USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 735 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 63 MET CE :methyl -146:sc= 0 (180deg=-0.889) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-1.5) USER MOD Set 2.1: A 76 THR OG1 : rot -152:sc= 0.864 USER MOD Set 2.2: A 117 TYR OH : rot 132:sc= 0.607 USER MOD Set 3.1: A 65 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 58 SER OG : rot -114:sc= 0.574 USER MOD Set 4.2: A 120 ASN : amide:sc= 0.706 K(o=1.3,f=-2.2) USER MOD Set 5.1: A 38 LYS NZ :NH3+ -176:sc= 0.104 (180deg=0) USER MOD Set 5.2: A 43 SER OG : rot 180:sc= 0.101 USER MOD Set 6.1: A 25 ASN : amide:sc= -0.792 K(o=0.58,f=-5.6) USER MOD Set 6.2: A 146 THR OG1 : rot 90:sc= 1.37 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.307 F(o=-1.7,f=-0.31) USER MOD Single : A 39 ASN : amide:sc= 0.363 K(o=0.36,f=-2.5!) USER MOD Single : A 42 TYR OH : rot 150:sc= -0.0195 USER MOD Single : A 45 SER OG : rot 180:sc= 0.212 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 176:sc= -0.432 USER MOD Single : A 66 MET CE :methyl -140:sc= -3.75! (180deg=-9.61!) USER MOD Single : A 71 SER OG : rot -22:sc= 0.268 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 92 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.12) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -2.64 F(o=-3.3,f=-2.6) USER MOD Single : A 101 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0511 X(o=-0.051,f=0.19) USER MOD Single : A 114 TYR OH : rot -52:sc= 1.43 USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.666 USER MOD Single : A 122 SER OG : rot 120:sc= -0.0018 USER MOD Single : A 130 THR OG1 : rot -27:sc= 0.0279 USER MOD Single : A 131 SER OG : rot 170:sc= -0.185 USER MOD Single : A 133 THR OG1 : rot -54:sc= 0.00415 USER MOD Single : A 144 THR OG1 : rot -31:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 7.053 -9.161 3.865 1.00 0.00 N ATOM 17 CA ILE A 22 6.047 -8.488 3.053 1.00 0.00 C ATOM 18 C ILE A 22 6.575 -7.165 2.509 1.00 0.00 C ATOM 19 O ILE A 22 7.034 -6.310 3.266 1.00 0.00 O ATOM 20 CB ILE A 22 4.761 -8.223 3.856 1.00 0.00 C ATOM 21 CG1 ILE A 22 4.277 -9.511 4.526 1.00 0.00 C ATOM 22 CG2 ILE A 22 3.679 -7.654 2.951 1.00 0.00 C ATOM 23 CD1 ILE A 22 3.921 -10.607 3.546 1.00 0.00 C ATOM 0 HA ILE A 22 5.816 -9.154 2.221 1.00 0.00 H new ATOM 0 HB ILE A 22 4.981 -7.491 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.054 -9.875 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.404 -9.286 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.776 -7.472 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.025 -6.717 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.460 -8.365 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.586 -11.489 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.122 -10.262 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.797 -10.860 2.950 1.00 0.00 H new ATOM 34 N ASP A 23 6.504 -7.003 1.192 1.00 0.00 N ATOM 35 CA ASP A 23 6.972 -5.781 0.547 1.00 0.00 C ATOM 36 C ASP A 23 5.800 -4.974 -0.002 1.00 0.00 C ATOM 37 O ASP A 23 4.941 -5.507 -0.705 1.00 0.00 O ATOM 38 CB ASP A 23 7.949 -6.118 -0.582 1.00 0.00 C ATOM 39 CG ASP A 23 8.981 -5.029 -0.798 1.00 0.00 C ATOM 40 OD1 ASP A 23 8.580 -3.859 -0.974 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.188 -5.346 -0.790 1.00 0.00 O ATOM 0 H ASP A 23 6.127 -7.701 0.551 1.00 0.00 H new ATOM 0 HA ASP A 23 7.487 -5.178 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.456 -7.055 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.392 -6.275 -1.506 1.00 0.00 H new ATOM 45 N LEU A 24 5.771 -3.687 0.323 1.00 0.00 N ATOM 46 CA LEU A 24 4.704 -2.805 -0.136 1.00 0.00 C ATOM 47 C LEU A 24 5.241 -1.763 -1.113 1.00 0.00 C ATOM 48 O LEU A 24 5.954 -0.841 -0.722 1.00 0.00 O ATOM 49 CB LEU A 24 4.042 -2.110 1.054 1.00 0.00 C ATOM 50 CG LEU A 24 2.888 -2.865 1.716 1.00 0.00 C ATOM 51 CD1 LEU A 24 1.772 -3.117 0.714 1.00 0.00 C ATOM 52 CD2 LEU A 24 3.381 -4.176 2.311 1.00 0.00 C ATOM 0 H LEU A 24 6.475 -3.230 0.903 1.00 0.00 H new ATOM 0 HA LEU A 24 3.962 -3.413 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.805 -1.920 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.672 -1.140 0.723 1.00 0.00 H new ATOM 0 HG LEU A 24 2.491 -2.250 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.959 -3.655 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.401 -2.165 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.155 -3.712 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.547 -4.700 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.804 -4.797 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.146 -3.971 3.060 1.00 0.00 H new ATOM 63 N ASN A 25 4.891 -1.917 -2.386 1.00 0.00 N ATOM 64 CA ASN A 25 5.337 -0.990 -3.419 1.00 0.00 C ATOM 65 C ASN A 25 4.297 0.101 -3.654 1.00 0.00 C ATOM 66 O ASN A 25 3.101 -0.111 -3.449 1.00 0.00 O ATOM 67 CB ASN A 25 5.608 -1.740 -4.724 1.00 0.00 C ATOM 68 CG ASN A 25 6.165 -3.130 -4.488 1.00 0.00 C ATOM 69 OD1 ASN A 25 6.927 -3.355 -3.546 1.00 0.00 O ATOM 70 ND2 ASN A 25 5.788 -4.073 -5.343 1.00 0.00 N ATOM 0 H ASN A 25 4.300 -2.675 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 25 6.260 -0.522 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.683 -1.815 -5.296 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.311 -1.168 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.131 -5.027 -5.234 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.155 -3.843 -6.109 1.00 0.00 H new ATOM 76 N ILE A 26 4.762 1.270 -4.087 1.00 0.00 N ATOM 77 CA ILE A 26 3.872 2.393 -4.352 1.00 0.00 C ATOM 78 C ILE A 26 4.333 3.184 -5.571 1.00 0.00 C ATOM 79 O ILE A 26 5.520 3.478 -5.723 1.00 0.00 O ATOM 80 CB ILE A 26 3.789 3.343 -3.142 1.00 0.00 C ATOM 81 CG1 ILE A 26 5.190 3.646 -2.606 1.00 0.00 C ATOM 82 CG2 ILE A 26 2.920 2.735 -2.050 1.00 0.00 C ATOM 83 CD1 ILE A 26 5.664 2.660 -1.561 1.00 0.00 C ATOM 0 H ILE A 26 5.748 1.463 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 26 2.884 1.974 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 26 3.333 4.279 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.895 3.649 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.197 4.648 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.871 3.418 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.915 2.564 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.351 1.787 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.664 2.937 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.981 2.673 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.689 1.659 -1.991 1.00 0.00 H new ATOM 94 N THR A 27 3.387 3.527 -6.440 1.00 0.00 N ATOM 95 CA THR A 27 3.695 4.283 -7.647 1.00 0.00 C ATOM 96 C THR A 27 3.671 5.783 -7.377 1.00 0.00 C ATOM 97 O THR A 27 3.594 6.216 -6.226 1.00 0.00 O ATOM 98 CB THR A 27 2.702 3.962 -8.780 1.00 0.00 C ATOM 99 OG1 THR A 27 3.217 4.431 -10.031 1.00 0.00 O ATOM 100 CG2 THR A 27 1.348 4.602 -8.512 1.00 0.00 C ATOM 0 H THR A 27 2.400 3.293 -6.330 1.00 0.00 H new ATOM 0 HA THR A 27 4.697 3.988 -7.957 1.00 0.00 H new ATOM 0 HB THR A 27 2.573 2.881 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.580 4.221 -10.746 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.664 4.361 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.945 4.221 -7.574 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.464 5.684 -8.444 1.00 0.00 H new ATOM 108 N CYS A 28 3.739 6.573 -8.443 1.00 0.00 N ATOM 109 CA CYS A 28 3.724 8.026 -8.321 1.00 0.00 C ATOM 110 C CYS A 28 2.567 8.487 -7.440 1.00 0.00 C ATOM 111 O CYS A 28 1.609 7.747 -7.218 1.00 0.00 O ATOM 112 CB CYS A 28 3.616 8.674 -9.704 1.00 0.00 C ATOM 113 SG CYS A 28 4.913 8.154 -10.872 1.00 0.00 S ATOM 0 H CYS A 28 3.805 6.231 -9.402 1.00 0.00 H new ATOM 0 HA CYS A 28 4.659 8.335 -7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.641 8.435 -10.130 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.658 9.757 -9.590 1.00 0.00 H new ATOM 117 N ARG A 29 2.664 9.715 -6.940 1.00 0.00 N ATOM 118 CA ARG A 29 1.627 10.275 -6.081 1.00 0.00 C ATOM 119 C ARG A 29 0.757 11.262 -6.854 1.00 0.00 C ATOM 120 O ARG A 29 1.246 12.270 -7.362 1.00 0.00 O ATOM 121 CB ARG A 29 2.256 10.970 -4.872 1.00 0.00 C ATOM 122 CG ARG A 29 3.210 10.084 -4.089 1.00 0.00 C ATOM 123 CD ARG A 29 2.479 9.284 -3.022 1.00 0.00 C ATOM 124 NE ARG A 29 3.269 9.149 -1.801 1.00 0.00 N ATOM 125 CZ ARG A 29 4.328 8.354 -1.694 1.00 0.00 C ATOM 126 NH1 ARG A 29 4.721 7.627 -2.730 1.00 0.00 N ATOM 127 NH2 ARG A 29 4.995 8.286 -0.549 1.00 0.00 N ATOM 0 H ARG A 29 3.450 10.341 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 29 0.997 9.457 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.792 11.856 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.463 11.312 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.719 9.403 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.979 10.699 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.532 9.771 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.241 8.294 -3.411 1.00 0.00 H new ATOM 0 HE ARG A 29 2.992 9.695 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.210 7.677 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.534 7.017 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.695 8.844 0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.808 7.675 -0.468 1.00 0.00 H new ATOM 138 N PHE A 30 -0.536 10.963 -6.938 1.00 0.00 N ATOM 139 CA PHE A 30 -1.474 11.823 -7.649 1.00 0.00 C ATOM 140 C PHE A 30 -2.162 12.788 -6.689 1.00 0.00 C ATOM 141 O PHE A 30 -3.062 12.404 -5.943 1.00 0.00 O ATOM 142 CB PHE A 30 -2.521 10.979 -8.378 1.00 0.00 C ATOM 143 CG PHE A 30 -1.939 10.081 -9.432 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.263 8.924 -9.080 1.00 0.00 C ATOM 145 CD2 PHE A 30 -2.067 10.394 -10.776 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.726 8.097 -10.048 1.00 0.00 C ATOM 147 CE2 PHE A 30 -1.533 9.570 -11.748 1.00 0.00 C ATOM 148 CZ PHE A 30 -0.862 8.419 -11.384 1.00 0.00 C ATOM 0 H PHE A 30 -0.957 10.132 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.912 12.404 -8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.057 10.371 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.253 11.642 -8.840 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.155 8.666 -8.037 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.590 11.293 -11.067 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.200 7.199 -9.760 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.640 9.826 -12.792 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.445 7.773 -12.142 1.00 0.00 H new ATOM 157 N ALA A 31 -1.731 14.046 -6.713 1.00 0.00 N ATOM 158 CA ALA A 31 -2.305 15.067 -5.847 1.00 0.00 C ATOM 159 C ALA A 31 -2.218 14.657 -4.381 1.00 0.00 C ATOM 160 O ALA A 31 -3.043 15.061 -3.562 1.00 0.00 O ATOM 161 CB ALA A 31 -3.751 15.336 -6.235 1.00 0.00 C ATOM 0 H ALA A 31 -0.986 14.381 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.728 15.983 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.167 16.101 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.792 15.682 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.331 14.418 -6.136 1.00 0.00 H new ATOM 167 N GLY A 32 -1.211 13.849 -4.056 1.00 0.00 N ATOM 168 CA GLY A 32 -1.036 13.398 -2.689 1.00 0.00 C ATOM 169 C GLY A 32 -1.577 11.999 -2.466 1.00 0.00 C ATOM 170 O GLY A 32 -1.110 11.277 -1.584 1.00 0.00 O ATOM 0 H GLY A 32 -0.515 13.500 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.024 13.419 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.539 14.091 -2.014 1.00 0.00 H new ATOM 174 N VAL A 33 -2.566 11.614 -3.267 1.00 0.00 N ATOM 175 CA VAL A 33 -3.172 10.293 -3.153 1.00 0.00 C ATOM 176 C VAL A 33 -2.383 9.256 -3.945 1.00 0.00 C ATOM 177 O VAL A 33 -1.908 9.530 -5.047 1.00 0.00 O ATOM 178 CB VAL A 33 -4.630 10.300 -3.649 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.310 8.979 -3.325 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.394 11.466 -3.040 1.00 0.00 C ATOM 0 H VAL A 33 -2.964 12.199 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.156 10.028 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.627 10.424 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.339 9.002 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.774 8.165 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.304 8.822 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.422 11.456 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.390 11.376 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.918 12.403 -3.328 1.00 0.00 H new ATOM 190 N PHE A 34 -2.245 8.064 -3.374 1.00 0.00 N ATOM 191 CA PHE A 34 -1.512 6.984 -4.025 1.00 0.00 C ATOM 192 C PHE A 34 -2.038 5.623 -3.580 1.00 0.00 C ATOM 193 O PHE A 34 -2.684 5.505 -2.538 1.00 0.00 O ATOM 194 CB PHE A 34 -0.018 7.093 -3.713 1.00 0.00 C ATOM 195 CG PHE A 34 0.298 6.973 -2.251 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.068 8.033 -1.388 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.830 5.800 -1.738 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.358 7.926 -0.041 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.123 5.687 -0.392 1.00 0.00 C ATOM 200 CZ PHE A 34 0.887 6.751 0.457 1.00 0.00 C ATOM 0 H PHE A 34 -2.631 7.821 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.659 7.076 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.517 6.315 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.353 8.050 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.343 8.954 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.018 4.965 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.172 8.759 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.536 4.768 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.116 6.664 1.509 1.00 0.00 H new ATOM 209 N HIS A 35 -1.758 4.598 -4.378 1.00 0.00 N ATOM 210 CA HIS A 35 -2.203 3.244 -4.066 1.00 0.00 C ATOM 211 C HIS A 35 -1.044 2.396 -3.550 1.00 0.00 C ATOM 212 O HIS A 35 0.089 2.526 -4.015 1.00 0.00 O ATOM 213 CB HIS A 35 -2.818 2.589 -5.304 1.00 0.00 C ATOM 214 CG HIS A 35 -1.801 2.077 -6.278 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.064 0.942 -6.273 1.00 0.00 N flip ATOM 216 CD2 HIS A 35 -1.443 2.761 -7.421 1.00 0.00 C flip ATOM 217 CE1 HIS A 35 -0.282 0.959 -7.402 1.00 0.00 C flip ATOM 218 NE2 HIS A 35 -0.531 2.068 -8.078 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.226 4.678 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.959 3.308 -3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.456 1.763 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.459 3.313 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.846 3.714 -7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.421 0.192 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.093 2.342 -8.958 1.00 0.00 H new ATOM 225 N VAL A 36 -1.335 1.528 -2.586 1.00 0.00 N ATOM 226 CA VAL A 36 -0.318 0.660 -2.007 1.00 0.00 C ATOM 227 C VAL A 36 -0.447 -0.765 -2.535 1.00 0.00 C ATOM 228 O VAL A 36 -1.344 -1.505 -2.136 1.00 0.00 O ATOM 229 CB VAL A 36 -0.409 0.635 -0.470 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.770 -0.121 0.124 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.475 2.051 0.082 1.00 0.00 C ATOM 0 H VAL A 36 -2.267 1.408 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 36 0.650 1.068 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.324 0.114 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.688 -0.128 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.769 -1.146 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.700 0.368 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.539 2.015 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.421 2.598 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.355 2.556 -0.317 1.00 0.00 H new ATOM 241 N GLU A 37 0.458 -1.141 -3.433 1.00 0.00 N ATOM 242 CA GLU A 37 0.445 -2.478 -4.016 1.00 0.00 C ATOM 243 C GLU A 37 1.316 -3.433 -3.204 1.00 0.00 C ATOM 244 O GLU A 37 2.451 -3.112 -2.856 1.00 0.00 O ATOM 245 CB GLU A 37 0.932 -2.432 -5.466 1.00 0.00 C ATOM 246 CG GLU A 37 0.463 -3.609 -6.304 1.00 0.00 C ATOM 247 CD GLU A 37 0.566 -3.343 -7.793 1.00 0.00 C ATOM 248 OE1 GLU A 37 1.668 -2.982 -8.258 1.00 0.00 O ATOM 249 OE2 GLU A 37 -0.457 -3.496 -8.494 1.00 0.00 O ATOM 0 H GLU A 37 1.209 -0.540 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.581 -2.845 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.585 -1.507 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.022 -2.403 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.057 -4.488 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.572 -3.841 -6.051 1.00 0.00 H new ATOM 254 N LYS A 38 0.775 -4.610 -2.909 1.00 0.00 N ATOM 255 CA LYS A 38 1.501 -5.615 -2.140 1.00 0.00 C ATOM 256 C LYS A 38 2.278 -6.549 -3.062 1.00 0.00 C ATOM 257 O LYS A 38 1.850 -6.830 -4.180 1.00 0.00 O ATOM 258 CB LYS A 38 0.531 -6.424 -1.277 1.00 0.00 C ATOM 259 CG LYS A 38 1.206 -7.161 -0.132 1.00 0.00 C ATOM 260 CD LYS A 38 0.248 -8.120 0.555 1.00 0.00 C ATOM 261 CE LYS A 38 -0.494 -7.443 1.698 1.00 0.00 C ATOM 262 NZ LYS A 38 -1.278 -8.418 2.504 1.00 0.00 N ATOM 0 H LYS A 38 -0.164 -4.892 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 38 2.211 -5.099 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.226 -5.754 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.012 -7.146 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.066 -7.713 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.584 -6.440 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.470 -8.501 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.802 -8.978 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.221 -6.931 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.163 -6.682 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.822 -7.910 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.930 -8.937 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.630 -9.089 2.963 1.00 0.00 H new ATOM 272 N ASN A 39 3.423 -7.026 -2.585 1.00 0.00 N ATOM 273 CA ASN A 39 4.259 -7.930 -3.366 1.00 0.00 C ATOM 274 C ASN A 39 3.450 -9.120 -3.872 1.00 0.00 C ATOM 275 O ASN A 39 3.748 -9.686 -4.923 1.00 0.00 O ATOM 276 CB ASN A 39 5.440 -8.422 -2.526 1.00 0.00 C ATOM 277 CG ASN A 39 4.999 -9.295 -1.367 1.00 0.00 C ATOM 278 OD1 ASN A 39 4.712 -8.800 -0.277 1.00 0.00 O ATOM 279 ND2 ASN A 39 4.945 -10.601 -1.597 1.00 0.00 N ATOM 0 H ASN A 39 3.793 -6.802 -1.661 1.00 0.00 H new ATOM 0 HA ASN A 39 4.639 -7.379 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.125 -8.984 -3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.992 -7.564 -2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.657 -11.238 -0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.192 -10.968 -2.516 1.00 0.00 H new ATOM 285 N GLY A 40 2.422 -9.494 -3.116 1.00 0.00 N ATOM 286 CA GLY A 40 1.584 -10.614 -3.504 1.00 0.00 C ATOM 287 C GLY A 40 0.436 -10.196 -4.399 1.00 0.00 C ATOM 288 O GLY A 40 0.533 -10.277 -5.624 1.00 0.00 O ATOM 0 H GLY A 40 2.155 -9.041 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.192 -11.357 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.187 -11.094 -2.609 1.00 0.00 H new ATOM 292 N ARG A 41 -0.657 -9.750 -3.789 1.00 0.00 N ATOM 293 CA ARG A 41 -1.831 -9.320 -4.538 1.00 0.00 C ATOM 294 C ARG A 41 -2.809 -8.573 -3.636 1.00 0.00 C ATOM 295 O ARG A 41 -2.485 -8.238 -2.496 1.00 0.00 O ATOM 296 CB ARG A 41 -2.527 -10.527 -5.172 1.00 0.00 C ATOM 297 CG ARG A 41 -3.249 -11.409 -4.170 1.00 0.00 C ATOM 298 CD ARG A 41 -3.791 -12.671 -4.826 1.00 0.00 C ATOM 299 NE ARG A 41 -4.479 -13.534 -3.869 1.00 0.00 N ATOM 300 CZ ARG A 41 -5.690 -13.280 -3.388 1.00 0.00 C ATOM 301 NH1 ARG A 41 -6.344 -12.192 -3.772 1.00 0.00 N ATOM 302 NH2 ARG A 41 -6.249 -14.113 -2.520 1.00 0.00 N ATOM 0 H ARG A 41 -0.754 -9.677 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.500 -8.643 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.243 -10.174 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.786 -11.125 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.566 -11.681 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.069 -10.852 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.479 -12.397 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.970 -13.222 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.003 -14.379 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.917 -11.549 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.274 -11.999 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.748 -14.950 -2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.180 -13.917 -2.151 1.00 0.00 H new ATOM 313 N TYR A 42 -4.003 -8.313 -4.156 1.00 0.00 N ATOM 314 CA TYR A 42 -5.027 -7.601 -3.399 1.00 0.00 C ATOM 315 C TYR A 42 -5.558 -8.463 -2.258 1.00 0.00 C ATOM 316 O TYR A 42 -6.455 -9.285 -2.451 1.00 0.00 O ATOM 317 CB TYR A 42 -6.177 -7.190 -4.319 1.00 0.00 C ATOM 318 CG TYR A 42 -5.733 -6.374 -5.514 1.00 0.00 C ATOM 319 CD1 TYR A 42 -4.740 -5.410 -5.392 1.00 0.00 C ATOM 320 CD2 TYR A 42 -6.309 -6.567 -6.764 1.00 0.00 C ATOM 321 CE1 TYR A 42 -4.333 -4.663 -6.479 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.907 -5.826 -7.857 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.919 -4.875 -7.711 1.00 0.00 C ATOM 324 OH TYR A 42 -4.515 -4.133 -8.798 1.00 0.00 O ATOM 0 H TYR A 42 -4.286 -8.584 -5.098 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.572 -6.706 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.688 -8.086 -4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.903 -6.614 -3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.279 -5.242 -4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.084 -7.309 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.560 -3.917 -6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.364 -5.990 -8.822 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.624 -4.663 -9.615 1.00 0.00 H new ATOM 333 N SER A 43 -4.999 -8.270 -1.068 1.00 0.00 N ATOM 334 CA SER A 43 -5.414 -9.032 0.104 1.00 0.00 C ATOM 335 C SER A 43 -5.279 -8.193 1.372 1.00 0.00 C ATOM 336 O SER A 43 -4.750 -8.657 2.383 1.00 0.00 O ATOM 337 CB SER A 43 -4.578 -10.308 0.232 1.00 0.00 C ATOM 338 OG SER A 43 -3.205 -10.002 0.406 1.00 0.00 O ATOM 0 H SER A 43 -4.258 -7.593 -0.890 1.00 0.00 H new ATOM 0 HA SER A 43 -6.462 -9.304 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.933 -10.896 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.707 -10.922 -0.659 1.00 0.00 H new ATOM 0 HG SER A 43 -2.692 -10.833 0.487 1.00 0.00 H new ATOM 343 N ILE A 44 -5.761 -6.957 1.310 1.00 0.00 N ATOM 344 CA ILE A 44 -5.695 -6.053 2.452 1.00 0.00 C ATOM 345 C ILE A 44 -7.090 -5.740 2.985 1.00 0.00 C ATOM 346 O ILE A 44 -8.067 -5.737 2.236 1.00 0.00 O ATOM 347 CB ILE A 44 -4.990 -4.734 2.086 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.673 -5.018 1.362 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.747 -3.899 3.335 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.959 -3.769 0.896 1.00 0.00 C ATOM 0 H ILE A 44 -6.202 -6.558 0.481 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.118 -6.561 3.225 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.636 -4.168 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.015 -5.576 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.871 -5.656 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.248 -2.970 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.700 -3.672 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.118 -4.457 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.033 -4.046 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.599 -3.220 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.729 -3.139 1.755 1.00 0.00 H new ATOM 361 N SER A 45 -7.174 -5.476 4.286 1.00 0.00 N ATOM 362 CA SER A 45 -8.448 -5.163 4.920 1.00 0.00 C ATOM 363 C SER A 45 -8.433 -3.755 5.508 1.00 0.00 C ATOM 364 O SER A 45 -7.507 -2.979 5.264 1.00 0.00 O ATOM 365 CB SER A 45 -8.760 -6.182 6.019 1.00 0.00 C ATOM 366 OG SER A 45 -10.139 -6.183 6.339 1.00 0.00 O ATOM 0 H SER A 45 -6.375 -5.473 4.920 1.00 0.00 H new ATOM 0 HA SER A 45 -9.225 -5.211 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.459 -7.177 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.177 -5.950 6.910 1.00 0.00 H new ATOM 0 HG SER A 45 -10.311 -6.844 7.042 1.00 0.00 H new ATOM 371 N ARG A 46 -9.461 -3.432 6.284 1.00 0.00 N ATOM 372 CA ARG A 46 -9.567 -2.119 6.907 1.00 0.00 C ATOM 373 C ARG A 46 -8.454 -1.912 7.931 1.00 0.00 C ATOM 374 O ARG A 46 -7.644 -0.993 7.806 1.00 0.00 O ATOM 375 CB ARG A 46 -10.932 -1.958 7.579 1.00 0.00 C ATOM 376 CG ARG A 46 -12.105 -2.216 6.648 1.00 0.00 C ATOM 377 CD ARG A 46 -13.379 -2.504 7.425 1.00 0.00 C ATOM 378 NE ARG A 46 -13.884 -1.316 8.108 1.00 0.00 N ATOM 379 CZ ARG A 46 -15.022 -1.290 8.794 1.00 0.00 C ATOM 380 NH1 ARG A 46 -15.770 -2.381 8.885 1.00 0.00 N ATOM 381 NH2 ARG A 46 -15.414 -0.170 9.389 1.00 0.00 N ATOM 0 H ARG A 46 -10.234 -4.063 6.497 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.464 -1.365 6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.994 -2.642 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.013 -0.948 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.258 -1.349 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.876 -3.060 5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.141 -2.882 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.188 -3.289 8.157 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.333 -0.459 8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.472 -3.243 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.643 -2.358 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.842 0.671 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.288 -0.151 9.915 1.00 0.00 H new ATOM 392 N THR A 47 -8.423 -2.771 8.944 1.00 0.00 N ATOM 393 CA THR A 47 -7.413 -2.682 9.991 1.00 0.00 C ATOM 394 C THR A 47 -6.011 -2.611 9.398 1.00 0.00 C ATOM 395 O THR A 47 -5.123 -1.968 9.956 1.00 0.00 O ATOM 396 CB THR A 47 -7.492 -3.884 10.952 1.00 0.00 C ATOM 397 OG1 THR A 47 -7.354 -5.107 10.219 1.00 0.00 O ATOM 398 CG2 THR A 47 -8.811 -3.887 11.709 1.00 0.00 C ATOM 0 H THR A 47 -9.086 -3.537 9.062 1.00 0.00 H new ATOM 0 HA THR A 47 -7.615 -1.767 10.548 1.00 0.00 H new ATOM 0 HB THR A 47 -6.679 -3.798 11.673 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.404 -5.866 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.843 -4.745 12.381 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.900 -2.968 12.289 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.637 -3.950 11.001 1.00 0.00 H new ATOM 406 N GLU A 48 -5.819 -3.277 8.263 1.00 0.00 N ATOM 407 CA GLU A 48 -4.524 -3.289 7.593 1.00 0.00 C ATOM 408 C GLU A 48 -4.310 -2.003 6.801 1.00 0.00 C ATOM 409 O GLU A 48 -3.186 -1.514 6.682 1.00 0.00 O ATOM 410 CB GLU A 48 -4.416 -4.499 6.664 1.00 0.00 C ATOM 411 CG GLU A 48 -4.681 -5.825 7.357 1.00 0.00 C ATOM 412 CD GLU A 48 -4.383 -7.017 6.469 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.353 -6.989 5.764 1.00 0.00 O ATOM 414 OE2 GLU A 48 -5.179 -7.979 6.480 1.00 0.00 O ATOM 0 H GLU A 48 -6.544 -3.815 7.789 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.749 -3.358 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.123 -4.380 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.419 -4.521 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.072 -5.887 8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.724 -5.864 7.673 1.00 0.00 H new ATOM 419 N ALA A 49 -5.395 -1.461 6.260 1.00 0.00 N ATOM 420 CA ALA A 49 -5.328 -0.232 5.479 1.00 0.00 C ATOM 421 C ALA A 49 -4.728 0.906 6.298 1.00 0.00 C ATOM 422 O ALA A 49 -3.633 1.385 6.006 1.00 0.00 O ATOM 423 CB ALA A 49 -6.711 0.150 4.974 1.00 0.00 C ATOM 0 H ALA A 49 -6.332 -1.854 6.348 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.678 -0.410 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.645 1.070 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.102 -0.650 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.378 0.304 5.822 1.00 0.00 H new ATOM 429 N ALA A 50 -5.455 1.336 7.324 1.00 0.00 N ATOM 430 CA ALA A 50 -4.995 2.418 8.186 1.00 0.00 C ATOM 431 C ALA A 50 -3.582 2.151 8.694 1.00 0.00 C ATOM 432 O ALA A 50 -2.756 3.062 8.769 1.00 0.00 O ATOM 433 CB ALA A 50 -5.950 2.605 9.355 1.00 0.00 C ATOM 0 H ALA A 50 -6.365 0.952 7.579 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.976 3.335 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.594 3.416 9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.943 2.849 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.999 1.684 9.936 1.00 0.00 H new ATOM 439 N ASP A 51 -3.310 0.899 9.043 1.00 0.00 N ATOM 440 CA ASP A 51 -1.995 0.511 9.543 1.00 0.00 C ATOM 441 C ASP A 51 -0.925 0.722 8.478 1.00 0.00 C ATOM 442 O ASP A 51 0.169 1.208 8.769 1.00 0.00 O ATOM 443 CB ASP A 51 -2.007 -0.951 9.992 1.00 0.00 C ATOM 444 CG ASP A 51 -0.802 -1.306 10.840 1.00 0.00 C ATOM 445 OD1 ASP A 51 -0.666 -0.739 11.944 1.00 0.00 O ATOM 446 OD2 ASP A 51 0.005 -2.151 10.400 1.00 0.00 O ATOM 0 H ASP A 51 -3.983 0.134 8.989 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.758 1.143 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.917 -1.146 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.033 -1.597 9.115 1.00 0.00 H new ATOM 450 N LEU A 52 -1.245 0.352 7.243 1.00 0.00 N ATOM 451 CA LEU A 52 -0.310 0.499 6.133 1.00 0.00 C ATOM 452 C LEU A 52 0.020 1.968 5.890 1.00 0.00 C ATOM 453 O LEU A 52 1.188 2.352 5.828 1.00 0.00 O ATOM 454 CB LEU A 52 -0.894 -0.123 4.863 1.00 0.00 C ATOM 455 CG LEU A 52 0.117 -0.715 3.880 1.00 0.00 C ATOM 456 CD1 LEU A 52 1.068 0.360 3.380 1.00 0.00 C ATOM 457 CD2 LEU A 52 0.890 -1.853 4.531 1.00 0.00 C ATOM 0 H LEU A 52 -2.145 -0.052 6.985 1.00 0.00 H new ATOM 0 HA LEU A 52 0.611 -0.022 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.590 -0.909 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.474 0.639 4.342 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.428 -1.115 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.780 -0.080 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.500 1.142 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.607 0.791 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.605 -2.262 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.424 -1.478 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.196 -2.635 4.839 1.00 0.00 H new ATOM 468 N CYS A 53 -1.019 2.786 5.754 1.00 0.00 N ATOM 469 CA CYS A 53 -0.841 4.214 5.519 1.00 0.00 C ATOM 470 C CYS A 53 -0.047 4.858 6.651 1.00 0.00 C ATOM 471 O CYS A 53 0.945 5.547 6.416 1.00 0.00 O ATOM 472 CB CYS A 53 -2.200 4.902 5.377 1.00 0.00 C ATOM 473 SG CYS A 53 -3.265 4.188 4.084 1.00 0.00 S ATOM 0 H CYS A 53 -1.992 2.484 5.802 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.281 4.337 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.723 4.850 6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.039 5.958 5.158 1.00 0.00 H new ATOM 477 N LYS A 54 -0.491 4.628 7.882 1.00 0.00 N ATOM 478 CA LYS A 54 0.177 5.182 9.054 1.00 0.00 C ATOM 479 C LYS A 54 1.617 4.688 9.143 1.00 0.00 C ATOM 480 O LYS A 54 2.519 5.439 9.512 1.00 0.00 O ATOM 481 CB LYS A 54 -0.584 4.805 10.327 1.00 0.00 C ATOM 482 CG LYS A 54 -0.004 5.423 11.587 1.00 0.00 C ATOM 483 CD LYS A 54 -0.701 4.904 12.834 1.00 0.00 C ATOM 484 CE LYS A 54 -1.965 5.695 13.135 1.00 0.00 C ATOM 485 NZ LYS A 54 -2.562 5.312 14.445 1.00 0.00 N ATOM 0 H LYS A 54 -1.312 4.061 8.094 1.00 0.00 H new ATOM 0 HA LYS A 54 0.190 6.267 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.623 5.117 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.585 3.720 10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.061 5.201 11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.101 6.508 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.952 3.852 12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.021 4.964 13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.734 6.760 13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.694 5.530 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.421 5.874 14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.806 4.301 14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.876 5.493 15.205 1.00 0.00 H new ATOM 495 N ALA A 55 1.825 3.420 8.803 1.00 0.00 N ATOM 496 CA ALA A 55 3.155 2.827 8.842 1.00 0.00 C ATOM 497 C ALA A 55 4.048 3.408 7.751 1.00 0.00 C ATOM 498 O ALA A 55 5.273 3.309 7.819 1.00 0.00 O ATOM 499 CB ALA A 55 3.064 1.315 8.701 1.00 0.00 C ATOM 0 H ALA A 55 1.089 2.784 8.497 1.00 0.00 H new ATOM 0 HA ALA A 55 3.603 3.065 9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.065 0.886 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.470 0.908 9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.592 1.066 7.751 1.00 0.00 H new ATOM 505 N PHE A 56 3.427 4.015 6.745 1.00 0.00 N ATOM 506 CA PHE A 56 4.166 4.611 5.639 1.00 0.00 C ATOM 507 C PHE A 56 4.137 6.135 5.723 1.00 0.00 C ATOM 508 O PHE A 56 4.172 6.825 4.706 1.00 0.00 O ATOM 509 CB PHE A 56 3.581 4.154 4.302 1.00 0.00 C ATOM 510 CG PHE A 56 4.482 4.424 3.130 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.836 4.139 3.199 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.973 4.961 1.958 1.00 0.00 C ATOM 513 CE1 PHE A 56 6.666 4.389 2.123 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.799 5.210 0.878 1.00 0.00 C ATOM 515 CZ PHE A 56 6.146 4.922 0.960 1.00 0.00 C ATOM 0 H PHE A 56 2.414 4.107 6.673 1.00 0.00 H new ATOM 0 HA PHE A 56 5.202 4.280 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.373 3.085 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.628 4.657 4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.247 3.717 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.919 5.187 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.721 4.168 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.390 5.630 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.792 5.113 0.116 1.00 0.00 H new ATOM 524 N ASN A 57 4.073 6.652 6.946 1.00 0.00 N ATOM 525 CA ASN A 57 4.038 8.093 7.166 1.00 0.00 C ATOM 526 C ASN A 57 2.947 8.746 6.320 1.00 0.00 C ATOM 527 O ASN A 57 3.184 9.751 5.652 1.00 0.00 O ATOM 528 CB ASN A 57 5.395 8.714 6.833 1.00 0.00 C ATOM 529 CG ASN A 57 5.740 9.876 7.745 1.00 0.00 C ATOM 530 OD1 ASN A 57 6.076 10.966 7.281 1.00 0.00 O ATOM 531 ND2 ASN A 57 5.657 9.649 9.051 1.00 0.00 N ATOM 0 H ASN A 57 4.044 6.094 7.800 1.00 0.00 H new ATOM 0 HA ASN A 57 3.813 8.269 8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.170 7.951 6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.390 9.057 5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.876 10.393 9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.374 8.730 9.392 1.00 0.00 H new ATOM 537 N SER A 58 1.752 8.167 6.358 1.00 0.00 N ATOM 538 CA SER A 58 0.625 8.690 5.593 1.00 0.00 C ATOM 539 C SER A 58 -0.700 8.295 6.239 1.00 0.00 C ATOM 540 O SER A 58 -0.732 7.520 7.197 1.00 0.00 O ATOM 541 CB SER A 58 0.677 8.176 4.152 1.00 0.00 C ATOM 542 OG SER A 58 2.014 7.975 3.731 1.00 0.00 O ATOM 0 H SER A 58 1.538 7.336 6.910 1.00 0.00 H new ATOM 0 HA SER A 58 0.696 9.778 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.124 7.240 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.187 8.890 3.490 1.00 0.00 H new ATOM 0 HG SER A 58 2.228 8.603 3.010 1.00 0.00 H new ATOM 547 N THR A 59 -1.793 8.832 5.707 1.00 0.00 N ATOM 548 CA THR A 59 -3.121 8.539 6.231 1.00 0.00 C ATOM 549 C THR A 59 -4.031 7.980 5.143 1.00 0.00 C ATOM 550 O THR A 59 -3.576 7.663 4.042 1.00 0.00 O ATOM 551 CB THR A 59 -3.776 9.794 6.839 1.00 0.00 C ATOM 552 OG1 THR A 59 -4.155 10.701 5.795 1.00 0.00 O ATOM 553 CG2 THR A 59 -2.826 10.488 7.802 1.00 0.00 C ATOM 0 H THR A 59 -1.785 9.472 4.913 1.00 0.00 H new ATOM 0 HA THR A 59 -2.993 7.791 7.013 1.00 0.00 H new ATOM 0 HB THR A 59 -4.663 9.484 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.572 11.496 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.311 11.371 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.562 9.804 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.923 10.787 7.270 1.00 0.00 H new ATOM 561 N LEU A 60 -5.316 7.864 5.455 1.00 0.00 N ATOM 562 CA LEU A 60 -6.291 7.343 4.502 1.00 0.00 C ATOM 563 C LEU A 60 -6.881 8.470 3.659 1.00 0.00 C ATOM 564 O LEU A 60 -7.019 9.607 4.107 1.00 0.00 O ATOM 565 CB LEU A 60 -7.408 6.604 5.238 1.00 0.00 C ATOM 566 CG LEU A 60 -6.961 5.515 6.215 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.901 5.452 7.409 1.00 0.00 C ATOM 568 CD2 LEU A 60 -6.894 4.164 5.514 1.00 0.00 C ATOM 0 H LEU A 60 -5.708 8.123 6.360 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.779 6.646 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.001 7.336 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.067 6.151 4.497 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.963 5.764 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.568 4.672 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.899 6.412 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.911 5.227 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.574 3.401 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.879 3.907 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.181 4.216 4.691 1.00 0.00 H new ATOM 579 N PRO A 61 -7.240 8.146 2.407 1.00 0.00 N ATOM 580 CA PRO A 61 -7.825 9.116 1.475 1.00 0.00 C ATOM 581 C PRO A 61 -9.236 9.529 1.878 1.00 0.00 C ATOM 582 O PRO A 61 -9.859 8.897 2.733 1.00 0.00 O ATOM 583 CB PRO A 61 -7.849 8.359 0.145 1.00 0.00 C ATOM 584 CG PRO A 61 -7.889 6.920 0.528 1.00 0.00 C ATOM 585 CD PRO A 61 -7.104 6.808 1.806 1.00 0.00 C ATOM 0 HA PRO A 61 -7.256 10.045 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.719 8.634 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.967 8.585 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.916 6.583 0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.454 6.296 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.505 6.032 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.060 6.557 1.616 1.00 0.00 H new ATOM 590 N THR A 62 -9.738 10.592 1.257 1.00 0.00 N ATOM 591 CA THR A 62 -11.075 11.089 1.552 1.00 0.00 C ATOM 592 C THR A 62 -12.033 10.806 0.400 1.00 0.00 C ATOM 593 O THR A 62 -11.690 10.093 -0.543 1.00 0.00 O ATOM 594 CB THR A 62 -11.062 12.604 1.831 1.00 0.00 C ATOM 595 OG1 THR A 62 -10.866 13.325 0.610 1.00 0.00 O ATOM 596 CG2 THR A 62 -9.964 12.963 2.820 1.00 0.00 C ATOM 0 H THR A 62 -9.238 11.125 0.546 1.00 0.00 H new ATOM 0 HA THR A 62 -11.417 10.565 2.444 1.00 0.00 H new ATOM 0 HB THR A 62 -12.023 12.879 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.924 14.287 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.975 14.038 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.133 12.435 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.996 12.674 2.410 1.00 0.00 H new ATOM 604 N MET A 63 -13.235 11.366 0.485 1.00 0.00 N ATOM 605 CA MET A 63 -14.243 11.173 -0.553 1.00 0.00 C ATOM 606 C MET A 63 -13.971 12.080 -1.749 1.00 0.00 C ATOM 607 O MET A 63 -14.019 11.639 -2.897 1.00 0.00 O ATOM 608 CB MET A 63 -15.640 11.449 0.006 1.00 0.00 C ATOM 609 CG MET A 63 -16.190 10.314 0.852 1.00 0.00 C ATOM 610 SD MET A 63 -16.886 8.980 -0.142 1.00 0.00 S ATOM 611 CE MET A 63 -18.257 8.467 0.891 1.00 0.00 C ATOM 0 H MET A 63 -13.535 11.957 1.261 1.00 0.00 H new ATOM 0 HA MET A 63 -14.192 10.137 -0.887 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.609 12.358 0.607 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.323 11.638 -0.822 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.394 9.916 1.481 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.959 10.703 1.520 1.00 0.00 H new ATOM 0 HE1 MET A 63 -18.403 7.391 0.795 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.041 8.712 1.931 1.00 0.00 H new ATOM 0 HE3 MET A 63 -19.163 8.985 0.577 1.00 0.00 H new ATOM 619 N ALA A 64 -13.687 13.348 -1.472 1.00 0.00 N ATOM 620 CA ALA A 64 -13.407 14.316 -2.524 1.00 0.00 C ATOM 621 C ALA A 64 -12.027 14.086 -3.130 1.00 0.00 C ATOM 622 O ALA A 64 -11.836 14.240 -4.336 1.00 0.00 O ATOM 623 CB ALA A 64 -13.518 15.734 -1.982 1.00 0.00 C ATOM 0 H ALA A 64 -13.645 13.729 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.148 14.181 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.306 16.446 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.527 15.901 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.801 15.871 -1.173 1.00 0.00 H new ATOM 629 N GLN A 65 -11.070 13.716 -2.285 1.00 0.00 N ATOM 630 CA GLN A 65 -9.706 13.466 -2.739 1.00 0.00 C ATOM 631 C GLN A 65 -9.693 12.498 -3.917 1.00 0.00 C ATOM 632 O GLN A 65 -8.941 12.678 -4.873 1.00 0.00 O ATOM 633 CB GLN A 65 -8.861 12.906 -1.594 1.00 0.00 C ATOM 634 CG GLN A 65 -8.270 13.977 -0.693 1.00 0.00 C ATOM 635 CD GLN A 65 -7.369 14.938 -1.441 1.00 0.00 C ATOM 636 OE1 GLN A 65 -7.759 16.067 -1.744 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.155 14.496 -1.745 1.00 0.00 N ATOM 0 H GLN A 65 -11.213 13.583 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.279 14.414 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.477 12.237 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.052 12.306 -2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.078 14.536 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.702 13.501 0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.873 13.554 -1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.504 15.099 -2.249 1.00 0.00 H new ATOM 644 N MET A 66 -10.532 11.468 -3.841 1.00 0.00 N ATOM 645 CA MET A 66 -10.618 10.472 -4.901 1.00 0.00 C ATOM 646 C MET A 66 -11.165 11.090 -6.185 1.00 0.00 C ATOM 647 O MET A 66 -10.549 10.988 -7.246 1.00 0.00 O ATOM 648 CB MET A 66 -11.506 9.306 -4.465 1.00 0.00 C ATOM 649 CG MET A 66 -10.960 8.543 -3.268 1.00 0.00 C ATOM 650 SD MET A 66 -9.437 7.656 -3.645 1.00 0.00 S ATOM 651 CE MET A 66 -9.980 6.606 -4.991 1.00 0.00 C ATOM 0 H MET A 66 -11.161 11.303 -3.055 1.00 0.00 H new ATOM 0 HA MET A 66 -9.612 10.100 -5.097 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.498 9.686 -4.222 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.625 8.617 -5.302 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.777 9.240 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.712 7.835 -2.920 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.533 5.618 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.066 6.518 -4.968 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.671 7.043 -5.941 1.00 0.00 H new ATOM 659 N GLU A 67 -12.324 11.732 -6.079 1.00 0.00 N ATOM 660 CA GLU A 67 -12.954 12.365 -7.234 1.00 0.00 C ATOM 661 C GLU A 67 -12.014 13.380 -7.877 1.00 0.00 C ATOM 662 O GLU A 67 -12.094 13.645 -9.077 1.00 0.00 O ATOM 663 CB GLU A 67 -14.257 13.051 -6.818 1.00 0.00 C ATOM 664 CG GLU A 67 -15.162 12.176 -5.969 1.00 0.00 C ATOM 665 CD GLU A 67 -16.629 12.531 -6.124 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.025 13.622 -5.662 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.378 11.720 -6.705 1.00 0.00 O ATOM 0 H GLU A 67 -12.846 11.828 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.178 11.589 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.019 13.958 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.798 13.358 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.014 11.132 -6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.877 12.273 -4.921 1.00 0.00 H new ATOM 672 N LYS A 68 -11.121 13.946 -7.070 1.00 0.00 N ATOM 673 CA LYS A 68 -10.164 14.931 -7.559 1.00 0.00 C ATOM 674 C LYS A 68 -9.050 14.260 -8.357 1.00 0.00 C ATOM 675 O LYS A 68 -8.894 14.506 -9.552 1.00 0.00 O ATOM 676 CB LYS A 68 -9.565 15.715 -6.390 1.00 0.00 C ATOM 677 CG LYS A 68 -8.949 17.042 -6.798 1.00 0.00 C ATOM 678 CD LYS A 68 -7.619 17.277 -6.103 1.00 0.00 C ATOM 679 CE LYS A 68 -7.808 17.569 -4.622 1.00 0.00 C ATOM 680 NZ LYS A 68 -6.652 18.315 -4.053 1.00 0.00 N ATOM 0 H LYS A 68 -11.041 13.739 -6.075 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.695 15.619 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.344 15.898 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.803 15.104 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.804 17.060 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.636 17.853 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.984 16.399 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.102 18.112 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.720 18.149 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.938 16.632 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.818 18.495 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.785 17.751 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.543 19.221 -4.553 1.00 0.00 H new ATOM 690 N ALA A 69 -8.280 13.408 -7.687 1.00 0.00 N ATOM 691 CA ALA A 69 -7.184 12.698 -8.334 1.00 0.00 C ATOM 692 C ALA A 69 -7.694 11.816 -9.468 1.00 0.00 C ATOM 693 O ALA A 69 -6.933 11.416 -10.350 1.00 0.00 O ATOM 694 CB ALA A 69 -6.421 11.863 -7.317 1.00 0.00 C ATOM 0 H ALA A 69 -8.395 13.193 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.507 13.439 -8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.606 11.339 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.015 12.514 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.095 11.137 -6.863 1.00 0.00 H new ATOM 700 N LEU A 70 -8.989 11.514 -9.440 1.00 0.00 N ATOM 701 CA LEU A 70 -9.601 10.677 -10.466 1.00 0.00 C ATOM 702 C LEU A 70 -9.227 11.164 -11.861 1.00 0.00 C ATOM 703 O LEU A 70 -8.635 10.425 -12.649 1.00 0.00 O ATOM 704 CB LEU A 70 -11.123 10.673 -10.306 1.00 0.00 C ATOM 705 CG LEU A 70 -11.904 9.853 -11.334 1.00 0.00 C ATOM 706 CD1 LEU A 70 -13.187 9.316 -10.723 1.00 0.00 C ATOM 707 CD2 LEU A 70 -12.207 10.693 -12.566 1.00 0.00 C ATOM 0 H LEU A 70 -9.634 11.836 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.225 9.661 -10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.363 10.296 -9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.476 11.704 -10.349 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.289 9.006 -11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.730 8.735 -11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.946 8.679 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.807 10.148 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.763 10.094 -13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.802 11.559 -12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.273 11.028 -13.017 1.00 0.00 H new ATOM 718 N SER A 71 -9.571 12.412 -12.160 1.00 0.00 N ATOM 719 CA SER A 71 -9.273 12.997 -13.462 1.00 0.00 C ATOM 720 C SER A 71 -7.780 13.286 -13.597 1.00 0.00 C ATOM 721 O SER A 71 -7.298 13.626 -14.679 1.00 0.00 O ATOM 722 CB SER A 71 -10.073 14.286 -13.661 1.00 0.00 C ATOM 723 OG SER A 71 -9.897 14.800 -14.970 1.00 0.00 O ATOM 0 H SER A 71 -10.057 13.038 -11.518 1.00 0.00 H new ATOM 0 HA SER A 71 -9.559 12.279 -14.230 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.131 14.092 -13.482 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.757 15.030 -12.930 1.00 0.00 H new ATOM 0 HG SER A 71 -9.064 14.450 -15.350 1.00 0.00 H new ATOM 728 N ILE A 72 -7.055 13.148 -12.494 1.00 0.00 N ATOM 729 CA ILE A 72 -5.618 13.391 -12.489 1.00 0.00 C ATOM 730 C ILE A 72 -4.845 12.134 -12.873 1.00 0.00 C ATOM 731 O ILE A 72 -3.732 12.211 -13.392 1.00 0.00 O ATOM 732 CB ILE A 72 -5.133 13.876 -11.109 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.867 15.158 -10.707 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.629 14.104 -11.126 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.433 15.709 -9.369 1.00 0.00 C ATOM 0 H ILE A 72 -7.439 12.869 -11.591 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.429 14.171 -13.227 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.356 13.105 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.703 15.916 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.938 14.960 -10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.302 14.446 -10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.122 13.171 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.384 14.858 -11.874 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.995 16.617 -9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.622 14.969 -8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.368 15.940 -9.399 1.00 0.00 H new ATOM 746 N GLY A 73 -5.444 10.976 -12.613 1.00 0.00 N ATOM 747 CA GLY A 73 -4.799 9.717 -12.940 1.00 0.00 C ATOM 748 C GLY A 73 -4.988 8.671 -11.861 1.00 0.00 C ATOM 749 O GLY A 73 -4.017 8.131 -11.332 1.00 0.00 O ATOM 0 H GLY A 73 -6.364 10.887 -12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.200 9.340 -13.881 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.733 9.887 -13.094 1.00 0.00 H new ATOM 753 N PHE A 74 -6.244 8.384 -11.531 1.00 0.00 N ATOM 754 CA PHE A 74 -6.558 7.398 -10.505 1.00 0.00 C ATOM 755 C PHE A 74 -7.544 6.359 -11.032 1.00 0.00 C ATOM 756 O PHE A 74 -8.541 6.047 -10.380 1.00 0.00 O ATOM 757 CB PHE A 74 -7.138 8.084 -9.266 1.00 0.00 C ATOM 758 CG PHE A 74 -6.722 7.441 -7.974 1.00 0.00 C ATOM 759 CD1 PHE A 74 -7.451 6.386 -7.446 1.00 0.00 C ATOM 760 CD2 PHE A 74 -5.605 7.888 -7.289 1.00 0.00 C ATOM 761 CE1 PHE A 74 -7.071 5.792 -6.256 1.00 0.00 C ATOM 762 CE2 PHE A 74 -5.221 7.298 -6.100 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.954 6.247 -5.583 1.00 0.00 C ATOM 0 H PHE A 74 -7.060 8.821 -11.960 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.633 6.891 -10.231 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.826 9.128 -9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.226 8.077 -9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.324 6.025 -7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.027 8.708 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.648 4.973 -5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.349 7.658 -5.575 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.654 5.783 -4.655 1.00 0.00 H new ATOM 772 N GLU A 75 -7.260 5.830 -12.219 1.00 0.00 N ATOM 773 CA GLU A 75 -8.123 4.828 -12.833 1.00 0.00 C ATOM 774 C GLU A 75 -7.866 3.448 -12.239 1.00 0.00 C ATOM 775 O GLU A 75 -6.733 2.962 -12.235 1.00 0.00 O ATOM 776 CB GLU A 75 -7.902 4.793 -14.347 1.00 0.00 C ATOM 777 CG GLU A 75 -6.495 4.377 -14.747 1.00 0.00 C ATOM 778 CD GLU A 75 -6.208 4.631 -16.214 1.00 0.00 C ATOM 779 OE1 GLU A 75 -7.150 4.989 -16.950 1.00 0.00 O ATOM 780 OE2 GLU A 75 -5.040 4.468 -16.626 1.00 0.00 O ATOM 0 H GLU A 75 -6.440 6.079 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.158 5.104 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.617 4.103 -14.794 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.111 5.780 -14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.772 4.922 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.358 3.317 -14.532 1.00 0.00 H new ATOM 785 N THR A 76 -8.923 2.819 -11.735 1.00 0.00 N ATOM 786 CA THR A 76 -8.812 1.496 -11.134 1.00 0.00 C ATOM 787 C THR A 76 -10.188 0.885 -10.894 1.00 0.00 C ATOM 788 O THR A 76 -11.087 1.542 -10.372 1.00 0.00 O ATOM 789 CB THR A 76 -8.043 1.546 -9.800 1.00 0.00 C ATOM 790 OG1 THR A 76 -8.194 0.305 -9.103 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.546 2.689 -8.930 1.00 0.00 C ATOM 0 H THR A 76 -9.867 3.205 -11.731 1.00 0.00 H new ATOM 0 HA THR A 76 -8.259 0.874 -11.838 1.00 0.00 H new ATOM 0 HB THR A 76 -6.988 1.713 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.111 0.459 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.989 2.705 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.404 3.634 -9.453 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.606 2.547 -8.720 1.00 0.00 H new ATOM 799 N CYS A 77 -10.343 -0.379 -11.277 1.00 0.00 N ATOM 800 CA CYS A 77 -11.610 -1.080 -11.102 1.00 0.00 C ATOM 801 C CYS A 77 -11.565 -1.985 -9.875 1.00 0.00 C ATOM 802 O CYS A 77 -12.314 -2.956 -9.781 1.00 0.00 O ATOM 803 CB CYS A 77 -11.934 -1.907 -12.348 1.00 0.00 C ATOM 804 SG CYS A 77 -12.752 -0.964 -13.675 1.00 0.00 S ATOM 0 H CYS A 77 -9.608 -0.938 -11.710 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.392 -0.336 -10.954 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -11.010 -2.335 -12.737 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -12.575 -2.741 -12.061 1.00 0.00 H new ATOM 808 N ARG A 78 -10.681 -1.658 -8.938 1.00 0.00 N ATOM 809 CA ARG A 78 -10.538 -2.441 -7.717 1.00 0.00 C ATOM 810 C ARG A 78 -10.914 -1.612 -6.491 1.00 0.00 C ATOM 811 O ARG A 78 -10.420 -0.499 -6.308 1.00 0.00 O ATOM 812 CB ARG A 78 -9.104 -2.954 -7.578 1.00 0.00 C ATOM 813 CG ARG A 78 -8.542 -3.543 -8.862 1.00 0.00 C ATOM 814 CD ARG A 78 -7.633 -2.556 -9.579 1.00 0.00 C ATOM 815 NE ARG A 78 -6.699 -3.226 -10.480 1.00 0.00 N ATOM 816 CZ ARG A 78 -5.841 -2.580 -11.261 1.00 0.00 C ATOM 817 NH1 ARG A 78 -5.798 -1.257 -11.251 1.00 0.00 N ATOM 818 NH2 ARG A 78 -5.022 -3.261 -12.054 1.00 0.00 N ATOM 0 H ARG A 78 -10.053 -0.856 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.216 -3.292 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.463 -2.134 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.072 -3.712 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.985 -4.452 -8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.362 -3.829 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.240 -1.850 -10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.075 -1.977 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.706 -4.246 -10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.425 -0.731 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.138 -0.764 -11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.052 -4.281 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.363 -2.765 -12.654 1.00 0.00 H new ATOM 829 N TYR A 79 -11.790 -2.162 -5.658 1.00 0.00 N ATOM 830 CA TYR A 79 -12.233 -1.472 -4.451 1.00 0.00 C ATOM 831 C TYR A 79 -11.041 -0.989 -3.630 1.00 0.00 C ATOM 832 O TYR A 79 -10.084 -1.729 -3.412 1.00 0.00 O ATOM 833 CB TYR A 79 -13.111 -2.396 -3.604 1.00 0.00 C ATOM 834 CG TYR A 79 -14.271 -2.994 -4.365 1.00 0.00 C ATOM 835 CD1 TYR A 79 -15.142 -2.188 -5.089 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.497 -4.365 -4.361 1.00 0.00 C ATOM 837 CE1 TYR A 79 -16.205 -2.731 -5.784 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.557 -4.917 -5.056 1.00 0.00 C ATOM 839 CZ TYR A 79 -16.408 -4.095 -5.766 1.00 0.00 C ATOM 840 OH TYR A 79 -17.465 -4.639 -6.459 1.00 0.00 O ATOM 0 H TYR A 79 -12.207 -3.082 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.817 -0.603 -4.753 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.496 -3.202 -3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.496 -1.836 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.985 -1.120 -5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.833 -5.011 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.874 -2.090 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.718 -5.985 -5.043 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.465 -5.612 -6.344 1.00 0.00 H new ATOM 849 N GLY A 80 -11.109 0.260 -3.179 1.00 0.00 N ATOM 850 CA GLY A 80 -10.030 0.821 -2.387 1.00 0.00 C ATOM 851 C GLY A 80 -10.446 1.097 -0.955 1.00 0.00 C ATOM 852 O GLY A 80 -11.588 0.840 -0.572 1.00 0.00 O ATOM 0 H GLY A 80 -11.891 0.893 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.185 0.133 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.688 1.748 -2.848 1.00 0.00 H new ATOM 856 N PHE A 81 -9.517 1.620 -0.162 1.00 0.00 N ATOM 857 CA PHE A 81 -9.792 1.928 1.238 1.00 0.00 C ATOM 858 C PHE A 81 -9.645 3.423 1.504 1.00 0.00 C ATOM 859 O PHE A 81 -8.694 4.056 1.045 1.00 0.00 O ATOM 860 CB PHE A 81 -8.848 1.141 2.149 1.00 0.00 C ATOM 861 CG PHE A 81 -9.364 -0.222 2.510 1.00 0.00 C ATOM 862 CD1 PHE A 81 -10.550 -0.367 3.209 1.00 0.00 C ATOM 863 CD2 PHE A 81 -8.660 -1.361 2.152 1.00 0.00 C ATOM 864 CE1 PHE A 81 -11.028 -1.621 3.543 1.00 0.00 C ATOM 865 CE2 PHE A 81 -9.131 -2.617 2.482 1.00 0.00 C ATOM 866 CZ PHE A 81 -10.317 -2.747 3.180 1.00 0.00 C ATOM 0 H PHE A 81 -8.568 1.840 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 81 -10.820 1.638 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.882 1.036 1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.678 1.711 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.109 0.511 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.732 -1.265 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -11.956 -1.719 4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.573 -3.496 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.687 -3.728 3.441 1.00 0.00 H new ATOM 875 N ILE A 82 -10.594 3.981 2.248 1.00 0.00 N ATOM 876 CA ILE A 82 -10.571 5.402 2.576 1.00 0.00 C ATOM 877 C ILE A 82 -10.880 5.630 4.051 1.00 0.00 C ATOM 878 O ILE A 82 -10.915 4.686 4.842 1.00 0.00 O ATOM 879 CB ILE A 82 -11.581 6.193 1.723 1.00 0.00 C ATOM 880 CG1 ILE A 82 -13.012 5.841 2.131 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.360 5.911 0.245 1.00 0.00 C ATOM 882 CD1 ILE A 82 -14.066 6.570 1.327 1.00 0.00 C ATOM 0 H ILE A 82 -11.388 3.471 2.635 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.565 5.760 2.358 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.426 7.258 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.159 4.767 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.148 6.073 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.081 6.477 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.349 6.208 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.491 4.846 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.057 6.272 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.945 7.645 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.957 6.319 0.272 1.00 0.00 H new ATOM 893 N GLU A 83 -11.106 6.889 4.415 1.00 0.00 N ATOM 894 CA GLU A 83 -11.414 7.240 5.796 1.00 0.00 C ATOM 895 C GLU A 83 -12.432 6.272 6.391 1.00 0.00 C ATOM 896 O GLU A 83 -12.181 5.644 7.419 1.00 0.00 O ATOM 897 CB GLU A 83 -11.946 8.672 5.875 1.00 0.00 C ATOM 898 CG GLU A 83 -12.056 9.204 7.294 1.00 0.00 C ATOM 899 CD GLU A 83 -12.730 10.560 7.358 1.00 0.00 C ATOM 900 OE1 GLU A 83 -13.848 10.693 6.816 1.00 0.00 O ATOM 901 OE2 GLU A 83 -12.141 11.489 7.951 1.00 0.00 O ATOM 0 H GLU A 83 -11.082 7.681 3.773 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.493 7.170 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.290 9.326 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.928 8.712 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.618 8.494 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.059 9.277 7.729 1.00 0.00 H new ATOM 906 N GLY A 84 -13.583 6.156 5.735 1.00 0.00 N ATOM 907 CA GLY A 84 -14.623 5.264 6.212 1.00 0.00 C ATOM 908 C GLY A 84 -15.624 4.910 5.131 1.00 0.00 C ATOM 909 O GLY A 84 -16.795 5.285 5.210 1.00 0.00 O ATOM 0 H GLY A 84 -13.813 6.664 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.167 4.351 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.145 5.733 7.046 1.00 0.00 H new ATOM 913 N HIS A 85 -15.164 4.184 4.116 1.00 0.00 N ATOM 914 CA HIS A 85 -16.027 3.781 3.012 1.00 0.00 C ATOM 915 C HIS A 85 -15.247 2.974 1.978 1.00 0.00 C ATOM 916 O HIS A 85 -14.065 2.684 2.166 1.00 0.00 O ATOM 917 CB HIS A 85 -16.654 5.007 2.351 1.00 0.00 C ATOM 918 CG HIS A 85 -18.118 5.155 2.629 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.656 6.252 3.271 1.00 0.00 N ATOM 920 CD2 HIS A 85 -19.161 4.339 2.345 1.00 0.00 C ATOM 921 CE1 HIS A 85 -19.964 6.102 3.373 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.297 4.949 2.819 1.00 0.00 N ATOM 0 H HIS A 85 -14.199 3.863 4.036 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.820 3.151 3.416 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.135 5.901 2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.502 4.946 1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.109 3.386 1.840 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.646 6.803 3.831 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -21.243 4.573 2.754 1.00 0.00 H new ATOM 929 N VAL A 86 -15.916 2.613 0.888 1.00 0.00 N ATOM 930 CA VAL A 86 -15.284 1.841 -0.175 1.00 0.00 C ATOM 931 C VAL A 86 -15.528 2.480 -1.538 1.00 0.00 C ATOM 932 O VAL A 86 -16.500 2.157 -2.221 1.00 0.00 O ATOM 933 CB VAL A 86 -15.803 0.391 -0.200 1.00 0.00 C ATOM 934 CG1 VAL A 86 -15.081 -0.417 -1.267 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.645 -0.255 1.168 1.00 0.00 C ATOM 0 H VAL A 86 -16.895 2.843 0.718 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.214 1.833 0.033 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.864 0.408 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.461 -1.439 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.251 0.036 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.012 -0.428 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -16.017 -1.279 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.592 -0.261 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -16.213 0.312 1.906 1.00 0.00 H new ATOM 945 N VAL A 87 -14.639 3.387 -1.927 1.00 0.00 N ATOM 946 CA VAL A 87 -14.755 4.071 -3.210 1.00 0.00 C ATOM 947 C VAL A 87 -14.069 3.283 -4.319 1.00 0.00 C ATOM 948 O VAL A 87 -13.343 2.323 -4.053 1.00 0.00 O ATOM 949 CB VAL A 87 -14.150 5.485 -3.151 1.00 0.00 C ATOM 950 CG1 VAL A 87 -14.840 6.318 -2.079 1.00 0.00 C ATOM 951 CG2 VAL A 87 -12.652 5.411 -2.896 1.00 0.00 C ATOM 0 H VAL A 87 -13.830 3.666 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 87 -15.820 4.149 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.310 5.971 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -14.399 7.314 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.903 6.398 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -14.713 5.839 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.239 6.419 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.469 4.907 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.173 4.854 -3.701 1.00 0.00 H new ATOM 961 N ILE A 88 -14.301 3.692 -5.561 1.00 0.00 N ATOM 962 CA ILE A 88 -13.702 3.024 -6.710 1.00 0.00 C ATOM 963 C ILE A 88 -13.910 3.833 -7.987 1.00 0.00 C ATOM 964 O ILE A 88 -14.810 3.563 -8.782 1.00 0.00 O ATOM 965 CB ILE A 88 -14.287 1.614 -6.909 1.00 0.00 C ATOM 966 CG1 ILE A 88 -13.743 0.990 -8.196 1.00 0.00 C ATOM 967 CG2 ILE A 88 -15.807 1.669 -6.943 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.786 -0.523 -8.198 1.00 0.00 C ATOM 0 H ILE A 88 -14.900 4.483 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.635 2.941 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.985 0.990 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.319 1.363 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.713 1.317 -8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.204 0.664 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.177 2.077 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.130 2.306 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.385 -0.897 -9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.187 -0.905 -7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.817 -0.858 -8.084 1.00 0.00 H new ATOM 979 N PRO A 89 -13.058 4.848 -8.188 1.00 0.00 N ATOM 980 CA PRO A 89 -13.126 5.717 -9.367 1.00 0.00 C ATOM 981 C PRO A 89 -12.719 4.992 -10.646 1.00 0.00 C ATOM 982 O PRO A 89 -12.183 3.884 -10.599 1.00 0.00 O ATOM 983 CB PRO A 89 -12.129 6.832 -9.045 1.00 0.00 C ATOM 984 CG PRO A 89 -11.168 6.217 -8.089 1.00 0.00 C ATOM 985 CD PRO A 89 -11.962 5.228 -7.282 1.00 0.00 C ATOM 0 HA PRO A 89 -14.139 6.073 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.623 7.182 -9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.629 7.695 -8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.353 5.724 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.719 6.974 -7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.359 4.366 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.338 5.672 -6.360 1.00 0.00 H new ATOM 990 N ARG A 90 -12.976 5.622 -11.787 1.00 0.00 N ATOM 991 CA ARG A 90 -12.636 5.037 -13.077 1.00 0.00 C ATOM 992 C ARG A 90 -12.505 6.117 -14.147 1.00 0.00 C ATOM 993 O ARG A 90 -13.315 7.041 -14.212 1.00 0.00 O ATOM 994 CB ARG A 90 -13.698 4.017 -13.493 1.00 0.00 C ATOM 995 CG ARG A 90 -13.350 2.588 -13.115 1.00 0.00 C ATOM 996 CD ARG A 90 -14.227 2.083 -11.978 1.00 0.00 C ATOM 997 NE ARG A 90 -15.437 1.430 -12.470 1.00 0.00 N ATOM 998 CZ ARG A 90 -16.529 1.255 -11.732 1.00 0.00 C ATOM 999 NH1 ARG A 90 -16.560 1.683 -10.477 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -17.590 0.652 -12.249 1.00 0.00 N ATOM 0 H ARG A 90 -13.419 6.539 -11.844 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.675 4.532 -12.977 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.648 4.285 -13.031 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.841 4.074 -14.572 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.470 1.941 -13.984 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.302 2.533 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.660 1.382 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.502 2.918 -11.334 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.445 1.090 -13.432 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.745 2.147 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.399 1.548 -9.913 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -17.569 0.322 -13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.427 0.518 -11.682 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.480 5.993 -14.983 1.00 0.00 N ATOM 1012 CA ILE A 91 -11.242 6.957 -16.050 1.00 0.00 C ATOM 1013 C ILE A 91 -11.604 6.372 -17.410 1.00 0.00 C ATOM 1014 O ILE A 91 -12.614 6.741 -18.010 1.00 0.00 O ATOM 1015 CB ILE A 91 -9.774 7.420 -16.076 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -9.391 8.046 -14.733 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -9.550 8.409 -17.210 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -7.933 8.436 -14.643 1.00 0.00 C ATOM 0 H ILE A 91 -10.800 5.234 -14.942 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.880 7.817 -15.845 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.137 6.552 -16.247 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.006 8.930 -14.565 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.620 7.341 -13.934 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.507 8.727 -17.215 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.789 7.932 -18.161 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.193 9.277 -17.068 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.733 8.873 -13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.311 7.552 -14.780 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.703 9.165 -15.420 1.00 0.00 H new ATOM 1029 N HIS A 92 -10.771 5.455 -17.893 1.00 0.00 N ATOM 1030 CA HIS A 92 -11.002 4.814 -19.183 1.00 0.00 C ATOM 1031 C HIS A 92 -11.003 3.295 -19.044 1.00 0.00 C ATOM 1032 O HIS A 92 -10.136 2.600 -19.571 1.00 0.00 O ATOM 1033 CB HIS A 92 -9.935 5.246 -20.189 1.00 0.00 C ATOM 1034 CG HIS A 92 -10.220 4.804 -21.592 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -9.475 3.847 -22.246 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -11.180 5.193 -22.465 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -9.960 3.667 -23.461 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -10.996 4.472 -23.620 1.00 0.00 N ATOM 0 H HIS A 92 -9.930 5.139 -17.410 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.981 5.127 -19.546 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.848 6.332 -20.170 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.971 4.843 -19.879 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.947 5.932 -22.286 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.575 2.979 -24.199 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.566 4.546 -24.463 1.00 0.00 H new ATOM 1045 N PRO A 93 -11.998 2.767 -18.317 1.00 0.00 N ATOM 1046 CA PRO A 93 -12.137 1.326 -18.091 1.00 0.00 C ATOM 1047 C PRO A 93 -12.532 0.576 -19.358 1.00 0.00 C ATOM 1048 O PRO A 93 -12.518 1.136 -20.452 1.00 0.00 O ATOM 1049 CB PRO A 93 -13.250 1.235 -17.045 1.00 0.00 C ATOM 1050 CG PRO A 93 -14.047 2.479 -17.232 1.00 0.00 C ATOM 1051 CD PRO A 93 -13.069 3.538 -17.660 1.00 0.00 C ATOM 0 HA PRO A 93 -11.199 0.871 -17.773 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.863 0.346 -17.195 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.841 1.174 -16.036 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.822 2.336 -17.985 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.550 2.763 -16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.526 4.254 -18.343 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.692 4.105 -16.809 1.00 0.00 H new ATOM 1056 N ASN A 94 -12.885 -0.697 -19.202 1.00 0.00 N ATOM 1057 CA ASN A 94 -13.284 -1.524 -20.333 1.00 0.00 C ATOM 1058 C ASN A 94 -14.499 -2.377 -19.983 1.00 0.00 C ATOM 1059 O ASN A 94 -15.036 -2.286 -18.879 1.00 0.00 O ATOM 1060 CB ASN A 94 -12.125 -2.423 -20.771 1.00 0.00 C ATOM 1061 CG ASN A 94 -11.066 -1.666 -21.548 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -11.290 -1.259 -22.689 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -9.906 -1.470 -20.933 1.00 0.00 N ATOM 0 H ASN A 94 -12.902 -1.177 -18.302 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.552 -0.862 -21.156 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.670 -2.878 -19.891 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.512 -3.235 -21.386 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.157 -0.965 -21.406 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.764 -1.825 -19.987 1.00 0.00 H new ATOM 1069 N SER A 95 -14.928 -3.205 -20.930 1.00 0.00 N ATOM 1070 CA SER A 95 -16.081 -4.073 -20.722 1.00 0.00 C ATOM 1071 C SER A 95 -15.834 -5.038 -19.565 1.00 0.00 C ATOM 1072 O SER A 95 -16.775 -5.554 -18.964 1.00 0.00 O ATOM 1073 CB SER A 95 -16.393 -4.856 -21.998 1.00 0.00 C ATOM 1074 OG SER A 95 -15.775 -6.131 -21.977 1.00 0.00 O ATOM 0 H SER A 95 -14.494 -3.293 -21.849 1.00 0.00 H new ATOM 0 HA SER A 95 -16.937 -3.446 -20.471 1.00 0.00 H new ATOM 0 HB2 SER A 95 -17.472 -4.973 -22.102 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.048 -4.295 -22.866 1.00 0.00 H new ATOM 0 HG SER A 95 -15.991 -6.613 -22.803 1.00 0.00 H new ATOM 1079 N ILE A 96 -14.563 -5.275 -19.264 1.00 0.00 N ATOM 1080 CA ILE A 96 -14.190 -6.177 -18.181 1.00 0.00 C ATOM 1081 C ILE A 96 -14.717 -5.673 -16.840 1.00 0.00 C ATOM 1082 O ILE A 96 -14.966 -6.457 -15.925 1.00 0.00 O ATOM 1083 CB ILE A 96 -12.663 -6.347 -18.089 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -12.091 -6.761 -19.445 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -12.307 -7.373 -17.024 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -12.551 -8.127 -19.904 1.00 0.00 C ATOM 0 H ILE A 96 -13.773 -4.855 -19.754 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.641 -7.144 -18.406 1.00 0.00 H new ATOM 0 HB ILE A 96 -12.223 -5.391 -17.807 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -12.377 -6.020 -20.192 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.002 -6.753 -19.389 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.224 -7.482 -16.971 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.686 -7.041 -16.058 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.756 -8.333 -17.279 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.106 -8.354 -20.873 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -12.242 -8.878 -19.177 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.637 -8.134 -19.993 1.00 0.00 H new ATOM 1097 N CYS A 97 -14.884 -4.359 -16.734 1.00 0.00 N ATOM 1098 CA CYS A 97 -15.382 -3.748 -15.507 1.00 0.00 C ATOM 1099 C CYS A 97 -16.906 -3.771 -15.467 1.00 0.00 C ATOM 1100 O CYS A 97 -17.561 -3.949 -16.494 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.879 -2.307 -15.390 1.00 0.00 C ATOM 1102 SG CYS A 97 -13.070 -2.162 -15.226 1.00 0.00 S ATOM 0 H CYS A 97 -14.682 -3.697 -17.483 1.00 0.00 H new ATOM 0 HA CYS A 97 -15.006 -4.327 -14.664 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.199 -1.749 -16.270 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.350 -1.838 -14.526 1.00 0.00 H new ATOM 1106 N ALA A 98 -17.465 -3.591 -14.275 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.912 -3.589 -14.102 1.00 0.00 C ATOM 1108 C ALA A 98 -19.579 -2.615 -15.065 1.00 0.00 C ATOM 1109 O ALA A 98 -19.566 -1.404 -14.846 1.00 0.00 O ATOM 1110 CB ALA A 98 -19.271 -3.243 -12.664 1.00 0.00 C ATOM 0 H ALA A 98 -16.937 -3.445 -13.414 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.281 -4.590 -14.326 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -20.355 -3.245 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.833 -3.981 -11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.882 -2.254 -12.420 1.00 0.00 H new ATOM 1116 N ALA A 99 -20.162 -3.150 -16.133 1.00 0.00 N ATOM 1117 CA ALA A 99 -20.835 -2.327 -17.129 1.00 0.00 C ATOM 1118 C ALA A 99 -19.913 -1.226 -17.646 1.00 0.00 C ATOM 1119 O ALA A 99 -20.376 -0.176 -18.089 1.00 0.00 O ATOM 1120 CB ALA A 99 -22.105 -1.724 -16.545 1.00 0.00 C ATOM 0 H ALA A 99 -20.181 -4.151 -16.330 1.00 0.00 H new ATOM 0 HA ALA A 99 -21.103 -2.965 -17.971 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -22.598 -1.111 -17.300 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -22.777 -2.523 -16.232 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.851 -1.105 -15.685 1.00 0.00 H new ATOM 1126 N ASN A 100 -18.609 -1.476 -17.584 1.00 0.00 N ATOM 1127 CA ASN A 100 -17.624 -0.504 -18.045 1.00 0.00 C ATOM 1128 C ASN A 100 -18.011 0.908 -17.617 1.00 0.00 C ATOM 1129 O ASN A 100 -17.845 1.864 -18.374 1.00 0.00 O ATOM 1130 CB ASN A 100 -17.488 -0.569 -19.568 1.00 0.00 C ATOM 1131 CG ASN A 100 -18.755 -0.138 -20.281 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -19.624 -1.099 -20.574 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -18.950 1.044 -20.564 1.00 0.00 N flip ATOM 0 H ASN A 100 -18.210 -2.341 -17.220 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.665 -0.752 -17.590 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -16.662 0.068 -19.884 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.236 -1.587 -19.864 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.254 1.749 -20.319 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.807 1.319 -21.043 1.00 0.00 H new ATOM 1139 N ASN A 101 -18.525 1.031 -16.399 1.00 0.00 N ATOM 1140 CA ASN A 101 -18.936 2.326 -15.869 1.00 0.00 C ATOM 1141 C ASN A 101 -17.722 3.199 -15.565 1.00 0.00 C ATOM 1142 O ASN A 101 -16.609 2.699 -15.402 1.00 0.00 O ATOM 1143 CB ASN A 101 -19.774 2.141 -14.602 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.227 1.833 -14.909 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -21.679 1.990 -16.043 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -21.965 1.394 -13.897 1.00 0.00 N ATOM 0 H ASN A 101 -18.667 0.249 -15.759 1.00 0.00 H new ATOM 0 HA ASN A 101 -19.541 2.824 -16.627 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.352 1.332 -14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.717 3.046 -13.997 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.950 1.172 -14.043 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -21.547 1.279 -12.974 1.00 0.00 H new ATOM 1152 N THR A 102 -17.945 4.508 -15.489 1.00 0.00 N ATOM 1153 CA THR A 102 -16.868 5.450 -15.207 1.00 0.00 C ATOM 1154 C THR A 102 -17.271 6.428 -14.110 1.00 0.00 C ATOM 1155 O THR A 102 -18.369 6.345 -13.561 1.00 0.00 O ATOM 1156 CB THR A 102 -16.471 6.243 -16.465 1.00 0.00 C ATOM 1157 OG1 THR A 102 -17.640 6.774 -17.101 1.00 0.00 O ATOM 1158 CG2 THR A 102 -15.713 5.358 -17.444 1.00 0.00 C ATOM 0 H THR A 102 -18.860 4.939 -15.619 1.00 0.00 H new ATOM 0 HA THR A 102 -16.012 4.863 -14.873 1.00 0.00 H new ATOM 0 HB THR A 102 -15.821 7.063 -16.160 1.00 0.00 H new ATOM 0 HG1 THR A 102 -17.378 7.278 -17.899 1.00 0.00 H new ATOM 0 HG21 THR A 102 -15.442 5.939 -18.326 1.00 0.00 H new ATOM 0 HG22 THR A 102 -14.809 4.979 -16.967 1.00 0.00 H new ATOM 0 HG23 THR A 102 -16.344 4.521 -17.741 1.00 0.00 H new ATOM 1166 N GLY A 103 -16.375 7.360 -13.795 1.00 0.00 N ATOM 1167 CA GLY A 103 -16.656 8.343 -12.765 1.00 0.00 C ATOM 1168 C GLY A 103 -16.258 7.864 -11.383 1.00 0.00 C ATOM 1169 O GLY A 103 -15.265 7.154 -11.227 1.00 0.00 O ATOM 0 H GLY A 103 -15.459 7.451 -14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.124 9.266 -12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.720 8.578 -12.772 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.033 8.255 -10.377 1.00 0.00 N ATOM 1174 CA VAL A 104 -16.756 7.862 -9.001 1.00 0.00 C ATOM 1175 C VAL A 104 -17.860 6.965 -8.451 1.00 0.00 C ATOM 1176 O VAL A 104 -19.022 7.367 -8.379 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.605 9.091 -8.085 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -16.358 8.660 -6.648 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.483 9.991 -8.582 1.00 0.00 C ATOM 0 H VAL A 104 -17.858 8.844 -10.489 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.816 7.310 -9.014 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.535 9.659 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.254 9.542 -6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.198 8.060 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.444 8.068 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.390 10.854 -7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.545 9.435 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.709 10.329 -9.593 1.00 0.00 H new ATOM 1189 N TYR A 105 -17.489 5.749 -8.066 1.00 0.00 N ATOM 1190 CA TYR A 105 -18.449 4.794 -7.525 1.00 0.00 C ATOM 1191 C TYR A 105 -18.063 4.375 -6.110 1.00 0.00 C ATOM 1192 O TYR A 105 -16.907 4.507 -5.705 1.00 0.00 O ATOM 1193 CB TYR A 105 -18.537 3.561 -8.427 1.00 0.00 C ATOM 1194 CG TYR A 105 -19.914 2.939 -8.469 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -20.872 3.383 -9.371 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.257 1.906 -7.604 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -22.132 2.818 -9.413 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -21.514 1.334 -7.641 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.447 1.792 -8.545 1.00 0.00 C ATOM 1200 OH TYR A 105 -23.701 1.226 -8.583 1.00 0.00 O ATOM 0 H TYR A 105 -16.531 5.402 -8.118 1.00 0.00 H new ATOM 0 HA TYR A 105 -19.424 5.280 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.242 3.840 -9.439 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -17.821 2.816 -8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -20.628 4.185 -10.052 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -19.529 1.545 -6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -22.865 3.177 -10.120 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -21.764 0.531 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 105 -23.760 0.517 -7.909 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.038 3.872 -5.362 1.00 0.00 N ATOM 1210 CA ILE A 106 -18.802 3.432 -3.992 1.00 0.00 C ATOM 1211 C ILE A 106 -19.528 2.124 -3.702 1.00 0.00 C ATOM 1212 O ILE A 106 -20.758 2.077 -3.668 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.254 4.495 -2.974 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -18.542 5.823 -3.239 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -18.984 4.019 -1.556 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -19.108 6.981 -2.447 1.00 0.00 C ATOM 0 H ILE A 106 -20.000 3.759 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 106 -17.728 3.278 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.327 4.650 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -17.484 5.713 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -18.606 6.055 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -19.309 4.782 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -19.533 3.095 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -17.916 3.838 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -18.555 7.890 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -20.159 7.118 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.019 6.771 -1.381 1.00 0.00 H new ATOM 1227 N LEU A 107 -18.757 1.062 -3.488 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.328 -0.250 -3.197 1.00 0.00 C ATOM 1229 C LEU A 107 -19.939 -0.279 -1.800 1.00 0.00 C ATOM 1230 O LEU A 107 -19.371 0.262 -0.851 1.00 0.00 O ATOM 1231 CB LEU A 107 -18.255 -1.332 -3.320 1.00 0.00 C ATOM 1232 CG LEU A 107 -18.735 -2.774 -3.155 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -19.429 -3.256 -4.420 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -17.570 -3.688 -2.805 1.00 0.00 C ATOM 0 H LEU A 107 -17.737 1.083 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.117 -0.446 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.782 -1.237 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.485 -1.139 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.454 -2.804 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.763 -4.284 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.289 -2.620 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.733 -3.210 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.931 -4.710 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.827 -3.652 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.116 -3.358 -1.871 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.785 -9.655 0.922 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.863 -8.531 1.042 1.00 0.00 C ATOM 1308 C GLN A 113 -9.502 -7.974 -0.330 1.00 0.00 C ATOM 1309 O GLN A 113 -9.659 -8.652 -1.347 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.596 -8.961 1.780 1.00 0.00 C ATOM 1311 CG GLN A 113 -8.690 -8.810 3.291 1.00 0.00 C ATOM 1312 CD GLN A 113 -7.866 -9.844 4.033 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -6.675 -10.015 3.767 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -8.495 -10.542 4.971 1.00 0.00 N ATOM 0 HA GLN A 113 -10.359 -7.746 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.382 -10.002 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.755 -8.370 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -8.355 -7.812 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.733 -8.894 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.482 -10.369 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.991 -11.251 5.503 1.00 0.00 H new ATOM 1321 N TYR A 114 -9.020 -6.737 -0.353 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.638 -6.088 -1.602 1.00 0.00 C ATOM 1323 C TYR A 114 -7.509 -5.087 -1.373 1.00 0.00 C ATOM 1324 O TYR A 114 -6.990 -4.964 -0.264 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.845 -5.379 -2.221 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.668 -4.599 -1.220 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.378 -3.270 -0.937 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -11.736 -5.191 -0.557 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -11.127 -2.553 -0.024 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.491 -4.483 0.358 1.00 0.00 C ATOM 1331 CZ TYR A 114 -12.182 -3.165 0.621 1.00 0.00 C ATOM 1332 OH TYR A 114 -12.931 -2.455 1.531 1.00 0.00 O ATOM 0 H TYR A 114 -8.884 -6.163 0.479 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.284 -6.857 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.497 -4.701 -3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -10.482 -6.119 -2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -9.552 -2.789 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -11.980 -6.223 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.888 -1.520 0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.318 -4.959 0.864 1.00 0.00 H new ATOM 0 HH TYR A 114 -12.337 -2.041 2.192 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.134 -4.377 -2.431 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.068 -3.386 -2.347 1.00 0.00 C ATOM 1343 C ASP A 115 -6.415 -2.296 -1.339 1.00 0.00 C ATOM 1344 O ASP A 115 -7.428 -2.379 -0.643 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.811 -2.765 -3.721 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.339 -2.500 -3.972 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -3.504 -3.289 -3.483 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -4.024 -1.507 -4.659 1.00 0.00 O ATOM 0 H ASP A 115 -7.552 -4.469 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.163 -3.891 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.194 -3.431 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.364 -1.830 -3.803 1.00 0.00 H new ATOM 1352 N THR A 116 -5.569 -1.274 -1.264 1.00 0.00 N ATOM 1353 CA THR A 116 -5.786 -0.169 -0.339 1.00 0.00 C ATOM 1354 C THR A 116 -5.081 1.095 -0.818 1.00 0.00 C ATOM 1355 O THR A 116 -3.918 1.053 -1.224 1.00 0.00 O ATOM 1356 CB THR A 116 -5.287 -0.516 1.077 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.673 0.512 1.997 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.775 -0.677 1.095 1.00 0.00 C ATOM 0 H THR A 116 -4.727 -1.189 -1.833 1.00 0.00 H new ATOM 0 HA THR A 116 -6.861 0.008 -0.305 1.00 0.00 H new ATOM 0 HB THR A 116 -5.740 -1.461 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.013 0.569 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.447 -0.922 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.486 -1.479 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.306 0.254 0.777 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.789 2.217 -0.768 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.232 3.493 -1.199 1.00 0.00 C ATOM 1368 C TYR A 117 -4.928 4.388 0.000 1.00 0.00 C ATOM 1369 O TYR A 117 -5.678 4.415 0.975 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.200 4.204 -2.146 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.637 3.350 -3.316 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -5.748 2.481 -3.938 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -7.937 3.415 -3.800 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.143 1.701 -5.007 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.340 2.636 -4.870 1.00 0.00 C ATOM 1376 CZ TYR A 117 -7.439 1.782 -5.468 1.00 0.00 C ATOM 1377 OH TYR A 117 -7.838 1.006 -6.534 1.00 0.00 O ATOM 0 H TYR A 117 -6.751 2.269 -0.433 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.300 3.292 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.081 4.516 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.726 5.110 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -4.731 2.415 -3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.645 4.084 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -5.440 1.031 -5.479 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.355 2.697 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 117 -8.684 0.562 -6.317 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.821 5.118 -0.082 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.416 6.014 0.994 1.00 0.00 C ATOM 1388 C CYS A 118 -3.295 7.450 0.489 1.00 0.00 C ATOM 1389 O CYS A 118 -3.340 7.702 -0.714 1.00 0.00 O ATOM 1390 CB CYS A 118 -2.083 5.558 1.591 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.151 3.930 2.403 1.00 0.00 S ATOM 0 H CYS A 118 -3.189 5.107 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.183 5.982 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.334 5.526 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.749 6.300 2.316 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.139 8.387 1.420 1.00 0.00 N ATOM 1396 CA PHE A 119 -3.013 9.797 1.071 1.00 0.00 C ATOM 1397 C PHE A 119 -1.869 10.447 1.843 1.00 0.00 C ATOM 1398 O PHE A 119 -1.688 10.198 3.033 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.322 10.536 1.359 1.00 0.00 C ATOM 1400 CG PHE A 119 -4.212 12.027 1.219 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.718 12.593 0.056 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -4.604 12.863 2.253 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.615 13.964 -0.075 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -4.504 14.236 2.128 1.00 0.00 C ATOM 1405 CZ PHE A 119 -4.010 14.787 0.963 1.00 0.00 C ATOM 0 H PHE A 119 -3.097 8.195 2.421 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.794 9.863 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.093 10.171 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.650 10.297 2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.409 11.955 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.992 12.437 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.226 14.392 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -4.812 14.877 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.932 15.859 0.863 1.00 0.00 H new ATOM 1414 N ASN A 120 -1.098 11.284 1.153 1.00 0.00 N ATOM 1415 CA ASN A 120 0.029 11.970 1.773 1.00 0.00 C ATOM 1416 C ASN A 120 -0.035 13.470 1.507 1.00 0.00 C ATOM 1417 O ASN A 120 0.314 13.935 0.423 1.00 0.00 O ATOM 1418 CB ASN A 120 1.350 11.404 1.246 1.00 0.00 C ATOM 1419 CG ASN A 120 2.300 11.020 2.363 1.00 0.00 C ATOM 1420 OD1 ASN A 120 2.937 9.967 2.317 1.00 0.00 O ATOM 1421 ND2 ASN A 120 2.401 11.875 3.375 1.00 0.00 N ATOM 0 H ASN A 120 -1.234 11.502 0.166 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.026 11.806 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.147 10.529 0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.829 12.143 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.025 11.670 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.854 12.736 3.372 1.00 0.00 H new ATOM 1427 N ALA A 121 -0.483 14.224 2.506 1.00 0.00 N ATOM 1428 CA ALA A 121 -0.590 15.673 2.382 1.00 0.00 C ATOM 1429 C ALA A 121 0.788 16.324 2.340 1.00 0.00 C ATOM 1430 O ALA A 121 0.916 17.511 2.043 1.00 0.00 O ATOM 1431 CB ALA A 121 -1.410 16.241 3.531 1.00 0.00 C ATOM 0 H ALA A 121 -0.778 13.855 3.410 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.096 15.896 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.482 17.324 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.410 15.807 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.926 15.999 4.477 1.00 0.00 H new ATOM 1437 N SER A 122 1.818 15.538 2.639 1.00 0.00 N ATOM 1438 CA SER A 122 3.186 16.041 2.641 1.00 0.00 C ATOM 1439 C SER A 122 3.507 16.747 1.326 1.00 0.00 C ATOM 1440 O SER A 122 3.760 17.951 1.301 1.00 0.00 O ATOM 1441 CB SER A 122 4.174 14.894 2.869 1.00 0.00 C ATOM 1442 OG SER A 122 5.380 15.367 3.444 1.00 0.00 O ATOM 0 H SER A 122 1.731 14.551 2.883 1.00 0.00 H new ATOM 0 HA SER A 122 3.280 16.761 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.724 14.147 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.388 14.400 1.921 1.00 0.00 H new ATOM 0 HG SER A 122 5.522 14.931 4.310 1.00 0.00 H new ATOM 1447 N ALA A 123 3.495 15.988 0.235 1.00 0.00 N ATOM 1448 CA ALA A 123 3.782 16.539 -1.083 1.00 0.00 C ATOM 1449 C ALA A 123 2.708 17.533 -1.506 1.00 0.00 C ATOM 1450 O ALA A 123 1.577 17.509 -1.020 1.00 0.00 O ATOM 1451 CB ALA A 123 3.903 15.421 -2.108 1.00 0.00 C ATOM 0 H ALA A 123 3.289 14.989 0.238 1.00 0.00 H new ATOM 0 HA ALA A 123 4.732 17.071 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.117 15.847 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.711 14.749 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.967 14.864 -2.152 1.00 0.00 H new ATOM 1457 N PRO A 124 3.065 18.432 -2.437 1.00 0.00 N ATOM 1458 CA PRO A 124 2.146 19.453 -2.948 1.00 0.00 C ATOM 1459 C PRO A 124 1.038 18.856 -3.809 1.00 0.00 C ATOM 1460 O PRO A 124 1.102 17.704 -4.235 1.00 0.00 O ATOM 1461 CB PRO A 124 3.050 20.357 -3.789 1.00 0.00 C ATOM 1462 CG PRO A 124 4.185 19.482 -4.198 1.00 0.00 C ATOM 1463 CD PRO A 124 4.396 18.519 -3.063 1.00 0.00 C ATOM 0 HA PRO A 124 1.630 19.976 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.520 20.750 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.398 21.214 -3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.955 18.952 -5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.084 20.070 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.737 17.547 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.147 18.883 -2.362 1.00 0.00 H new ATOM 1468 N PRO A 125 -0.004 19.659 -4.075 1.00 0.00 N ATOM 1469 CA PRO A 125 -1.145 19.230 -4.889 1.00 0.00 C ATOM 1470 C PRO A 125 -0.777 19.060 -6.357 1.00 0.00 C ATOM 1471 O PRO A 125 -1.088 19.914 -7.188 1.00 0.00 O ATOM 1472 CB PRO A 125 -2.151 20.373 -4.718 1.00 0.00 C ATOM 1473 CG PRO A 125 -1.318 21.564 -4.388 1.00 0.00 C ATOM 1474 CD PRO A 125 -0.148 21.046 -3.599 1.00 0.00 C ATOM 0 HA PRO A 125 -1.526 18.258 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.727 20.533 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.865 20.157 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.984 22.070 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.888 22.290 -3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.753 21.631 -3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -0.337 21.085 -2.526 1.00 0.00 H new ATOM 1479 N GLU A 126 -0.114 17.952 -6.672 1.00 0.00 N ATOM 1480 CA GLU A 126 0.297 17.670 -8.044 1.00 0.00 C ATOM 1481 C GLU A 126 0.638 16.193 -8.217 1.00 0.00 C ATOM 1482 O GLU A 126 0.592 15.420 -7.261 1.00 0.00 O ATOM 1483 CB GLU A 126 1.502 18.532 -8.426 1.00 0.00 C ATOM 1484 CG GLU A 126 2.628 18.492 -7.406 1.00 0.00 C ATOM 1485 CD GLU A 126 3.973 18.845 -8.008 1.00 0.00 C ATOM 1486 OE1 GLU A 126 4.317 20.046 -8.027 1.00 0.00 O ATOM 1487 OE2 GLU A 126 4.682 17.922 -8.461 1.00 0.00 O ATOM 0 H GLU A 126 0.150 17.235 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.537 17.912 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.885 18.199 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.174 19.564 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.404 19.185 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.681 17.495 -6.968 1.00 0.00 H new ATOM 1492 N GLU A 127 0.979 15.811 -9.443 1.00 0.00 N ATOM 1493 CA GLU A 127 1.327 14.427 -9.742 1.00 0.00 C ATOM 1494 C GLU A 127 2.817 14.180 -9.521 1.00 0.00 C ATOM 1495 O GLU A 127 3.548 13.852 -10.455 1.00 0.00 O ATOM 1496 CB GLU A 127 0.951 14.084 -11.186 1.00 0.00 C ATOM 1497 CG GLU A 127 1.525 15.047 -12.211 1.00 0.00 C ATOM 1498 CD GLU A 127 1.807 14.382 -13.543 1.00 0.00 C ATOM 1499 OE1 GLU A 127 2.293 13.232 -13.542 1.00 0.00 O ATOM 1500 OE2 GLU A 127 1.541 15.012 -14.587 1.00 0.00 O ATOM 0 H GLU A 127 1.022 16.440 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 127 0.765 13.784 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.298 13.076 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.135 14.075 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.827 15.870 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.447 15.478 -11.822 1.00 0.00 H new ATOM 1505 N ASP A 128 3.259 14.342 -8.279 1.00 0.00 N ATOM 1506 CA ASP A 128 4.661 14.136 -7.933 1.00 0.00 C ATOM 1507 C ASP A 128 4.961 12.653 -7.739 1.00 0.00 C ATOM 1508 O ASP A 128 4.413 12.009 -6.845 1.00 0.00 O ATOM 1509 CB ASP A 128 5.014 14.911 -6.662 1.00 0.00 C ATOM 1510 CG ASP A 128 6.312 14.440 -6.039 1.00 0.00 C ATOM 1511 OD1 ASP A 128 7.271 14.174 -6.794 1.00 0.00 O ATOM 1512 OD2 ASP A 128 6.372 14.336 -4.796 1.00 0.00 O ATOM 0 H ASP A 128 2.667 14.615 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 128 5.271 14.507 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.091 15.973 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.207 14.803 -5.938 1.00 0.00 H new ATOM 1516 N CYS A 129 5.835 12.117 -8.586 1.00 0.00 N ATOM 1517 CA CYS A 129 6.208 10.709 -8.509 1.00 0.00 C ATOM 1518 C CYS A 129 7.097 10.446 -7.296 1.00 0.00 C ATOM 1519 O CYS A 129 6.701 9.754 -6.360 1.00 0.00 O ATOM 1520 CB CYS A 129 6.932 10.282 -9.787 1.00 0.00 C ATOM 1521 SG CYS A 129 6.720 8.523 -10.209 1.00 0.00 S ATOM 0 H CYS A 129 6.297 12.636 -9.333 1.00 0.00 H new ATOM 0 HA CYS A 129 5.295 10.123 -8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 129 6.571 10.890 -10.617 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.996 10.493 -9.677 1.00 0.00 H new ATOM 1525 N THR A 130 8.303 11.007 -7.322 1.00 0.00 N ATOM 1526 CA THR A 130 9.249 10.833 -6.227 1.00 0.00 C ATOM 1527 C THR A 130 8.645 11.283 -4.901 1.00 0.00 C ATOM 1528 O THR A 130 7.678 12.045 -4.876 1.00 0.00 O ATOM 1529 CB THR A 130 10.549 11.619 -6.478 1.00 0.00 C ATOM 1530 OG1 THR A 130 10.299 13.026 -6.379 1.00 0.00 O ATOM 1531 CG2 THR A 130 11.122 11.295 -7.850 1.00 0.00 C ATOM 0 H THR A 130 8.647 11.585 -8.089 1.00 0.00 H new ATOM 0 HA THR A 130 9.480 9.769 -6.175 1.00 0.00 H new ATOM 0 HB THR A 130 11.276 11.326 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.364 13.209 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.040 11.862 -8.004 1.00 0.00 H new ATOM 0 HG22 THR A 130 11.340 10.229 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.397 11.562 -8.619 1.00 0.00 H new ATOM 1539 N SER A 131 9.220 10.807 -3.803 1.00 0.00 N ATOM 1540 CA SER A 131 8.736 11.158 -2.472 1.00 0.00 C ATOM 1541 C SER A 131 9.847 11.789 -1.638 1.00 0.00 C ATOM 1542 O SER A 131 11.026 11.698 -1.983 1.00 0.00 O ATOM 1543 CB SER A 131 8.190 9.917 -1.761 1.00 0.00 C ATOM 1544 OG SER A 131 7.849 10.210 -0.417 1.00 0.00 O ATOM 0 H SER A 131 10.022 10.177 -3.807 1.00 0.00 H new ATOM 0 HA SER A 131 7.933 11.886 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.312 9.547 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.935 9.122 -1.786 1.00 0.00 H new ATOM 0 HG SER A 131 7.357 9.455 -0.032 1.00 0.00 H new ATOM 1549 N VAL A 132 9.463 12.427 -0.537 1.00 0.00 N ATOM 1550 CA VAL A 132 10.425 13.072 0.347 1.00 0.00 C ATOM 1551 C VAL A 132 10.077 12.827 1.811 1.00 0.00 C ATOM 1552 O VAL A 132 10.486 13.581 2.694 1.00 0.00 O ATOM 1553 CB VAL A 132 10.490 14.591 0.095 1.00 0.00 C ATOM 1554 CG1 VAL A 132 11.053 14.877 -1.289 1.00 0.00 C ATOM 1555 CG2 VAL A 132 9.114 15.217 0.261 1.00 0.00 C ATOM 0 H VAL A 132 8.492 12.511 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 132 11.398 12.632 0.128 1.00 0.00 H new ATOM 0 HB VAL A 132 11.157 15.038 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 132 11.092 15.954 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 132 12.058 14.462 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 132 10.413 14.420 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 132 9.178 16.290 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 132 8.422 14.769 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.754 15.041 1.275 1.00 0.00 H new ATOM 1565 N THR A 133 9.317 11.765 2.063 1.00 0.00 N ATOM 1566 CA THR A 133 8.912 11.419 3.419 1.00 0.00 C ATOM 1567 C THR A 133 9.547 10.106 3.865 1.00 0.00 C ATOM 1568 O THR A 133 10.319 9.496 3.125 1.00 0.00 O ATOM 1569 CB THR A 133 7.380 11.300 3.536 1.00 0.00 C ATOM 1570 OG1 THR A 133 6.917 10.168 2.791 1.00 0.00 O ATOM 1571 CG2 THR A 133 6.700 12.562 3.023 1.00 0.00 C ATOM 0 H THR A 133 8.970 11.130 1.344 1.00 0.00 H new ATOM 0 HA THR A 133 9.257 12.225 4.066 1.00 0.00 H new ATOM 0 HB THR A 133 7.127 11.170 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 133 7.235 10.233 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 133 5.619 12.456 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.032 13.418 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.962 12.716 1.976 1.00 0.00 H new ATOM 1579 N ASP A 134 9.214 9.676 5.077 1.00 0.00 N ATOM 1580 CA ASP A 134 9.751 8.434 5.620 1.00 0.00 C ATOM 1581 C ASP A 134 8.836 7.876 6.706 1.00 0.00 C ATOM 1582 O ASP A 134 8.289 8.624 7.518 1.00 0.00 O ATOM 1583 CB ASP A 134 11.153 8.664 6.187 1.00 0.00 C ATOM 1584 CG ASP A 134 12.219 8.666 5.111 1.00 0.00 C ATOM 1585 OD1 ASP A 134 12.605 7.570 4.654 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.670 9.765 4.723 1.00 0.00 O ATOM 0 H ASP A 134 8.575 10.169 5.701 1.00 0.00 H new ATOM 0 HA ASP A 134 9.810 7.707 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.175 9.616 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.379 7.886 6.917 1.00 0.00 H new ATOM 1590 N LEU A 135 8.672 6.557 6.712 1.00 0.00 N ATOM 1591 CA LEU A 135 7.820 5.897 7.698 1.00 0.00 C ATOM 1592 C LEU A 135 8.159 6.365 9.110 1.00 0.00 C ATOM 1593 O LEU A 135 9.307 6.674 9.430 1.00 0.00 O ATOM 1594 CB LEU A 135 7.977 4.379 7.600 1.00 0.00 C ATOM 1595 CG LEU A 135 9.408 3.857 7.488 1.00 0.00 C ATOM 1596 CD1 LEU A 135 10.036 3.718 8.868 1.00 0.00 C ATOM 1597 CD2 LEU A 135 9.435 2.526 6.752 1.00 0.00 C ATOM 0 H LEU A 135 9.116 5.924 6.047 1.00 0.00 H new ATOM 0 HA LEU A 135 6.785 6.164 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.516 3.929 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.416 4.031 6.732 1.00 0.00 H new ATOM 0 HG LEU A 135 9.993 4.577 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 135 11.055 3.345 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.052 4.691 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.451 3.019 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.463 2.170 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.835 1.797 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.027 2.656 5.750 1.00 0.00 H new ATOM 1608 N PRO A 136 7.137 6.416 9.978 1.00 0.00 N ATOM 1609 CA PRO A 136 7.303 6.842 11.370 1.00 0.00 C ATOM 1610 C PRO A 136 8.083 5.826 12.199 1.00 0.00 C ATOM 1611 O PRO A 136 9.027 6.180 12.904 1.00 0.00 O ATOM 1612 CB PRO A 136 5.862 6.953 11.880 1.00 0.00 C ATOM 1613 CG PRO A 136 5.082 6.024 11.017 1.00 0.00 C ATOM 1614 CD PRO A 136 5.743 6.061 9.666 1.00 0.00 C ATOM 0 HA PRO A 136 7.871 7.769 11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 136 5.791 6.671 12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.491 7.975 11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.087 5.014 11.426 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.040 6.336 10.950 1.00 0.00 H new ATOM 0 HD2 PRO A 136 5.677 5.098 9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.278 6.798 9.011 1.00 0.00 H new ATOM 1708 N THR A 144 9.186 -4.356 4.214 1.00 0.00 N ATOM 1709 CA THR A 144 9.894 -3.540 3.235 1.00 0.00 C ATOM 1710 C THR A 144 8.921 -2.822 2.309 1.00 0.00 C ATOM 1711 O THR A 144 7.706 -2.998 2.412 1.00 0.00 O ATOM 1712 CB THR A 144 10.860 -4.390 2.389 1.00 0.00 C ATOM 1713 OG1 THR A 144 10.224 -5.613 2.001 1.00 0.00 O ATOM 1714 CG2 THR A 144 12.133 -4.698 3.162 1.00 0.00 C ATOM 0 HA THR A 144 10.467 -2.802 3.795 1.00 0.00 H new ATOM 0 HB THR A 144 11.125 -3.819 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.587 -5.885 2.695 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.798 -5.299 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 144 12.630 -3.766 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 144 11.884 -5.250 4.068 1.00 0.00 H new ATOM 1722 N ILE A 145 9.461 -2.012 1.404 1.00 0.00 N ATOM 1723 CA ILE A 145 8.638 -1.269 0.458 1.00 0.00 C ATOM 1724 C ILE A 145 9.388 -1.018 -0.845 1.00 0.00 C ATOM 1725 O ILE A 145 10.608 -1.172 -0.911 1.00 0.00 O ATOM 1726 CB ILE A 145 8.185 0.083 1.045 1.00 0.00 C ATOM 1727 CG1 ILE A 145 9.385 0.847 1.607 1.00 0.00 C ATOM 1728 CG2 ILE A 145 7.135 -0.135 2.126 1.00 0.00 C ATOM 1729 CD1 ILE A 145 9.354 2.329 1.303 1.00 0.00 C ATOM 0 H ILE A 145 10.464 -1.854 1.306 1.00 0.00 H new ATOM 0 HA ILE A 145 7.759 -1.881 0.257 1.00 0.00 H new ATOM 0 HB ILE A 145 7.740 0.679 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 145 9.421 0.707 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.301 0.420 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.825 0.828 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.271 -0.644 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.556 -0.746 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 145 10.235 2.807 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.349 2.479 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.456 2.770 1.735 1.00 0.00 H new ATOM 1740 N THR A 146 8.652 -0.627 -1.881 1.00 0.00 N ATOM 1741 CA THR A 146 9.249 -0.352 -3.182 1.00 0.00 C ATOM 1742 C THR A 146 8.550 0.812 -3.872 1.00 0.00 C ATOM 1743 O THR A 146 7.566 0.624 -4.588 1.00 0.00 O ATOM 1744 CB THR A 146 9.188 -1.589 -4.099 1.00 0.00 C ATOM 1745 OG1 THR A 146 9.458 -2.775 -3.343 1.00 0.00 O ATOM 1746 CG2 THR A 146 10.189 -1.469 -5.238 1.00 0.00 C ATOM 0 H THR A 146 7.641 -0.494 -1.844 1.00 0.00 H new ATOM 0 HA THR A 146 10.292 -0.091 -3.003 1.00 0.00 H new ATOM 0 HB THR A 146 8.185 -1.649 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 146 8.618 -3.136 -2.990 1.00 0.00 H new ATOM 0 HG21 THR A 146 10.127 -2.354 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 146 9.962 -0.582 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.196 -1.385 -4.830 1.00 0.00 H new ATOM 1754 N ILE A 147 9.066 2.018 -3.654 1.00 0.00 N ATOM 1755 CA ILE A 147 8.491 3.214 -4.257 1.00 0.00 C ATOM 1756 C ILE A 147 9.216 3.580 -5.548 1.00 0.00 C ATOM 1757 O ILE A 147 10.427 3.396 -5.666 1.00 0.00 O ATOM 1758 CB ILE A 147 8.546 4.414 -3.292 1.00 0.00 C ATOM 1759 CG1 ILE A 147 7.758 5.593 -3.864 1.00 0.00 C ATOM 1760 CG2 ILE A 147 9.989 4.812 -3.026 1.00 0.00 C ATOM 1761 CD1 ILE A 147 8.613 6.577 -4.630 1.00 0.00 C ATOM 0 H ILE A 147 9.880 2.192 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 147 7.449 2.986 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 147 8.090 4.123 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 147 6.978 5.212 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.259 6.116 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 147 10.012 5.661 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 147 10.522 3.972 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.469 5.089 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 147 7.988 7.386 -5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 147 9.377 6.986 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 147 9.091 6.069 -5.467 1.00 0.00 H new ATOM 1772 N VAL A 148 8.466 4.103 -6.513 1.00 0.00 N ATOM 1773 CA VAL A 148 9.036 4.499 -7.795 1.00 0.00 C ATOM 1774 C VAL A 148 9.733 5.852 -7.691 1.00 0.00 C ATOM 1775 O VAL A 148 9.096 6.870 -7.425 1.00 0.00 O ATOM 1776 CB VAL A 148 7.959 4.572 -8.891 1.00 0.00 C ATOM 1777 CG1 VAL A 148 8.600 4.694 -10.265 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.050 3.352 -8.825 1.00 0.00 C ATOM 0 H VAL A 148 7.462 4.262 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 148 9.766 3.736 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 148 7.352 5.461 -8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 148 7.822 4.744 -11.026 1.00 0.00 H new ATOM 0 HG12 VAL A 148 9.206 5.599 -10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 148 9.233 3.826 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.294 3.419 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 148 7.642 2.449 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.562 3.314 -7.851 1.00 0.00 H new