297 1.00 0.00 C ATOM 822 CG ARG A 68 7.436 -2.663 0.315 1.00 0.00 C ATOM 823 CD ARG A 68 6.854 -3.168 1.629 1.00 0.00 C ATOM 824 NE ARG A 68 6.110 -4.428 1.470 1.00 0.00 N ATOM 825 CZ ARG A 68 6.082 -5.426 2.391 1.00 0.00 C ATOM 826 NH1 ARG A 68 6.783 -5.323 3.516 1.00 0.00 N ATOM 827 NH2 ARG A 68 5.361 -6.528 2.175 1.00 0.00 N ATOM 0 H ARG A 68 7.273 -3.308 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 68 9.589 -2.372 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.722 -4.590 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.056 -4.030 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.003 -1.748 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.631 -2.413 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.661 -3.315 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.191 -2.409 2.045 1.00 0.00 H new ATOM 0 HE ARG A 68 5.579 -4.561 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.346 -4.491 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.758 -6.076 4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.825 -6.626 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.346 -7.272 2.872 1.00 0.00 H new ATOM 841 N GLY A 69 9.622 -5.363 -2.625 1.00 0.00 N ATOM 842 CA GLY A 69 10.469 -6.418 -3.091 1.00 0.00 C ATOM 843 C GLY A 69 11.543 -5.886 -3.996 1.00 0.00 C ATOM 844 O GLY A 69 12.631 -6.429 -4.049 1.00 0.00 O ATOM 0 H GLY A 69 8.645 -5.455 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.924 -6.926 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.873 -7.159 -3.624 1.00 0.00 H new ATOM 848 N TYR A 70 11.250 -4.761 -4.647 1.00 0.00 N ATOM 849 CA TYR A 70 12.190 -4.144 -5.553 1.00 0.00 C ATOM 850 C TYR A 70 13.321 -3.572 -4.739 1.00 0.00 C ATOM 851 O TYR A 70 14.493 -3.785 -5.039 1.00 0.00 O ATOM 852 CB TYR A 70 11.517 -3.049 -6.402 1.00 0.00 C ATOM 853 CG TYR A 70 12.473 -2.340 -7.334 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.810 -2.891 -8.559 1.00 0.00 C ATOM 855 CD2 TYR A 70 13.060 -1.127 -6.974 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.704 -2.266 -9.396 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.947 -0.495 -7.811 1.00 0.00 C ATOM 858 CZ TYR A 70 14.267 -1.068 -9.019 1.00 0.00 C ATOM 859 OH TYR A 70 15.183 -0.457 -9.842 1.00 0.00 O ATOM 0 H TYR A 70 10.364 -4.265 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 70 12.570 -4.892 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.714 -3.496 -6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.057 -2.316 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.363 -3.827 -8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.813 -0.678 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.963 -2.713 -10.344 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.390 0.446 -7.522 1.00 0.00 H new ATOM 0 HH TYR A 70 16.071 -0.499 -9.431 1.00 0.00 H new ATOM 869 N PHE A 71 12.951 -2.882 -3.677 1.00 0.00 N ATOM 870 CA PHE A 71 13.904 -2.307 -2.758 1.00 0.00 C ATOM 871 C PHE A 71 14.767 -3.386 -2.135 1.00 0.00 C ATOM 872 O PHE A 71 15.969 -3.220 -1.987 1.00 0.00 O ATOM 873 CB PHE A 71 13.219 -1.446 -1.691 1.00 0.00 C ATOM 874 CG PHE A 71 12.567 -0.213 -2.250 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.279 0.641 -3.084 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.258 0.102 -1.943 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.696 1.774 -3.602 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.670 1.240 -2.461 1.00 0.00 C ATOM 879 CZ PHE A 71 11.390 2.074 -3.292 1.00 0.00 C ATOM 0 H PHE A 71 11.977 -2.706 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 71 14.555 -1.643 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.467 -2.046 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.956 -1.152 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.305 0.412 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.689 -0.546 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.262 2.426 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.645 1.477 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.928 2.962 -3.699 1.00 0.00 H new ATOM 889 N GLN A 72 14.141 -4.503 -1.813 1.00 0.00 N ATOM 890 CA GLN A 72 14.820 -5.649 -1.253 1.00 0.00 C ATOM 891 C GLN A 72 15.871 -6.191 -2.240 1.00 0.00 C ATOM 892 O GLN A 72 16.932 -6.644 -1.836 1.00 0.00 O ATOM 893 CB GLN A 72 13.794 -6.724 -0.887 1.00 0.00 C ATOM 894 CG GLN A 72 12.820 -6.298 0.219 1.00 0.00 C ATOM 895 CD GLN A 72 11.659 -7.271 0.435 1.00 0.00 C ATOM 896 OE1 GLN A 72 10.564 -6.880 0.844 1.00 0.00 O ATOM 897 NE2 GLN A 72 11.877 -8.522 0.160 1.00 0.00 N ATOM 0 H GLN A 72 13.137 -4.638 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 72 15.346 -5.349 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.225 -6.988 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.321 -7.623 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.371 -6.193 1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.416 -5.315 -0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.793 -8.818 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.132 -9.208 0.281 1.00 0.00 H new ATOM 906 N ARG A 73 15.563 -6.150 -3.541 1.00 0.00 N ATOM 907 CA ARG A 73 16.528 -6.585 -4.567 1.00 0.00 C ATOM 908 C ARG A 73 17.673 -5.584 -4.685 1.00 0.00 C ATOM 909 O ARG A 73 18.833 -5.964 -4.842 1.00 0.00 O ATOM 910 CB ARG A 73 15.901 -6.807 -5.963 1.00 0.00 C ATOM 911 CG ARG A 73 14.594 -7.597 -6.004 1.00 0.00 C ATOM 912 CD ARG A 73 14.600 -8.841 -5.119 1.00 0.00 C ATOM 913 NE ARG A 73 15.629 -9.832 -5.471 1.00 0.00 N ATOM 914 CZ ARG A 73 15.748 -11.038 -4.886 1.00 0.00 C ATOM 915 NH1 ARG A 73 14.877 -11.421 -3.949 1.00 0.00 N ATOM 916 NH2 ARG A 73 16.714 -11.859 -5.245 1.00 0.00 N ATOM 0 H ARG A 73 14.668 -5.826 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 73 16.899 -7.552 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.725 -5.832 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.631 -7.322 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 73 13.776 -6.946 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 73 14.392 -7.895 -7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.747 -8.535 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.621 -9.316 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 73 16.294 -9.589 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.117 -10.798 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.971 -12.336 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 73 17.376 -11.582 -5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.800 -12.772 -4.798 1.00 0.00 H new ATOM 930 N GLU A 74 17.338 -4.309 -4.609 1.00 0.00 N ATOM 931 CA GLU A 74 18.322 -3.232 -4.716 1.00 0.00 C ATOM 932 C GLU A 74 19.250 -3.231 -3.506 1.00 0.00 C ATOM 933 O GLU A 74 20.415 -2.876 -3.608 1.00 0.00 O ATOM 934 CB GLU A 74 17.631 -1.880 -4.892 1.00 0.00 C ATOM 935 CG GLU A 74 16.739 -1.797 -6.131 1.00 0.00 C ATOM 936 CD GLU A 74 17.489 -1.853 -7.453 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.150 -2.871 -7.763 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.439 -0.871 -8.215 1.00 0.00 O ATOM 0 H GLU A 74 16.381 -3.985 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 74 18.931 -3.408 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.028 -1.673 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.390 -1.100 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.020 -2.615 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.168 -0.869 -6.091 1.00 0.00 H new ATOM 945 N LEU A 75 18.717 -3.677 -2.378 1.00 0.00 N ATOM 946 CA LEU A 75 19.450 -3.833 -1.109 1.00 0.00 C ATOM 947 C LEU A 75 20.591 -4.829 -1.305 1.00 0.00 C ATOM 948 O LEU A 75 21.615 -4.792 -0.618 1.00 0.00 O ATOM 949 CB LEU A 75 18.434 -4.341 -0.042 1.00 0.00 C ATOM 950 CG LEU A 75 18.779 -4.242 1.466 1.00 0.00 C ATOM 951 CD1 LEU A 75 17.532 -4.527 2.275 1.00 0.00 C ATOM 952 CD2 LEU A 75 19.866 -5.219 1.886 1.00 0.00 C ATOM 0 H LEU A 75 17.737 -3.950 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 75 19.885 -2.889 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.502 -3.798 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.232 -5.390 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 75 19.153 -3.234 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 75 17.765 -4.460 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.762 -3.797 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.171 -5.529 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 75 20.066 -5.105 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.536 -6.238 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 75 20.776 -5.015 1.322 1.00 0.00 H new ATOM 964 N LYS A 76 20.426 -5.674 -2.288 1.00 0.00 N ATOM 965 CA LYS A 76 21.369 -6.716 -2.566 1.00 0.00 C ATOM 966 C LYS A 76 22.476 -6.222 -3.499 1.00 0.00 C ATOM 967 O LYS A 76 23.431 -6.960 -3.772 1.00 0.00 O ATOM 968 CB LYS A 76 20.653 -7.938 -3.142 1.00 0.00 C ATOM 969 CG LYS A 76 19.579 -8.493 -2.223 1.00 0.00 C ATOM 970 CD LYS A 76 18.808 -9.622 -2.878 1.00 0.00 C ATOM 971 CE LYS A 76 17.693 -10.138 -1.976 1.00 0.00 C ATOM 972 NZ LYS A 76 18.210 -10.736 -0.734 1.00 0.00 N ATOM 0 H LYS A 76 19.626 -5.655 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 76 21.844 -7.012 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.201 -7.669 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.387 -8.718 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.038 -8.852 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.890 -7.695 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.383 -9.275 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.490 -10.438 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.020 -9.317 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.106 -10.880 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.434 -11.207 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.946 -11.433 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.616 -9.991 -0.133 1.00 0.00 H new ATOM 986 N ARG A 77 22.341 -4.986 -4.014 1.00 0.00 N ATOM 987 CA ARG A 77 23.370 -4.412 -4.889 1.00 0.00 C ATOM 988 C ARG A 77 24.634 -4.156 -4.100 1.00 0.00 C ATOM 989 O ARG A 77 25.714 -4.593 -4.491 1.00 0.00 O ATOM 990 CB ARG A 77 22.955 -3.076 -5.520 1.00 0.00 C ATOM 991 CG ARG A 77 21.836 -3.104 -6.535 1.00 0.00 C ATOM 992 CD ARG A 77 21.668 -1.703 -7.110 1.00 0.00 C ATOM 993 NE ARG A 77 20.588 -1.583 -8.096 1.00 0.00 N ATOM 994 CZ ARG A 77 20.671 -0.874 -9.238 1.00 0.00 C ATOM 995 NH1 ARG A 77 21.859 -0.527 -9.730 1.00 0.00 N ATOM 996 NH2 ARG A 77 19.568 -0.574 -9.906 1.00 0.00 N ATOM 0 H ARG A 77 21.541 -4.377 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 77 23.522 -5.142 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 77 22.664 -2.400 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.833 -2.642 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.063 -3.815 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.909 -3.435 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 77 21.478 -1.007 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.605 -1.399 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 77 19.713 -2.071 -7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.712 -0.798 -9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.916 0.010 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.660 -0.880 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.626 -0.037 -10.771 1.00 0.00 H new ATOM 1010 N THR A 78 24.479 -3.401 -2.995 1.00 0.00 N ATOM 1011 CA THR A 78 25.579 -3.009 -2.104 1.00 0.00 C ATOM 1012 C THR A 78 26.430 -1.867 -2.753 1.00 0.00 C ATOM 1013 O THR A 78 27.431 -1.401 -2.209 1.00 0.00 O ATOM 1014 CB THR A 78 26.448 -4.243 -1.725 1.00 0.00 C ATOM 1015 OG1 THR A 78 25.576 -5.304 -1.265 1.00 0.00 O ATOM 1016 CG2 THR A 78 27.441 -3.933 -0.611 1.00 0.00 C ATOM 0 H THR A 78 23.572 -3.043 -2.696 1.00 0.00 H new ATOM 0 HA THR A 78 25.159 -2.616 -1.178 1.00 0.00 H new ATOM 0 HB THR A 78 27.009 -4.534 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 78 26.113 -6.088 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.023 -4.826 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.111 -3.135 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 78 26.900 -3.616 0.281 1.00 0.00 H new ATOM 1024 N ASP A 79 25.980 -1.416 -3.910 1.00 0.00 N ATOM 1025 CA ASP A 79 26.623 -0.317 -4.663 1.00 0.00 C ATOM 1026 C ASP A 79 26.435 1.020 -3.975 1.00 0.00 C ATOM 1027 O ASP A 79 27.237 1.952 -4.159 1.00 0.00 O ATOM 1028 CB ASP A 79 26.055 -0.198 -6.086 1.00 0.00 C ATOM 1029 CG ASP A 79 26.434 -1.322 -6.996 1.00 0.00 C ATOM 1030 OD1 ASP A 79 27.523 -1.267 -7.598 1.00 0.00 O ATOM 1031 OD2 ASP A 79 25.647 -2.267 -7.158 1.00 0.00 O ATOM 0 H ASP A 79 25.152 -1.795 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 79 27.684 -0.565 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 79 24.968 -0.144 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 26.397 0.740 -6.524 1.00 0.00 H new ATOM 1036 N LEU A 80 25.384 1.117 -3.218 1.00 0.00 N ATOM 1037 CA LEU A 80 24.989 2.295 -2.551 1.00 0.00 C ATOM 1038 C LEU A 80 25.457 2.284 -1.126 1.00 0.00 C ATOM 1039 O LEU A 80 26.142 1.356 -0.662 1.00 0.00 O ATOM 1040 CB LEU A 80 23.481 2.475 -2.626 1.00 0.00 C ATOM 1041 CG LEU A 80 22.864 2.705 -3.997 1.00 0.00 C ATOM 1042 CD1 LEU A 80 22.849 1.439 -4.849 1.00 0.00 C ATOM 1043 CD2 LEU A 80 21.471 3.292 -3.906 1.00 0.00 C ATOM 0 H LEU A 80 24.756 0.331 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 80 25.457 3.143 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.016 1.590 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 80 23.212 3.319 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 80 23.507 3.433 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.399 1.657 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.870 1.087 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 22.268 0.668 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.072 3.438 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.824 2.610 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.513 4.251 -3.389 1.00 0.00 H new ATOM 1055 N ASP A 81 25.111 3.305 -0.461 1.00 0.00 N ATOM 1056 CA ASP A 81 25.581 3.580 0.867 1.00 0.00 C ATOM 1057 C ASP A 81 24.449 3.370 1.822 1.00 0.00 C ATOM 1058 O ASP A 81 23.499 2.686 1.493 1.00 0.00 O ATOM 1059 CB ASP A 81 26.095 5.028 0.867 1.00 0.00 C ATOM 1060 CG ASP A 81 26.928 5.457 2.057 1.00 0.00 C ATOM 1061 OD1 ASP A 81 26.360 5.944 3.057 1.00 0.00 O ATOM 1062 OD2 ASP A 81 28.164 5.386 1.983 1.00 0.00 O ATOM 0 H ASP A 81 24.469 4.012 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 81 26.391 2.920 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.689 5.178 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.235 5.694 0.797 1.00 0.00 H new ATOM 1067 N LEU A 82 24.526 3.956 2.991 1.00 0.00 N ATOM 1068 CA LEU A 82 23.470 3.859 3.958 1.00 0.00 C ATOM 1069 C LEU A 82 22.190 4.374 3.372 1.00 0.00 C ATOM 1070 O LEU A 82 21.134 3.988 3.765 1.00 0.00 O ATOM 1071 CB LEU A 82 23.819 4.455 5.350 1.00 0.00 C ATOM 1072 CG LEU A 82 24.189 5.958 5.452 1.00 0.00 C ATOM 1073 CD1 LEU A 82 22.977 6.873 5.310 1.00 0.00 C ATOM 1074 CD2 LEU A 82 24.900 6.229 6.758 1.00 0.00 C ATOM 0 H LEU A 82 25.324 4.513 3.296 1.00 0.00 H new ATOM 0 HA LEU A 82 23.328 2.802 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 82 22.966 4.281 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.654 3.882 5.753 1.00 0.00 H new ATOM 0 HG LEU A 82 24.854 6.182 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.295 7.913 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 82 22.509 6.710 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 82 22.259 6.652 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.156 7.287 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.247 5.964 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 82 25.811 5.632 6.807 1.00 0.00 H new ATOM 1086 N LEU A 83 22.336 5.280 2.428 1.00 0.00 N ATOM 1087 CA LEU A 83 21.233 5.844 1.697 1.00 0.00 C ATOM 1088 C LEU A 83 20.393 4.762 1.049 1.00 0.00 C ATOM 1089 O LEU A 83 19.181 4.900 0.986 1.00 0.00 O ATOM 1090 CB LEU A 83 21.703 6.853 0.625 1.00 0.00 C ATOM 1091 CG LEU A 83 22.332 8.179 1.110 1.00 0.00 C ATOM 1092 CD1 LEU A 83 21.449 8.867 2.136 1.00 0.00 C ATOM 1093 CD2 LEU A 83 23.750 7.995 1.632 1.00 0.00 C ATOM 0 H LEU A 83 23.244 5.649 2.146 1.00 0.00 H new ATOM 0 HA LEU A 83 20.622 6.380 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.431 6.350 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 83 20.846 7.098 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 83 22.402 8.829 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.920 9.796 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.478 9.087 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.314 8.213 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 83 24.145 8.957 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 83 23.741 7.301 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 83 24.381 7.595 0.838 1.00 0.00 H new ATOM 1105 N GLU A 84 21.015 3.689 0.575 1.00 0.00 N ATOM 1106 CA GLU A 84 20.217 2.620 0.036 1.00 0.00 C ATOM 1107 C GLU A 84 19.511 1.929 1.159 1.00 0.00 C ATOM 1108 O GLU A 84 18.284 1.868 1.195 1.00 0.00 O ATOM 1109 CB GLU A 84 20.978 1.592 -0.841 1.00 0.00 C ATOM 1110 CG GLU A 84 22.060 0.753 -0.162 1.00 0.00 C ATOM 1111 CD GLU A 84 22.491 -0.489 -0.936 1.00 0.00 C ATOM 1112 OE1 GLU A 84 21.856 -1.541 -0.765 1.00 0.00 O ATOM 1113 OE2 GLU A 84 23.531 -0.457 -1.628 1.00 0.00 O ATOM 0 H GLU A 84 22.025 3.547 0.556 1.00 0.00 H new ATOM 0 HA GLU A 84 19.513 3.089 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.245 0.911 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 84 21.439 2.131 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 84 22.935 1.381 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.698 0.444 0.819 1.00 0.00 H new ATOM 1120 N LYS A 85 20.297 1.509 2.121 1.00 0.00 N ATOM 1121 CA LYS A 85 19.810 0.732 3.254 1.00 0.00 C ATOM 1122 C LYS A 85 18.721 1.429 3.976 1.00 0.00 C ATOM 1123 O LYS A 85 17.687 0.823 4.273 1.00 0.00 O ATOM 1124 CB LYS A 85 20.932 0.350 4.227 1.00 0.00 C ATOM 1125 CG LYS A 85 21.471 -1.054 4.041 1.00 0.00 C ATOM 1126 CD LYS A 85 22.039 -1.276 2.664 1.00 0.00 C ATOM 1127 CE LYS A 85 22.412 -2.714 2.476 1.00 0.00 C ATOM 1128 NZ LYS A 85 22.992 -2.977 1.139 1.00 0.00 N ATOM 0 H LYS A 85 21.300 1.694 2.147 1.00 0.00 H new ATOM 0 HA LYS A 85 19.407 -0.189 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.752 1.059 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.562 0.452 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.245 -1.244 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.672 -1.773 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.308 -0.982 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.916 -0.645 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.130 -3.004 3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.528 -3.337 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.234 -3.985 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.299 -2.727 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.851 -2.404 1.014 1.00 0.00 H new ATOM 1142 N PHE A 86 18.903 2.699 4.187 1.00 0.00 N ATOM 1143 CA PHE A 86 17.949 3.456 4.916 1.00 0.00 C ATOM 1144 C PHE A 86 16.652 3.614 4.146 1.00 0.00 C ATOM 1145 O PHE A 86 15.594 3.590 4.715 1.00 0.00 O ATOM 1146 CB PHE A 86 18.481 4.814 5.411 1.00 0.00 C ATOM 1147 CG PHE A 86 17.438 5.617 6.161 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.028 5.231 7.429 1.00 0.00 C ATOM 1149 CD2 PHE A 86 16.843 6.732 5.583 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.058 5.941 8.107 1.00 0.00 C ATOM 1151 CE2 PHE A 86 15.867 7.442 6.257 1.00 0.00 C ATOM 1152 CZ PHE A 86 15.476 7.047 7.521 1.00 0.00 C ATOM 0 H PHE A 86 19.711 3.228 3.859 1.00 0.00 H new ATOM 0 HA PHE A 86 17.741 2.875 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.340 4.647 6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.834 5.393 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 86 17.474 4.363 7.892 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.147 7.047 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.754 5.631 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.411 8.305 5.795 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.716 7.603 8.050 1.00 0.00 H new ATOM 1162 N ASN A 87 16.756 3.687 2.856 1.00 0.00 N ATOM 1163 CA ASN A 87 15.632 3.948 1.991 1.00 0.00 C ATOM 1164 C ASN A 87 14.780 2.718 1.924 1.00 0.00 C ATOM 1165 O ASN A 87 13.564 2.794 1.946 1.00 0.00 O ATOM 1166 CB ASN A 87 16.104 4.324 0.573 1.00 0.00 C ATOM 1167 CG ASN A 87 14.979 4.832 -0.324 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.038 5.460 0.141 1.00 0.00 O ATOM 1169 ND2 ASN A 87 15.082 4.593 -1.608 1.00 0.00 N ATOM 0 H ASN A 87 17.638 3.566 2.358 1.00 0.00 H new ATOM 0 HA ASN A 87 15.062 4.785 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.875 5.091 0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.564 3.452 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.366 4.934 -2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.879 4.066 -1.966 1.00 0.00 H new ATOM 1176 N PHE A 88 15.429 1.562 1.915 1.00 0.00 N ATOM 1177 CA PHE A 88 14.705 0.321 1.792 1.00 0.00 C ATOM 1178 C PHE A 88 14.076 0.001 3.075 1.00 0.00 C ATOM 1179 O PHE A 88 12.923 -0.324 3.102 1.00 0.00 O ATOM 1180 CB PHE A 88 15.564 -0.848 1.346 1.00 0.00 C ATOM 1181 CG PHE A 88 16.462 -0.527 0.224 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.054 0.286 -0.825 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.735 -0.982 0.246 1.00 0.00 C ATOM 1184 CE1 PHE A 88 16.921 0.617 -1.818 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.602 -0.646 -0.731 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.200 0.147 -1.761 1.00 0.00 C ATOM 0 H PHE A 88 16.442 1.465 1.991 1.00 0.00 H new ATOM 0 HA PHE A 88 13.959 0.471 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.161 -1.192 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.915 -1.675 1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.040 0.658 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.061 -1.621 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.602 1.242 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.619 -1.008 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 88 18.900 0.407 -2.541 1.00 0.00 H new ATOM 1196 N GLU A 89 14.814 0.164 4.170 1.00 0.00 N ATOM 1197 CA GLU A 89 14.246 -0.114 5.452 1.00 0.00 C ATOM 1198 C GLU A 89 13.164 0.887 5.728 1.00 0.00 C ATOM 1199 O GLU A 89 12.154 0.555 6.365 1.00 0.00 O ATOM 1200 CB GLU A 89 15.269 -0.181 6.603 1.00 0.00 C ATOM 1201 CG GLU A 89 16.022 1.098 6.891 1.00 0.00 C ATOM 1202 CD GLU A 89 16.872 0.987 8.128 1.00 0.00 C ATOM 1203 OE1 GLU A 89 16.305 0.982 9.234 1.00 0.00 O ATOM 1204 OE2 GLU A 89 18.121 0.870 8.023 1.00 0.00 O ATOM 0 H GLU A 89 15.784 0.481 4.181 1.00 0.00 H new ATOM 0 HA GLU A 89 13.829 -1.120 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.747 -0.485 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.993 -0.963 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.654 1.346 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.313 1.917 7.011 1.00 0.00 H new ATOM 1211 N ALA A 90 13.337 2.119 5.206 1.00 0.00 N ATOM 1212 CA ALA A 90 12.306 3.125 5.435 1.00 0.00 C ATOM 1213 C ALA A 90 11.046 2.785 4.646 1.00 0.00 C ATOM 1214 O ALA A 90 9.928 2.851 5.168 1.00 0.00 O ATOM 1215 CB ALA A 90 12.781 4.535 5.123 1.00 0.00 C ATOM 0 H ALA A 90 14.139 2.421 4.653 1.00 0.00 H new ATOM 0 HA ALA A 90 12.072 3.107 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.973 5.241 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.633 4.781 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.079 4.595 4.076 1.00 0.00 H new ATOM 1221 N ALA A 91 11.230 2.380 3.409 1.00 0.00 N ATOM 1222 CA ALA A 91 10.125 2.016 2.541 1.00 0.00 C ATOM 1223 C ALA A 91 9.481 0.724 2.989 1.00 0.00 C ATOM 1224 O ALA A 91 8.288 0.566 2.885 1.00 0.00 O ATOM 1225 CB ALA A 91 10.580 1.920 1.099 1.00 0.00 C ATOM 0 H ALA A 91 12.148 2.293 2.974 1.00 0.00 H new ATOM 0 HA ALA A 91 9.375 2.804 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.734 1.646 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.976 2.883 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.358 1.161 1.013 1.00 0.00 H new ATOM 1231 N LEU A 92 10.267 -0.189 3.505 1.00 0.00 N ATOM 1232 CA LEU A 92 9.738 -1.438 4.019 1.00 0.00 C ATOM 1233 C LEU A 92 8.828 -1.174 5.184 1.00 0.00 C ATOM 1234 O LEU A 92 7.774 -1.778 5.289 1.00 0.00 O ATOM 1235 CB LEU A 92 10.848 -2.424 4.420 1.00 0.00 C ATOM 1236 CG LEU A 92 11.716 -2.992 3.293 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.782 -3.917 3.852 1.00 0.00 C ATOM 1238 CD2 LEU A 92 10.867 -3.720 2.273 1.00 0.00 C ATOM 0 H LEU A 92 11.280 -0.094 3.582 1.00 0.00 H new ATOM 0 HA LEU A 92 9.171 -1.905 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.504 -1.924 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.385 -3.260 4.945 1.00 0.00 H new ATOM 0 HG LEU A 92 12.209 -2.158 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.388 -4.310 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.419 -3.363 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.306 -4.743 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.506 -4.114 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.340 -4.542 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.142 -3.029 1.843 1.00 0.00 H new ATOM 1250 N ALA A 93 9.203 -0.216 6.009 1.00 0.00 N ATOM 1251 CA ALA A 93 8.410 0.125 7.166 1.00 0.00 C ATOM 1252 C ALA A 93 7.179 0.864 6.748 1.00 0.00 C ATOM 1253 O ALA A 93 6.089 0.573 7.220 1.00 0.00 O ATOM 1254 CB ALA A 93 9.208 0.941 8.169 1.00 0.00 C ATOM 0 H ALA A 93 10.052 0.338 5.897 1.00 0.00 H new ATOM 0 HA ALA A 93 8.117 -0.803 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.579 1.179 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.072 0.365 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.546 1.865 7.699 1.00 0.00 H new ATOM 1260 N THR A 94 7.348 1.771 5.812 1.00 0.00 N ATOM 1261 CA THR A 94 6.256 2.551 5.333 1.00 0.00 C ATOM 1262 C THR A 94 5.242 1.639 4.640 1.00 0.00 C ATOM 1263 O THR A 94 4.046 1.659 4.952 1.00 0.00 O ATOM 1264 CB THR A 94 6.756 3.661 4.373 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.750 4.459 5.051 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.614 4.567 3.930 1.00 0.00 C ATOM 0 H THR A 94 8.244 1.979 5.371 1.00 0.00 H new ATOM 0 HA THR A 94 5.768 3.041 6.176 1.00 0.00 H new ATOM 0 HB THR A 94 7.181 3.184 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.579 3.944 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.998 5.334 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.860 3.975 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.166 5.041 4.803 1.00 0.00 H new ATOM 1274 N GLY A 95 5.760 0.780 3.787 1.00 0.00 N ATOM 1275 CA GLY A 95 4.957 -0.108 3.017 1.00 0.00 C ATOM 1276 C GLY A 95 4.278 -1.160 3.838 1.00 0.00 C ATOM 1277 O GLY A 95 3.140 -1.471 3.589 1.00 0.00 O ATOM 0 H GLY A 95 6.762 0.688 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.202 0.468 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.581 -0.591 2.265 1.00 0.00 H new ATOM 1281 N ASP A 96 4.972 -1.702 4.822 1.00 0.00 N ATOM 1282 CA ASP A 96 4.398 -2.747 5.670 1.00 0.00 C ATOM 1283 C ASP A 96 3.299 -2.175 6.537 1.00 0.00 C ATOM 1284 O ASP A 96 2.230 -2.757 6.653 1.00 0.00 O ATOM 1285 CB ASP A 96 5.478 -3.426 6.524 1.00 0.00 C ATOM 1286 CG ASP A 96 4.948 -4.528 7.427 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.617 -5.624 6.926 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.905 -4.332 8.659 1.00 0.00 O ATOM 0 H ASP A 96 5.930 -1.442 5.058 1.00 0.00 H new ATOM 0 HA ASP A 96 3.965 -3.511 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.238 -3.845 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.969 -2.671 7.138 1.00 0.00 H new ATOM 1293 N LEU A 97 3.536 -0.994 7.082 1.00 0.00 N ATOM 1294 CA LEU A 97 2.547 -0.345 7.930 1.00 0.00 C ATOM 1295 C LEU A 97 1.302 0.043 7.161 1.00 0.00 C ATOM 1296 O LEU A 97 0.191 -0.124 7.659 1.00 0.00 O ATOM 1297 CB LEU A 97 3.128 0.855 8.681 1.00 0.00 C ATOM 1298 CG LEU A 97 4.210 0.526 9.711 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.687 1.788 10.411 1.00 0.00 C ATOM 1300 CD2 LEU A 97 3.696 -0.492 10.718 1.00 0.00 C ATOM 0 H LEU A 97 4.399 -0.466 6.954 1.00 0.00 H new ATOM 0 HA LEU A 97 2.253 -1.084 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.544 1.551 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.314 1.373 9.188 1.00 0.00 H new ATOM 0 HG LEU A 97 5.061 0.088 9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.456 1.531 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.100 2.478 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.848 2.261 10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.479 -0.714 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.827 -0.085 11.235 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.413 -1.407 10.198 1.00 0.00 H new ATOM 1312 N LEU A 98 1.469 0.576 5.964 1.00 0.00 N ATOM 1313 CA LEU A 98 0.314 0.890 5.144 1.00 0.00 C ATOM 1314 C LEU A 98 -0.338 -0.388 4.627 1.00 0.00 C ATOM 1315 O LEU A 98 -1.520 -0.417 4.419 1.00 0.00 O ATOM 1316 CB LEU A 98 0.641 1.883 4.007 1.00 0.00 C ATOM 1317 CG LEU A 98 1.559 1.377 2.904 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.792 0.637 1.811 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.417 2.488 2.333 1.00 0.00 C ATOM 0 H LEU A 98 2.373 0.797 5.545 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.409 1.403 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.297 2.200 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.096 2.769 4.449 1.00 0.00 H new ATOM 0 HG LEU A 98 2.232 0.653 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.489 0.295 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.278 -0.221 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.061 1.309 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.058 2.086 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.776 3.265 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.035 2.914 3.124 1.00 0.00 H new ATOM 1331 N LEU A 99 0.455 -1.458 4.451 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.061 -2.734 3.949 1.00 0.00 C ATOM 1333 C LEU A 99 -0.965 -3.291 5.008 1.00 0.00 C ATOM 1334 O LEU A 99 -2.062 -3.780 4.729 1.00 0.00 O ATOM 1335 CB LEU A 99 1.109 -3.704 3.603 1.00 0.00 C ATOM 1336 CG LEU A 99 0.805 -4.952 2.731 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.102 -5.584 2.264 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.011 -5.997 3.477 1.00 0.00 C ATOM 0 H LEU A 99 1.455 -1.461 4.650 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.621 -2.597 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.880 -3.125 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.539 -4.053 4.542 1.00 0.00 H new ATOM 0 HG LEU A 99 0.216 -4.609 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.881 -6.459 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.667 -4.862 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.692 -5.886 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.196 -6.849 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.540 -6.328 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.962 -5.563 3.786 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.520 -3.144 6.235 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.295 -3.496 7.377 1.00 0.00 C ATOM 1352 C LYS A 100 -2.512 -2.619 7.428 1.00 0.00 C ATOM 1353 O LYS A 100 -3.588 -3.063 7.807 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.490 -3.320 8.656 1.00 0.00 C ATOM 1355 CG LYS A 100 0.613 -4.338 8.864 1.00 0.00 C ATOM 1356 CD LYS A 100 1.478 -3.987 10.072 1.00 0.00 C ATOM 1357 CE LYS A 100 0.654 -3.788 11.355 1.00 0.00 C ATOM 1358 NZ LYS A 100 -0.198 -4.955 11.681 1.00 0.00 N ATOM 0 H LYS A 100 0.403 -2.771 6.459 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.585 -4.544 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.049 -2.323 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.171 -3.366 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.176 -5.327 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.236 -4.388 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.208 -4.780 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.038 -3.076 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.330 -3.594 12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.025 -2.905 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.665 -4.799 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.919 -5.076 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.391 -5.811 11.733 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.353 -1.379 6.978 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.442 -0.436 7.027 1.00 0.00 C ATOM 1374 C ASP A 101 -4.512 -0.795 5.993 1.00 0.00 C ATOM 1375 O ASP A 101 -5.696 -0.673 6.274 1.00 0.00 O ATOM 1376 CB ASP A 101 -2.951 1.012 6.906 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.007 2.040 7.266 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.545 1.992 8.396 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.282 2.940 6.462 1.00 0.00 O ATOM 0 H ASP A 101 -1.487 -1.015 6.581 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.911 -0.505 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.085 1.149 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.616 1.190 5.884 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.085 -1.298 4.805 1.00 0.00 N ATOM 1385 CA LEU A 102 -5.034 -1.834 3.795 1.00 0.00 C ATOM 1386 C LEU A 102 -5.863 -2.947 4.416 1.00 0.00 C ATOM 1387 O LEU A 102 -7.085 -2.973 4.296 1.00 0.00 O ATOM 1388 CB LEU A 102 -4.354 -2.420 2.504 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.874 -1.476 1.362 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -4.912 -0.456 0.954 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -2.551 -0.828 1.642 1.00 0.00 C ATOM 0 H LEU A 102 -3.105 -1.343 4.526 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.638 -0.980 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.488 -2.995 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.058 -3.126 2.063 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.726 -2.135 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.513 0.169 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.807 -0.969 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.165 0.168 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.277 -0.184 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.623 -0.231 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.790 -1.597 1.773 1.00 0.00 H new ATOM 1403 N LYS A 103 -5.186 -3.838 5.115 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.820 -4.991 5.736 1.00 0.00 C ATOM 1405 C LYS A 103 -6.747 -4.577 6.874 1.00 0.00 C ATOM 1406 O LYS A 103 -7.861 -5.094 6.996 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.761 -5.963 6.248 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.799 -6.430 5.168 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.718 -7.346 5.717 1.00 0.00 C ATOM 1410 CE LYS A 103 -3.284 -8.669 6.203 1.00 0.00 C ATOM 1411 NZ LYS A 103 -2.219 -9.584 6.641 1.00 0.00 N ATOM 0 H LYS A 103 -4.179 -3.785 5.270 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.425 -5.486 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.195 -5.484 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.255 -6.831 6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.355 -6.953 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.334 -5.563 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.974 -7.533 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.204 -6.848 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.973 -8.490 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.859 -9.135 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.641 -10.477 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.576 -9.774 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.686 -9.149 7.421 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.305 -3.626 7.668 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.055 -3.164 8.809 1.00 0.00 C ATOM 1427 C ALA A 104 -8.261 -2.382 8.368 1.00 0.00 C ATOM 1428 O ALA A 104 -9.363 -2.547 8.915 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.179 -2.320 9.705 1.00 0.00 C ATOM 0 H ALA A 104 -5.412 -3.152 7.537 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.396 -4.032 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.758 -1.978 10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.334 -2.914 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.812 -1.458 9.148 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.084 -1.565 7.341 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.172 -0.786 6.851 1.00 0.00 C ATOM 1437 C LEU A 105 -10.146 -1.724 6.204 1.00 0.00 C ATOM 1438 O LEU A 105 -11.305 -1.521 6.287 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.742 0.371 5.903 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.538 0.042 4.412 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.815 0.273 3.610 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.383 0.815 3.823 1.00 0.00 C ATOM 0 H LEU A 105 -7.201 -1.436 6.846 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.641 -0.270 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.494 1.157 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.810 0.787 6.284 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.291 -1.018 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.635 0.031 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.609 -0.365 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.114 1.318 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.271 0.556 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.576 1.884 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.467 0.564 4.358 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.632 -2.784 5.575 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.462 -3.799 4.959 1.00 0.00 C ATOM 1456 C GLN A 106 -11.365 -4.461 5.973 1.00 0.00 C ATOM 1457 O GLN A 106 -12.498 -4.734 5.674 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.627 -4.836 4.205 1.00 0.00 C ATOM 1459 CG GLN A 106 -10.451 -5.961 3.604 1.00 0.00 C ATOM 1460 CD GLN A 106 -9.653 -6.935 2.771 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -10.174 -7.520 1.826 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -8.405 -7.122 3.102 1.00 0.00 N ATOM 0 H GLN A 106 -8.630 -2.954 5.483 1.00 0.00 H new ATOM 0 HA GLN A 106 -11.094 -3.295 4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -9.075 -4.336 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.890 -5.261 4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.943 -6.507 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.237 -5.530 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.006 -6.618 3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.828 -7.772 2.569 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.879 -4.687 7.171 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.723 -5.268 8.211 1.00 0.00 C ATOM 1473 C LYS A 107 -12.808 -4.265 8.598 1.00 0.00 C ATOM 1474 O LYS A 107 -13.945 -4.634 8.832 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.903 -5.685 9.442 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.808 -6.720 9.173 1.00 0.00 C ATOM 1477 CD LYS A 107 -10.371 -8.053 8.682 1.00 0.00 C ATOM 1478 CE LYS A 107 -9.253 -9.059 8.441 1.00 0.00 C ATOM 1479 NZ LYS A 107 -9.755 -10.377 8.005 1.00 0.00 N ATOM 0 H LYS A 107 -9.921 -4.484 7.456 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.186 -6.172 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.443 -4.795 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.583 -6.086 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.115 -6.326 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.236 -6.885 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.071 -8.450 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.931 -7.898 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.573 -8.666 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.675 -9.180 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.953 -11.022 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.383 -10.769 8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.284 -10.270 7.116 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.448 -2.994 8.610 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.387 -1.918 8.893 1.00 0.00 C ATOM 1495 C ARG A 108 -14.399 -1.796 7.765 1.00 0.00 C ATOM 1496 O ARG A 108 -15.589 -1.605 7.982 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.650 -0.601 9.058 1.00 0.00 C ATOM 1498 CG ARG A 108 -11.729 -0.527 10.259 1.00 0.00 C ATOM 1499 CD ARG A 108 -11.039 0.822 10.306 1.00 0.00 C ATOM 1500 NE ARG A 108 -12.013 1.921 10.204 1.00 0.00 N ATOM 1501 CZ ARG A 108 -11.722 3.198 9.964 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.461 3.611 9.943 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -12.700 4.062 9.765 1.00 0.00 N ATOM 0 H ARG A 108 -11.497 -2.676 8.424 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.908 -2.152 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.064 -0.415 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.384 0.202 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.300 -0.684 11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.986 -1.322 10.206 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.478 0.915 11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.319 0.894 9.491 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.997 1.683 10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.704 2.948 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.248 4.591 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.671 3.750 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.485 5.042 9.581 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.913 -1.921 6.563 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.715 -1.845 5.402 1.00 0.00 C ATOM 1519 C VAL A 109 -15.657 -3.068 5.304 1.00 0.00 C ATOM 1520 O VAL A 109 -16.833 -2.938 4.924 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.849 -1.562 4.142 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.656 -1.588 2.900 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.211 -0.200 4.281 1.00 0.00 C ATOM 0 H VAL A 109 -12.924 -2.082 6.372 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.383 -0.986 5.470 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.093 -2.344 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.013 -1.386 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.115 -2.570 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.435 -0.828 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.601 0.008 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.989 0.559 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.582 -0.182 5.171 1.00 0.00 H new ATOM 1533 N GLN A 110 -15.133 -4.234 5.687 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.918 -5.467 5.813 1.00 0.00 C ATOM 1535 C GLN A 110 -16.975 -5.291 6.878 1.00 0.00 C ATOM 1536 O GLN A 110 -18.088 -5.799 6.767 1.00 0.00 O ATOM 1537 CB GLN A 110 -15.033 -6.656 6.210 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.302 -7.339 5.065 1.00 0.00 C ATOM 1539 CD GLN A 110 -15.234 -8.104 4.123 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -14.961 -8.223 2.929 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -16.305 -8.664 4.647 1.00 0.00 N ATOM 0 H GLN A 110 -14.147 -4.352 5.920 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.373 -5.668 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.295 -6.311 6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.654 -7.396 6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.755 -6.589 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.564 -8.029 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.507 -8.549 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.933 -9.213 4.060 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.610 -4.556 7.912 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.484 -4.284 9.038 1.00 0.00 C ATOM 1552 C ASP A 111 -18.654 -3.408 8.610 1.00 0.00 C ATOM 1553 O ASP A 111 -19.779 -3.572 9.085 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.706 -3.623 10.183 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.551 -3.318 11.396 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.672 -4.188 12.286 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.086 -2.199 11.502 1.00 0.00 O ATOM 0 H ASP A 111 -15.689 -4.126 7.995 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.880 -5.234 9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.886 -4.277 10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.260 -2.697 9.820 1.00 0.00 H new ATOM 1562 N SER A 112 -18.369 -2.510 7.689 1.00 0.00 N ATOM 1563 CA SER A 112 -19.341 -1.601 7.115 1.00 0.00 C ATOM 1564 C SER A 112 -20.439 -2.379 6.332 1.00 0.00 C ATOM 1565 O SER A 112 -21.535 -1.866 6.141 1.00 0.00 O ATOM 1566 CB SER A 112 -18.620 -0.551 6.235 1.00 0.00 C ATOM 1567 OG SER A 112 -19.487 0.500 5.831 1.00 0.00 O ATOM 0 H SER A 112 -17.430 -2.389 7.309 1.00 0.00 H new ATOM 0 HA SER A 112 -19.853 -1.068 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 112 -17.779 -0.133 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 112 -18.210 -1.040 5.352 1.00 0.00 H new ATOM 0 HG SER A 112 -19.782 0.345 4.909 1.00 0.00 H new ATOM 1573 N GLU A 113 -20.089 -3.601 5.863 1.00 0.00 N ATOM 1574 CA GLU A 113 -21.001 -4.517 5.144 1.00 0.00 C ATOM 1575 C GLU A 113 -21.295 -4.035 3.734 1.00 0.00 C ATOM 1576 O GLU A 113 -22.308 -3.372 3.505 1.00 0.00 O ATOM 1577 CB GLU A 113 -22.302 -4.784 5.920 1.00 0.00 C ATOM 1578 CG GLU A 113 -22.100 -5.419 7.278 1.00 0.00 C ATOM 1579 CD GLU A 113 -23.392 -5.662 8.001 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -23.861 -4.772 8.718 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -23.955 -6.764 7.881 1.00 0.00 O ATOM 1582 OXT GLU A 113 -20.455 -4.283 2.839 1.00 0.00 O ATOM 0 H GLU A 113 -19.150 -3.982 5.977 1.00 0.00 H new ATOM 0 HA GLU A 113 -20.474 -5.468 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -22.834 -3.841 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -22.942 -5.432 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -21.572 -6.365 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -21.464 -4.775 7.885 1.00 0.00 H new TER 1589 GLU A 113