USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 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 Single : A 31 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.969 K(o=0.97,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 0.186 (180deg=-0.0325) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -170:sc= -0.878 (180deg=-1.04) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 171:sc= 1.23 USER MOD Single : A 59 SER OG : rot 170:sc= 0.128 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.00934) USER MOD Single : A 64 TYR OH : rot 0:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 28:sc= 0.248 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc=-0.00699 X(o=-0.007,f=-0.33) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 45 LYS NZ :NH3+ 130:sc= -0.185 (180deg=-1.42!) USER MOD Single : B 48 LYS NZ :NH3+ -132:sc=-0.00193 (180deg=-0.826) USER MOD Single : B 49 MET CE :methyl -162:sc= -0.21 (180deg=-0.793) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 168:sc= 1.2 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -164:sc= 0.972 (180deg=0.81) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -6.477 14.565 -13.967 1.00 0.00 N ATOM 2 CA THR A 31 -6.838 13.184 -13.593 1.00 0.00 C ATOM 3 C THR A 31 -6.266 12.769 -12.227 1.00 0.00 C ATOM 4 O THR A 31 -5.573 13.548 -11.564 1.00 0.00 O ATOM 5 CB THR A 31 -6.403 12.201 -14.700 1.00 0.00 C ATOM 6 OG1 THR A 31 -6.993 10.933 -14.540 1.00 0.00 O ATOM 7 CG2 THR A 31 -4.889 12.012 -14.813 1.00 0.00 C ATOM 0 HA THR A 31 -7.923 13.149 -13.493 1.00 0.00 H new ATOM 0 HB THR A 31 -6.753 12.671 -15.619 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.694 10.340 -15.261 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.669 11.306 -15.614 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.418 12.970 -15.034 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.499 11.625 -13.871 1.00 0.00 H new ATOM 15 N ARG A 32 -6.527 11.535 -11.786 1.00 0.00 N ATOM 16 CA ARG A 32 -6.041 10.967 -10.535 1.00 0.00 C ATOM 17 C ARG A 32 -4.562 10.538 -10.648 1.00 0.00 C ATOM 18 O ARG A 32 -4.236 9.352 -10.737 1.00 0.00 O ATOM 19 CB ARG A 32 -6.995 9.840 -10.099 1.00 0.00 C ATOM 20 CG ARG A 32 -6.803 9.427 -8.642 1.00 0.00 C ATOM 21 CD ARG A 32 -7.301 10.485 -7.652 1.00 0.00 C ATOM 22 NE ARG A 32 -8.739 10.331 -7.355 1.00 0.00 N ATOM 23 CZ ARG A 32 -9.337 10.506 -6.188 1.00 0.00 C ATOM 24 NH1 ARG A 32 -8.680 10.785 -5.096 1.00 0.00 N ATOM 25 NH2 ARG A 32 -10.635 10.409 -6.093 1.00 0.00 N ATOM 0 H ARG A 32 -7.106 10.883 -12.315 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.047 11.720 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.025 10.166 -10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.841 8.972 -10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.332 8.491 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.745 9.236 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.730 10.413 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.120 11.479 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.337 10.060 -8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.664 10.876 -5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.182 10.912 -4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.193 10.197 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.092 10.545 -5.191 1.00 0.00 H new ATOM 39 N ALA A 33 -3.671 11.529 -10.693 1.00 0.00 N ATOM 40 CA ALA A 33 -2.225 11.350 -10.580 1.00 0.00 C ATOM 41 C ALA A 33 -1.843 10.672 -9.243 1.00 0.00 C ATOM 42 O ALA A 33 -2.230 11.148 -8.171 1.00 0.00 O ATOM 43 CB ALA A 33 -1.550 12.717 -10.724 1.00 0.00 C ATOM 0 H ALA A 33 -3.944 12.505 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.879 10.689 -11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.469 12.600 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.796 13.143 -11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.904 13.382 -9.936 1.00 0.00 H new ATOM 49 N VAL A 34 -1.077 9.579 -9.297 1.00 0.00 N ATOM 50 CA VAL A 34 -0.615 8.787 -8.148 1.00 0.00 C ATOM 51 C VAL A 34 0.786 8.266 -8.432 1.00 0.00 C ATOM 52 O VAL A 34 1.023 7.549 -9.398 1.00 0.00 O ATOM 53 CB VAL A 34 -1.558 7.621 -7.783 1.00 0.00 C ATOM 54 CG1 VAL A 34 -1.077 6.938 -6.496 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.989 8.094 -7.508 1.00 0.00 C ATOM 0 H VAL A 34 -0.745 9.202 -10.185 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.610 9.449 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.548 6.944 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.749 6.117 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.069 6.550 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.071 7.661 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.613 7.237 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.986 8.798 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.387 8.584 -8.396 1.00 0.00 H new ATOM 65 N SER A 35 1.715 8.682 -7.590 1.00 0.00 N ATOM 66 CA SER A 35 3.161 8.588 -7.787 1.00 0.00 C ATOM 67 C SER A 35 3.867 7.863 -6.634 1.00 0.00 C ATOM 68 O SER A 35 3.553 8.073 -5.457 1.00 0.00 O ATOM 69 CB SER A 35 3.724 9.994 -7.980 1.00 0.00 C ATOM 70 OG SER A 35 5.104 9.949 -8.305 1.00 0.00 O ATOM 0 H SER A 35 1.474 9.119 -6.701 1.00 0.00 H new ATOM 0 HA SER A 35 3.348 7.988 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.176 10.503 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.580 10.575 -7.069 1.00 0.00 H new ATOM 0 HG SER A 35 5.442 10.861 -8.425 1.00 0.00 H new ATOM 76 N LEU A 36 4.804 6.984 -6.988 1.00 0.00 N ATOM 77 CA LEU A 36 5.443 6.008 -6.108 1.00 0.00 C ATOM 78 C LEU A 36 6.964 5.932 -6.335 1.00 0.00 C ATOM 79 O LEU A 36 7.482 6.335 -7.381 1.00 0.00 O ATOM 80 CB LEU A 36 4.809 4.622 -6.342 1.00 0.00 C ATOM 81 CG LEU A 36 3.295 4.544 -6.063 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.454 4.627 -7.339 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.964 3.218 -5.394 1.00 0.00 C ATOM 0 H LEU A 36 5.155 6.931 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 36 5.284 6.328 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.989 4.327 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.318 3.895 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 36 3.056 5.395 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.396 4.567 -7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.652 5.572 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.714 3.801 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.893 3.167 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.253 2.397 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.509 3.139 -4.453 1.00 0.00 H new ATOM 95 N TYR A 37 7.658 5.339 -5.362 1.00 0.00 N ATOM 96 CA TYR A 37 9.118 5.248 -5.286 1.00 0.00 C ATOM 97 C TYR A 37 9.575 3.786 -5.213 1.00 0.00 C ATOM 98 O TYR A 37 9.632 3.167 -4.147 1.00 0.00 O ATOM 99 CB TYR A 37 9.634 6.109 -4.126 1.00 0.00 C ATOM 100 CG TYR A 37 9.673 7.584 -4.476 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.812 8.112 -5.111 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.565 8.417 -4.225 1.00 0.00 C ATOM 103 CE1 TYR A 37 10.852 9.465 -5.483 1.00 0.00 C ATOM 104 CE2 TYR A 37 8.602 9.773 -4.609 1.00 0.00 C ATOM 105 CZ TYR A 37 9.747 10.296 -5.236 1.00 0.00 C ATOM 106 OH TYR A 37 9.790 11.606 -5.611 1.00 0.00 O ATOM 0 H TYR A 37 7.198 4.889 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 37 9.558 5.649 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.995 5.961 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.634 5.778 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.659 7.474 -5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.688 8.017 -3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.734 9.867 -5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.751 10.410 -4.422 1.00 0.00 H new ATOM 0 HH TYR A 37 8.947 12.043 -5.370 1.00 0.00 H new ATOM 116 N PHE A 38 9.797 3.217 -6.394 1.00 0.00 N ATOM 117 CA PHE A 38 10.223 1.845 -6.644 1.00 0.00 C ATOM 118 C PHE A 38 11.758 1.669 -6.534 1.00 0.00 C ATOM 119 O PHE A 38 12.508 2.643 -6.400 1.00 0.00 O ATOM 120 CB PHE A 38 9.715 1.499 -8.056 1.00 0.00 C ATOM 121 CG PHE A 38 8.280 0.997 -8.126 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.202 1.802 -7.705 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.016 -0.282 -8.654 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.881 1.330 -7.807 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.697 -0.761 -8.732 1.00 0.00 C ATOM 126 CZ PHE A 38 5.627 0.044 -8.311 1.00 0.00 C ATOM 0 H PHE A 38 9.675 3.739 -7.262 1.00 0.00 H new ATOM 0 HA PHE A 38 9.811 1.173 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.803 2.386 -8.683 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.369 0.740 -8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.391 2.786 -7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.832 -0.898 -9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.059 1.959 -7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.506 -1.752 -9.117 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.613 -0.324 -8.374 1.00 0.00 H new ATOM 136 N SER A 39 12.240 0.434 -6.671 1.00 0.00 N ATOM 137 CA SER A 39 13.663 0.072 -6.700 1.00 0.00 C ATOM 138 C SER A 39 14.011 -0.796 -7.914 1.00 0.00 C ATOM 139 O SER A 39 13.111 -1.259 -8.617 1.00 0.00 O ATOM 140 CB SER A 39 14.045 -0.631 -5.391 1.00 0.00 C ATOM 141 OG SER A 39 13.423 -1.905 -5.297 1.00 0.00 O ATOM 0 H SER A 39 11.628 -0.376 -6.769 1.00 0.00 H new ATOM 0 HA SER A 39 14.244 0.989 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.128 -0.746 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.748 -0.014 -4.543 1.00 0.00 H new ATOM 0 HG SER A 39 13.683 -2.335 -4.455 1.00 0.00 H new ATOM 147 N ASP A 40 15.308 -1.001 -8.184 1.00 0.00 N ATOM 148 CA ASP A 40 15.799 -1.698 -9.387 1.00 0.00 C ATOM 149 C ASP A 40 15.083 -3.023 -9.656 1.00 0.00 C ATOM 150 O ASP A 40 14.502 -3.187 -10.724 1.00 0.00 O ATOM 151 CB ASP A 40 17.329 -1.892 -9.318 1.00 0.00 C ATOM 152 CG ASP A 40 18.096 -0.749 -10.005 1.00 0.00 C ATOM 153 OD1 ASP A 40 18.012 -0.653 -11.254 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.756 0.056 -9.307 1.00 0.00 O ATOM 0 H ASP A 40 16.056 -0.685 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 40 15.564 -1.055 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.638 -1.958 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.594 -2.839 -9.789 1.00 0.00 H new ATOM 159 N GLU A 41 15.023 -3.927 -8.672 1.00 0.00 N ATOM 160 CA GLU A 41 14.313 -5.220 -8.786 1.00 0.00 C ATOM 161 C GLU A 41 12.846 -5.051 -9.143 1.00 0.00 C ATOM 162 O GLU A 41 12.356 -5.671 -10.082 1.00 0.00 O ATOM 163 CB GLU A 41 14.370 -5.966 -7.454 1.00 0.00 C ATOM 164 CG GLU A 41 15.794 -6.350 -7.067 1.00 0.00 C ATOM 165 CD GLU A 41 16.184 -7.716 -7.620 1.00 0.00 C ATOM 166 OE1 GLU A 41 15.492 -8.705 -7.290 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.181 -7.798 -8.371 1.00 0.00 O ATOM 0 H GLU A 41 15.467 -3.787 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 41 14.812 -5.773 -9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.939 -5.342 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.758 -6.866 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.487 -5.596 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.885 -6.358 -5.981 1.00 0.00 H new ATOM 174 N GLN A 42 12.161 -4.185 -8.402 1.00 0.00 N ATOM 175 CA GLN A 42 10.731 -3.895 -8.578 1.00 0.00 C ATOM 176 C GLN A 42 10.422 -3.298 -9.964 1.00 0.00 C ATOM 177 O GLN A 42 9.422 -3.647 -10.590 1.00 0.00 O ATOM 178 CB GLN A 42 10.239 -2.942 -7.477 1.00 0.00 C ATOM 179 CG GLN A 42 10.443 -3.491 -6.053 1.00 0.00 C ATOM 180 CD GLN A 42 10.161 -2.462 -4.975 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.817 -1.315 -5.226 1.00 0.00 O ATOM 182 NE2 GLN A 42 10.308 -2.852 -3.727 1.00 0.00 N ATOM 0 H GLN A 42 12.588 -3.651 -7.645 1.00 0.00 H new ATOM 0 HA GLN A 42 10.201 -4.845 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.763 -1.991 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.179 -2.738 -7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.791 -4.352 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.469 -3.846 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.595 -3.809 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.135 -2.197 -2.964 1.00 0.00 H new ATOM 191 N TYR A 43 11.306 -2.435 -10.468 1.00 0.00 N ATOM 192 CA TYR A 43 11.214 -1.835 -11.804 1.00 0.00 C ATOM 193 C TYR A 43 11.488 -2.860 -12.910 1.00 0.00 C ATOM 194 O TYR A 43 10.694 -3.041 -13.832 1.00 0.00 O ATOM 195 CB TYR A 43 12.239 -0.698 -11.898 1.00 0.00 C ATOM 196 CG TYR A 43 11.840 0.407 -12.853 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.994 1.444 -12.413 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.293 0.390 -14.186 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.606 2.461 -13.306 1.00 0.00 C ATOM 200 CE2 TYR A 43 11.899 1.406 -15.077 1.00 0.00 C ATOM 201 CZ TYR A 43 11.055 2.440 -14.637 1.00 0.00 C ATOM 202 OH TYR A 43 10.666 3.423 -15.497 1.00 0.00 O ATOM 0 H TYR A 43 12.126 -2.125 -9.947 1.00 0.00 H new ATOM 0 HA TYR A 43 10.200 -1.460 -11.946 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.387 -0.272 -10.906 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.197 -1.110 -12.214 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.643 1.459 -11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.943 -0.403 -14.525 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.962 3.259 -12.967 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.246 1.391 -16.100 1.00 0.00 H new ATOM 0 HH TYR A 43 11.064 3.263 -16.378 1.00 0.00 H new ATOM 212 N GLN A 44 12.604 -3.575 -12.781 1.00 0.00 N ATOM 213 CA GLN A 44 13.070 -4.571 -13.759 1.00 0.00 C ATOM 214 C GLN A 44 12.128 -5.775 -13.891 1.00 0.00 C ATOM 215 O GLN A 44 11.902 -6.259 -14.999 1.00 0.00 O ATOM 216 CB GLN A 44 14.489 -5.073 -13.445 1.00 0.00 C ATOM 217 CG GLN A 44 15.602 -4.258 -14.122 1.00 0.00 C ATOM 218 CD GLN A 44 15.918 -2.945 -13.435 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.316 -1.912 -13.696 1.00 0.00 O ATOM 220 NE2 GLN A 44 16.912 -2.942 -12.574 1.00 0.00 N ATOM 0 H GLN A 44 13.227 -3.480 -11.979 1.00 0.00 H new ATOM 0 HA GLN A 44 13.079 -4.042 -14.712 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.641 -5.051 -12.366 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.573 -6.114 -13.757 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.508 -4.863 -14.159 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.312 -4.055 -15.153 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.407 -3.809 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.188 -2.073 -12.117 1.00 0.00 H new ATOM 229 N LYS A 45 11.524 -6.243 -12.798 1.00 0.00 N ATOM 230 CA LYS A 45 10.503 -7.281 -12.825 1.00 0.00 C ATOM 231 C LYS A 45 9.218 -6.842 -13.561 1.00 0.00 C ATOM 232 O LYS A 45 8.555 -7.668 -14.191 1.00 0.00 O ATOM 233 CB LYS A 45 10.231 -7.702 -11.385 1.00 0.00 C ATOM 234 CG LYS A 45 11.304 -8.668 -10.851 1.00 0.00 C ATOM 235 CD LYS A 45 11.058 -9.034 -9.377 1.00 0.00 C ATOM 236 CE LYS A 45 11.984 -10.156 -8.879 1.00 0.00 C ATOM 237 NZ LYS A 45 13.404 -9.756 -8.813 1.00 0.00 N ATOM 0 H LYS A 45 11.736 -5.905 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 45 10.868 -8.132 -13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.193 -6.817 -10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.253 -8.179 -11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.310 -9.575 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.288 -8.211 -10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.203 -8.148 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.020 -9.344 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.657 -10.475 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.887 -11.018 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.997 -10.516 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.546 -8.887 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.670 -9.584 -7.823 1.00 0.00 H new ATOM 251 N LEU A 46 8.897 -5.543 -13.558 1.00 0.00 N ATOM 252 CA LEU A 46 7.840 -4.971 -14.406 1.00 0.00 C ATOM 253 C LEU A 46 8.265 -4.747 -15.865 1.00 0.00 C ATOM 254 O LEU A 46 7.495 -5.036 -16.781 1.00 0.00 O ATOM 255 CB LEU A 46 7.284 -3.705 -13.729 1.00 0.00 C ATOM 256 CG LEU A 46 5.926 -4.032 -13.091 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.553 -3.061 -11.977 1.00 0.00 C ATOM 258 CD2 LEU A 46 4.826 -4.000 -14.152 1.00 0.00 C ATOM 0 H LEU A 46 9.363 -4.855 -12.966 1.00 0.00 H new ATOM 0 HA LEU A 46 7.038 -5.704 -14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.980 -3.348 -12.970 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.173 -2.905 -14.461 1.00 0.00 H new ATOM 0 HG LEU A 46 6.017 -5.028 -12.658 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.584 -3.339 -11.561 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.309 -3.099 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.499 -2.049 -12.379 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.867 -4.233 -13.689 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.781 -3.007 -14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.045 -4.737 -14.925 1.00 0.00 H new ATOM 270 N GLU A 47 9.510 -4.341 -16.104 1.00 0.00 N ATOM 271 CA GLU A 47 10.100 -4.243 -17.453 1.00 0.00 C ATOM 272 C GLU A 47 10.169 -5.588 -18.182 1.00 0.00 C ATOM 273 O GLU A 47 9.803 -5.672 -19.355 1.00 0.00 O ATOM 274 CB GLU A 47 11.479 -3.582 -17.377 1.00 0.00 C ATOM 275 CG GLU A 47 12.108 -3.390 -18.750 1.00 0.00 C ATOM 276 CD GLU A 47 13.433 -2.651 -18.618 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.468 -3.320 -18.397 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.437 -1.406 -18.752 1.00 0.00 O ATOM 0 H GLU A 47 10.153 -4.065 -15.361 1.00 0.00 H new ATOM 0 HA GLU A 47 9.434 -3.617 -18.048 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.388 -2.614 -16.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.138 -4.193 -16.761 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.268 -4.358 -19.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.431 -2.828 -19.394 1.00 0.00 H new ATOM 285 N LYS A 48 10.571 -6.659 -17.499 1.00 0.00 N ATOM 286 CA LYS A 48 10.670 -7.988 -18.116 1.00 0.00 C ATOM 287 C LYS A 48 9.292 -8.611 -18.415 1.00 0.00 C ATOM 288 O LYS A 48 9.145 -9.365 -19.377 1.00 0.00 O ATOM 289 CB LYS A 48 11.576 -8.931 -17.301 1.00 0.00 C ATOM 290 CG LYS A 48 10.939 -9.473 -16.012 1.00 0.00 C ATOM 291 CD LYS A 48 11.915 -10.303 -15.157 1.00 0.00 C ATOM 292 CE LYS A 48 12.459 -11.570 -15.840 1.00 0.00 C ATOM 293 NZ LYS A 48 11.419 -12.601 -16.057 1.00 0.00 N ATOM 0 H LYS A 48 10.835 -6.635 -16.514 1.00 0.00 H new ATOM 0 HA LYS A 48 11.149 -7.845 -19.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.862 -9.773 -17.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.492 -8.400 -17.043 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.566 -8.638 -15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.078 -10.089 -16.271 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.757 -9.670 -14.875 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.411 -10.593 -14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.900 -11.298 -16.799 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.258 -11.991 -15.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.843 -13.430 -16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.015 -12.884 -15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.667 -12.214 -16.662 1.00 0.00 H new ATOM 307 N MET A 49 8.261 -8.253 -17.638 1.00 0.00 N ATOM 308 CA MET A 49 6.868 -8.543 -17.945 1.00 0.00 C ATOM 309 C MET A 49 6.382 -7.728 -19.152 1.00 0.00 C ATOM 310 O MET A 49 5.744 -8.267 -20.054 1.00 0.00 O ATOM 311 CB MET A 49 6.027 -8.167 -16.725 1.00 0.00 C ATOM 312 CG MET A 49 5.781 -9.328 -15.761 1.00 0.00 C ATOM 313 SD MET A 49 4.350 -9.086 -14.667 1.00 0.00 S ATOM 314 CE MET A 49 4.713 -7.452 -13.990 1.00 0.00 C ATOM 0 H MET A 49 8.382 -7.744 -16.763 1.00 0.00 H new ATOM 0 HA MET A 49 6.770 -9.601 -18.187 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.525 -7.360 -16.187 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.066 -7.779 -17.064 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.635 -10.241 -16.338 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.672 -9.476 -15.151 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.026 -7.236 -13.172 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.738 -7.431 -13.619 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.595 -6.700 -14.770 1.00 0.00 H new ATOM 324 N ALA A 50 6.731 -6.442 -19.211 1.00 0.00 N ATOM 325 CA ALA A 50 6.347 -5.542 -20.295 1.00 0.00 C ATOM 326 C ALA A 50 6.862 -5.971 -21.677 1.00 0.00 C ATOM 327 O ALA A 50 6.185 -5.743 -22.674 1.00 0.00 O ATOM 328 CB ALA A 50 6.772 -4.121 -19.928 1.00 0.00 C ATOM 0 H ALA A 50 7.298 -5.991 -18.493 1.00 0.00 H new ATOM 0 HA ALA A 50 5.263 -5.585 -20.397 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.491 -3.439 -20.730 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.277 -3.820 -19.005 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.852 -4.089 -19.787 1.00 0.00 H new ATOM 334 N ASN A 51 7.990 -6.677 -21.759 1.00 0.00 N ATOM 335 CA ASN A 51 8.451 -7.309 -22.999 1.00 0.00 C ATOM 336 C ASN A 51 7.437 -8.324 -23.598 1.00 0.00 C ATOM 337 O ASN A 51 7.411 -8.512 -24.815 1.00 0.00 O ATOM 338 CB ASN A 51 9.827 -7.927 -22.729 1.00 0.00 C ATOM 339 CG ASN A 51 10.433 -8.570 -23.967 1.00 0.00 C ATOM 340 OD1 ASN A 51 10.422 -9.784 -24.127 1.00 0.00 O ATOM 341 ND2 ASN A 51 10.979 -7.781 -24.871 1.00 0.00 N ATOM 0 H ASN A 51 8.613 -6.828 -20.966 1.00 0.00 H new ATOM 0 HA ASN A 51 8.535 -6.548 -23.775 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.501 -7.155 -22.358 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.737 -8.676 -21.942 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.396 -8.181 -25.711 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.984 -6.771 -24.730 1.00 0.00 H new ATOM 348 N GLU A 52 6.546 -8.910 -22.782 1.00 0.00 N ATOM 349 CA GLU A 52 5.414 -9.754 -23.227 1.00 0.00 C ATOM 350 C GLU A 52 4.318 -8.963 -23.958 1.00 0.00 C ATOM 351 O GLU A 52 3.713 -9.463 -24.906 1.00 0.00 O ATOM 352 CB GLU A 52 4.793 -10.505 -22.035 1.00 0.00 C ATOM 353 CG GLU A 52 3.945 -11.721 -22.411 1.00 0.00 C ATOM 354 CD GLU A 52 4.799 -12.845 -22.990 1.00 0.00 C ATOM 355 OE1 GLU A 52 5.489 -13.534 -22.205 1.00 0.00 O ATOM 356 OE2 GLU A 52 4.749 -13.062 -24.222 1.00 0.00 O ATOM 0 H GLU A 52 6.590 -8.810 -21.768 1.00 0.00 H new ATOM 0 HA GLU A 52 5.833 -10.464 -23.940 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.595 -10.830 -21.372 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.174 -9.809 -21.469 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.416 -12.083 -21.529 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.188 -11.427 -23.138 1.00 0.00 H new ATOM 363 N GLU A 53 4.106 -7.700 -23.562 1.00 0.00 N ATOM 364 CA GLU A 53 3.279 -6.684 -24.249 1.00 0.00 C ATOM 365 C GLU A 53 4.045 -5.910 -25.339 1.00 0.00 C ATOM 366 O GLU A 53 3.465 -5.071 -26.031 1.00 0.00 O ATOM 367 CB GLU A 53 2.717 -5.702 -23.207 1.00 0.00 C ATOM 368 CG GLU A 53 1.378 -6.197 -22.652 1.00 0.00 C ATOM 369 CD GLU A 53 0.723 -5.215 -21.680 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.110 -4.026 -21.635 1.00 0.00 O ATOM 371 OE2 GLU A 53 -0.226 -5.647 -20.987 1.00 0.00 O ATOM 0 H GLU A 53 4.527 -7.335 -22.708 1.00 0.00 H new ATOM 0 HA GLU A 53 2.473 -7.214 -24.756 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.431 -5.583 -22.392 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.586 -4.720 -23.661 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.696 -6.385 -23.482 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.533 -7.149 -22.145 1.00 0.00 H new ATOM 378 N GLU A 54 5.333 -6.224 -25.514 1.00 0.00 N ATOM 379 CA GLU A 54 6.289 -5.640 -26.484 1.00 0.00 C ATOM 380 C GLU A 54 6.769 -4.234 -26.080 1.00 0.00 C ATOM 381 O GLU A 54 6.863 -3.314 -26.891 1.00 0.00 O ATOM 382 CB GLU A 54 5.774 -5.745 -27.934 1.00 0.00 C ATOM 383 CG GLU A 54 6.927 -5.849 -28.930 1.00 0.00 C ATOM 384 CD GLU A 54 6.385 -5.893 -30.353 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.094 -7.007 -30.845 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.266 -4.819 -30.983 1.00 0.00 O ATOM 0 H GLU A 54 5.775 -6.945 -24.944 1.00 0.00 H new ATOM 0 HA GLU A 54 7.192 -6.250 -26.453 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.129 -6.618 -28.030 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.166 -4.872 -28.170 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.597 -4.997 -28.814 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.513 -6.745 -28.728 1.00 0.00 H new ATOM 393 N GLU A 55 7.071 -4.109 -24.781 1.00 0.00 N ATOM 394 CA GLU A 55 7.513 -2.925 -24.018 1.00 0.00 C ATOM 395 C GLU A 55 6.432 -1.852 -23.837 1.00 0.00 C ATOM 396 O GLU A 55 6.007 -1.178 -24.774 1.00 0.00 O ATOM 397 CB GLU A 55 8.814 -2.312 -24.545 1.00 0.00 C ATOM 398 CG GLU A 55 9.961 -3.321 -24.622 1.00 0.00 C ATOM 399 CD GLU A 55 11.232 -2.623 -25.087 1.00 0.00 C ATOM 400 OE1 GLU A 55 11.957 -2.071 -24.230 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.510 -2.640 -26.308 1.00 0.00 O ATOM 0 H GLU A 55 7.006 -4.922 -24.169 1.00 0.00 H new ATOM 0 HA GLU A 55 7.720 -3.323 -23.025 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.637 -1.895 -25.536 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.108 -1.485 -23.899 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.122 -3.777 -23.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.704 -4.126 -25.311 1.00 0.00 H new ATOM 408 N SER A 56 6.003 -1.700 -22.585 1.00 0.00 N ATOM 409 CA SER A 56 4.896 -0.847 -22.127 1.00 0.00 C ATOM 410 C SER A 56 5.112 -0.380 -20.668 1.00 0.00 C ATOM 411 O SER A 56 4.161 -0.125 -19.922 1.00 0.00 O ATOM 412 CB SER A 56 3.576 -1.624 -22.272 1.00 0.00 C ATOM 413 OG SER A 56 3.581 -2.800 -21.483 1.00 0.00 O ATOM 0 H SER A 56 6.444 -2.198 -21.812 1.00 0.00 H new ATOM 0 HA SER A 56 4.857 0.051 -22.743 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.743 -0.988 -21.974 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.419 -1.886 -23.318 1.00 0.00 H new ATOM 0 HG SER A 56 2.686 -3.199 -21.485 1.00 0.00 H new ATOM 419 N VAL A 57 6.378 -0.328 -20.223 1.00 0.00 N ATOM 420 CA VAL A 57 6.770 -0.067 -18.821 1.00 0.00 C ATOM 421 C VAL A 57 6.165 1.261 -18.331 1.00 0.00 C ATOM 422 O VAL A 57 6.425 2.322 -18.901 1.00 0.00 O ATOM 423 CB VAL A 57 8.304 -0.028 -18.606 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.634 -0.398 -17.152 1.00 0.00 C ATOM 425 CG2 VAL A 57 9.084 -0.987 -19.513 1.00 0.00 C ATOM 0 H VAL A 57 7.179 -0.469 -20.839 1.00 0.00 H new ATOM 0 HA VAL A 57 6.379 -0.904 -18.243 1.00 0.00 H new ATOM 0 HB VAL A 57 8.608 0.989 -18.853 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.714 -0.369 -17.005 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.157 0.314 -16.478 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.266 -1.402 -16.939 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.150 -0.901 -19.302 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.759 -2.010 -19.326 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.899 -0.732 -20.557 1.00 0.00 H new ATOM 435 N GLY A 58 5.299 1.190 -17.321 1.00 0.00 N ATOM 436 CA GLY A 58 4.445 2.297 -16.849 1.00 0.00 C ATOM 437 C GLY A 58 2.956 1.974 -16.999 1.00 0.00 C ATOM 438 O GLY A 58 2.202 1.984 -16.026 1.00 0.00 O ATOM 0 H GLY A 58 5.162 0.333 -16.785 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.667 2.506 -15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.679 3.201 -17.411 1.00 0.00 H new ATOM 442 N SER A 59 2.550 1.558 -18.198 1.00 0.00 N ATOM 443 CA SER A 59 1.209 1.023 -18.457 1.00 0.00 C ATOM 444 C SER A 59 1.020 -0.375 -17.860 1.00 0.00 C ATOM 445 O SER A 59 -0.009 -0.643 -17.235 1.00 0.00 O ATOM 446 CB SER A 59 0.968 0.950 -19.965 1.00 0.00 C ATOM 447 OG SER A 59 -0.391 0.656 -20.239 1.00 0.00 O ATOM 0 H SER A 59 3.146 1.582 -19.026 1.00 0.00 H new ATOM 0 HA SER A 59 0.494 1.695 -17.983 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.241 1.898 -20.429 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.607 0.184 -20.404 1.00 0.00 H new ATOM 0 HG SER A 59 -0.564 0.771 -21.197 1.00 0.00 H new ATOM 453 N TYR A 60 2.032 -1.250 -17.967 1.00 0.00 N ATOM 454 CA TYR A 60 1.974 -2.602 -17.386 1.00 0.00 C ATOM 455 C TYR A 60 1.729 -2.561 -15.870 1.00 0.00 C ATOM 456 O TYR A 60 0.926 -3.319 -15.337 1.00 0.00 O ATOM 457 CB TYR A 60 3.254 -3.391 -17.694 1.00 0.00 C ATOM 458 CG TYR A 60 3.013 -4.890 -17.796 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.701 -5.657 -16.655 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.055 -5.519 -19.054 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.422 -7.030 -16.778 1.00 0.00 C ATOM 462 CE2 TYR A 60 2.830 -6.903 -19.169 1.00 0.00 C ATOM 463 CZ TYR A 60 2.498 -7.657 -18.032 1.00 0.00 C ATOM 464 OH TYR A 60 2.257 -8.994 -18.135 1.00 0.00 O ATOM 0 H TYR A 60 2.905 -1.044 -18.453 1.00 0.00 H new ATOM 0 HA TYR A 60 1.129 -3.112 -17.849 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.680 -3.032 -18.631 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.991 -3.198 -16.914 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.676 -5.188 -15.682 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.262 -4.935 -19.938 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.148 -7.604 -15.905 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.913 -7.385 -20.132 1.00 0.00 H new ATOM 0 HH TYR A 60 2.349 -9.272 -19.070 1.00 0.00 H new ATOM 474 N ILE A 61 2.368 -1.605 -15.194 1.00 0.00 N ATOM 475 CA ILE A 61 2.213 -1.325 -13.755 1.00 0.00 C ATOM 476 C ILE A 61 0.736 -1.113 -13.404 1.00 0.00 C ATOM 477 O ILE A 61 0.186 -1.790 -12.533 1.00 0.00 O ATOM 478 CB ILE A 61 3.029 -0.079 -13.326 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.422 -0.011 -13.989 1.00 0.00 C ATOM 480 CG2 ILE A 61 3.113 -0.004 -11.789 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.270 1.173 -13.529 1.00 0.00 C ATOM 0 H ILE A 61 3.034 -0.978 -15.645 1.00 0.00 H new ATOM 0 HA ILE A 61 2.595 -2.191 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 61 2.497 0.801 -13.686 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.960 -0.935 -13.776 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.296 0.043 -15.070 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.688 0.875 -11.499 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.108 0.066 -11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.602 -0.900 -11.407 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.233 1.151 -14.039 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.755 2.104 -13.766 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.429 1.111 -12.452 1.00 0.00 H new ATOM 493 N LYS A 62 0.071 -0.218 -14.141 1.00 0.00 N ATOM 494 CA LYS A 62 -1.353 0.031 -13.950 1.00 0.00 C ATOM 495 C LYS A 62 -2.174 -1.230 -14.283 1.00 0.00 C ATOM 496 O LYS A 62 -2.992 -1.676 -13.482 1.00 0.00 O ATOM 497 CB LYS A 62 -1.801 1.237 -14.799 1.00 0.00 C ATOM 498 CG LYS A 62 -3.024 1.932 -14.174 1.00 0.00 C ATOM 499 CD LYS A 62 -3.820 2.838 -15.133 1.00 0.00 C ATOM 500 CE LYS A 62 -3.032 4.008 -15.744 1.00 0.00 C ATOM 501 NZ LYS A 62 -2.389 3.669 -17.036 1.00 0.00 N ATOM 0 H LYS A 62 0.501 0.345 -14.875 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.532 0.272 -12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.980 1.949 -14.887 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.044 0.905 -15.808 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.694 1.168 -13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.689 2.531 -13.327 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.212 2.224 -15.944 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.678 3.242 -14.595 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.705 4.853 -15.891 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.266 4.330 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.495 4.192 -17.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.198 2.647 -17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.023 3.930 -17.818 1.00 0.00 H new ATOM 515 N ARG A 63 -1.904 -1.866 -15.430 1.00 0.00 N ATOM 516 CA ARG A 63 -2.553 -3.116 -15.856 1.00 0.00 C ATOM 517 C ARG A 63 -2.478 -4.235 -14.800 1.00 0.00 C ATOM 518 O ARG A 63 -3.454 -4.948 -14.603 1.00 0.00 O ATOM 519 CB ARG A 63 -1.959 -3.602 -17.194 1.00 0.00 C ATOM 520 CG ARG A 63 -2.820 -3.265 -18.421 1.00 0.00 C ATOM 521 CD ARG A 63 -2.930 -1.767 -18.735 1.00 0.00 C ATOM 522 NE ARG A 63 -3.852 -1.560 -19.867 1.00 0.00 N ATOM 523 CZ ARG A 63 -3.546 -1.358 -21.140 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.331 -1.126 -21.551 1.00 0.00 N ATOM 525 NH2 ARG A 63 -4.484 -1.384 -22.046 1.00 0.00 N ATOM 0 H ARG A 63 -1.217 -1.522 -16.101 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.610 -2.884 -15.986 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.972 -3.159 -17.323 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.820 -4.682 -17.147 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.405 -3.775 -19.290 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.822 -3.664 -18.265 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.289 -1.228 -17.858 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.947 -1.364 -18.977 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.847 -1.574 -19.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.563 -1.094 -20.880 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.148 -0.977 -22.543 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.451 -1.560 -21.774 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.250 -1.229 -23.027 1.00 0.00 H new ATOM 539 N TYR A 64 -1.369 -4.372 -14.073 1.00 0.00 N ATOM 540 CA TYR A 64 -1.163 -5.416 -13.056 1.00 0.00 C ATOM 541 C TYR A 64 -2.046 -5.208 -11.813 1.00 0.00 C ATOM 542 O TYR A 64 -2.632 -6.148 -11.276 1.00 0.00 O ATOM 543 CB TYR A 64 0.332 -5.445 -12.682 1.00 0.00 C ATOM 544 CG TYR A 64 0.923 -6.800 -12.331 1.00 0.00 C ATOM 545 CD1 TYR A 64 0.679 -7.927 -13.141 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.771 -6.924 -11.211 1.00 0.00 C ATOM 547 CE1 TYR A 64 1.220 -9.179 -12.789 1.00 0.00 C ATOM 548 CE2 TYR A 64 2.338 -8.167 -10.884 1.00 0.00 C ATOM 549 CZ TYR A 64 2.036 -9.300 -11.655 1.00 0.00 C ATOM 550 OH TYR A 64 2.516 -10.522 -11.301 1.00 0.00 O ATOM 0 H TYR A 64 -0.568 -3.749 -14.173 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.461 -6.377 -13.475 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.899 -5.033 -13.516 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.483 -4.778 -11.833 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.077 -7.831 -14.032 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.986 -6.059 -10.601 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.006 -10.048 -13.394 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.006 -8.251 -10.040 1.00 0.00 H new ATOM 0 HH TYR A 64 2.198 -11.196 -11.938 1.00 0.00 H new ATOM 560 N ILE A 65 -2.222 -3.946 -11.425 1.00 0.00 N ATOM 561 CA ILE A 65 -3.186 -3.508 -10.398 1.00 0.00 C ATOM 562 C ILE A 65 -4.627 -3.692 -10.882 1.00 0.00 C ATOM 563 O ILE A 65 -5.467 -4.208 -10.149 1.00 0.00 O ATOM 564 CB ILE A 65 -2.922 -2.040 -9.972 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.712 -1.921 -9.028 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.132 -1.350 -9.317 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.899 -2.520 -7.626 1.00 0.00 C ATOM 0 H ILE A 65 -1.687 -3.174 -11.823 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.046 -4.138 -9.520 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.713 -1.524 -10.909 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.858 -2.407 -9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.460 -0.866 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.866 -0.328 -9.048 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.966 -1.336 -10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.421 -1.897 -8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.987 -2.381 -7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.728 -2.020 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.116 -3.585 -7.711 1.00 0.00 H new ATOM 579 N LEU A 66 -4.922 -3.336 -12.131 1.00 0.00 N ATOM 580 CA LEU A 66 -6.275 -3.438 -12.689 1.00 0.00 C ATOM 581 C LEU A 66 -6.681 -4.916 -12.831 1.00 0.00 C ATOM 582 O LEU A 66 -7.808 -5.301 -12.515 1.00 0.00 O ATOM 583 CB LEU A 66 -6.304 -2.677 -14.026 1.00 0.00 C ATOM 584 CG LEU A 66 -6.541 -1.150 -13.938 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.074 -0.431 -12.670 1.00 0.00 C ATOM 586 CD2 LEU A 66 -5.837 -0.461 -15.105 1.00 0.00 C ATOM 0 H LEU A 66 -4.232 -2.969 -12.787 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.009 -2.984 -12.023 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.357 -2.848 -14.538 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.086 -3.110 -14.650 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.628 -1.072 -13.947 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.305 0.631 -12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.586 -0.851 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.998 -0.561 -12.553 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.002 0.615 -15.046 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.768 -0.667 -15.058 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.238 -0.838 -16.046 1.00 0.00 H new ATOM 598 N LYS A 67 -5.723 -5.767 -13.198 1.00 0.00 N ATOM 599 CA LYS A 67 -5.876 -7.217 -13.254 1.00 0.00 C ATOM 600 C LYS A 67 -6.113 -7.835 -11.862 1.00 0.00 C ATOM 601 O LYS A 67 -6.962 -8.715 -11.707 1.00 0.00 O ATOM 602 CB LYS A 67 -4.636 -7.802 -13.945 1.00 0.00 C ATOM 603 CG LYS A 67 -4.794 -9.305 -14.237 1.00 0.00 C ATOM 604 CD LYS A 67 -3.806 -9.833 -15.291 1.00 0.00 C ATOM 605 CE LYS A 67 -2.336 -9.699 -14.868 1.00 0.00 C ATOM 606 NZ LYS A 67 -1.425 -10.264 -15.889 1.00 0.00 N ATOM 0 H LYS A 67 -4.792 -5.455 -13.472 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.767 -7.466 -13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.455 -7.268 -14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.761 -7.645 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.657 -9.863 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.812 -9.496 -14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.025 -10.882 -15.491 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.959 -9.292 -16.225 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.097 -8.648 -14.707 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.181 -10.210 -13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.440 -10.157 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.638 -11.273 -16.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.556 -9.759 -16.789 1.00 0.00 H new ATOM 620 N ALA A 68 -5.422 -7.332 -10.834 1.00 0.00 N ATOM 621 CA ALA A 68 -5.647 -7.727 -9.444 1.00 0.00 C ATOM 622 C ALA A 68 -7.016 -7.270 -8.903 1.00 0.00 C ATOM 623 O ALA A 68 -7.712 -8.037 -8.241 1.00 0.00 O ATOM 624 CB ALA A 68 -4.520 -7.160 -8.580 1.00 0.00 C ATOM 0 H ALA A 68 -4.686 -6.635 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.650 -8.816 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.678 -7.449 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.564 -7.554 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.514 -6.073 -8.658 1.00 0.00 H new ATOM 630 N LEU A 69 -7.447 -6.046 -9.219 1.00 0.00 N ATOM 631 CA LEU A 69 -8.676 -5.436 -8.725 1.00 0.00 C ATOM 632 C LEU A 69 -9.947 -6.121 -9.260 1.00 0.00 C ATOM 633 O LEU A 69 -10.981 -6.128 -8.591 1.00 0.00 O ATOM 634 CB LEU A 69 -8.623 -3.953 -9.108 1.00 0.00 C ATOM 635 CG LEU A 69 -7.777 -3.070 -8.168 1.00 0.00 C ATOM 636 CD1 LEU A 69 -7.606 -1.675 -8.758 1.00 0.00 C ATOM 637 CD2 LEU A 69 -8.424 -2.880 -6.804 1.00 0.00 C ATOM 0 H LEU A 69 -6.928 -5.434 -9.849 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.736 -5.557 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.225 -3.868 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.640 -3.562 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.824 -3.587 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.007 -1.065 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.104 -1.747 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.585 -1.214 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.786 -2.251 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.396 -2.403 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.554 -3.850 -6.324 1.00 0.00 H new ATOM 649 N ARG A 70 -9.854 -6.764 -10.427 1.00 0.00 N ATOM 650 CA ARG A 70 -10.894 -7.651 -10.952 1.00 0.00 C ATOM 651 C ARG A 70 -11.137 -8.925 -10.105 1.00 0.00 C ATOM 652 O ARG A 70 -12.206 -9.530 -10.210 1.00 0.00 O ATOM 653 CB ARG A 70 -10.589 -8.040 -12.410 1.00 0.00 C ATOM 654 CG ARG A 70 -10.836 -6.879 -13.389 1.00 0.00 C ATOM 655 CD ARG A 70 -10.625 -7.303 -14.848 1.00 0.00 C ATOM 656 NE ARG A 70 -11.679 -8.231 -15.301 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.697 -8.929 -16.426 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.731 -8.869 -17.302 1.00 0.00 N ATOM 659 NH2 ARG A 70 -12.705 -9.713 -16.693 1.00 0.00 N ATOM 0 H ARG A 70 -9.044 -6.682 -11.041 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.817 -7.074 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.551 -8.363 -12.488 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.209 -8.890 -12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.853 -6.508 -13.263 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.164 -6.054 -13.150 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.618 -6.420 -15.487 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.650 -7.780 -14.952 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.480 -8.347 -14.681 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.925 -8.268 -17.131 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.783 -9.423 -18.157 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.480 -9.789 -16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.718 -10.250 -17.560 1.00 0.00 H new ATOM 673 N LYS A 71 -10.169 -9.353 -9.281 1.00 0.00 N ATOM 674 CA LYS A 71 -10.226 -10.606 -8.507 1.00 0.00 C ATOM 675 C LYS A 71 -9.386 -10.565 -7.202 1.00 0.00 C ATOM 676 O LYS A 71 -8.600 -11.470 -6.911 1.00 0.00 O ATOM 677 CB LYS A 71 -9.900 -11.794 -9.427 1.00 0.00 C ATOM 678 CG LYS A 71 -10.459 -13.128 -8.891 1.00 0.00 C ATOM 679 CD LYS A 71 -10.196 -14.316 -9.833 1.00 0.00 C ATOM 680 CE LYS A 71 -10.904 -14.234 -11.196 1.00 0.00 C ATOM 681 NZ LYS A 71 -12.377 -14.319 -11.086 1.00 0.00 N ATOM 0 H LYS A 71 -9.307 -8.829 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.245 -10.740 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.310 -11.604 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.819 -11.876 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.013 -13.337 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.533 -13.028 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.122 -14.395 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.508 -15.233 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.635 -13.297 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.545 -15.041 -11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.800 -14.258 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.641 -15.224 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.727 -13.534 -10.500 1.00 0.00 H new ATOM 695 N ILE A 72 -9.540 -9.494 -6.412 1.00 0.00 N ATOM 696 CA ILE A 72 -8.887 -9.303 -5.096 1.00 0.00 C ATOM 697 C ILE A 72 -9.017 -10.531 -4.158 1.00 0.00 C ATOM 698 O ILE A 72 -8.069 -10.881 -3.445 1.00 0.00 O ATOM 699 CB ILE A 72 -9.456 -8.030 -4.416 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.339 -6.805 -5.354 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.759 -7.763 -3.070 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.870 -5.490 -4.775 1.00 0.00 C ATOM 0 H ILE A 72 -10.138 -8.710 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.820 -9.183 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.514 -8.201 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.291 -6.670 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.877 -7.021 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.177 -6.865 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.914 -8.613 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.691 -7.622 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.743 -4.693 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.928 -5.599 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.317 -5.242 -3.869 1.00 0.00 H new ATOM 714 N GLU A 73 -10.178 -11.205 -4.181 1.00 0.00 N ATOM 715 CA GLU A 73 -10.510 -12.423 -3.414 1.00 0.00 C ATOM 716 C GLU A 73 -11.489 -13.307 -4.193 1.00 0.00 C ATOM 717 O GLU A 73 -11.205 -14.517 -4.327 1.00 0.00 O ATOM 718 CB GLU A 73 -11.086 -12.041 -2.040 1.00 0.00 C ATOM 719 CG GLU A 73 -11.237 -13.245 -1.110 1.00 0.00 C ATOM 720 CD GLU A 73 -11.753 -12.802 0.251 1.00 0.00 C ATOM 721 OE1 GLU A 73 -12.991 -12.740 0.428 1.00 0.00 O ATOM 722 OE2 GLU A 73 -10.920 -12.530 1.144 1.00 0.00 O ATOM 0 H GLU A 73 -10.955 -10.900 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.597 -12.997 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.436 -11.303 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.058 -11.568 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.925 -13.968 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.276 -13.747 -0.996 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.934 5.934 -6.366 1.00 0.00 N ATOM 731 CA THR B 31 15.552 5.412 -6.305 1.00 0.00 C ATOM 732 C THR B 31 14.858 5.656 -7.656 1.00 0.00 C ATOM 733 O THR B 31 15.185 6.612 -8.365 1.00 0.00 O ATOM 734 CB THR B 31 14.727 6.131 -5.209 1.00 0.00 C ATOM 735 OG1 THR B 31 15.465 6.368 -4.024 1.00 0.00 O ATOM 736 CG2 THR B 31 13.468 5.378 -4.778 1.00 0.00 C ATOM 0 HA THR B 31 15.606 4.348 -6.074 1.00 0.00 H new ATOM 0 HB THR B 31 14.454 7.067 -5.696 1.00 0.00 H new ATOM 0 HG1 THR B 31 16.417 6.450 -4.242 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.948 5.949 -4.008 1.00 0.00 H new ATOM 0 HG22 THR B 31 12.811 5.246 -5.638 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.746 4.402 -4.380 1.00 0.00 H new ATOM 744 N ARG B 32 13.905 4.803 -8.029 1.00 0.00 N ATOM 745 CA ARG B 32 13.066 4.975 -9.223 1.00 0.00 C ATOM 746 C ARG B 32 11.814 5.816 -8.919 1.00 0.00 C ATOM 747 O ARG B 32 11.428 5.995 -7.764 1.00 0.00 O ATOM 748 CB ARG B 32 12.665 3.597 -9.793 1.00 0.00 C ATOM 749 CG ARG B 32 13.858 2.829 -10.379 1.00 0.00 C ATOM 750 CD ARG B 32 14.328 3.405 -11.728 1.00 0.00 C ATOM 751 NE ARG B 32 15.779 3.229 -11.902 1.00 0.00 N ATOM 752 CZ ARG B 32 16.432 2.087 -12.026 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.833 0.944 -12.201 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.728 2.053 -11.946 1.00 0.00 N ATOM 0 H ARG B 32 13.687 3.957 -7.503 1.00 0.00 H new ATOM 0 HA ARG B 32 13.651 5.514 -9.969 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.207 3.001 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.910 3.734 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.685 2.854 -9.670 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.582 1.783 -10.511 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.798 2.911 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.078 4.465 -11.782 1.00 0.00 H new ATOM 0 HE ARG B 32 16.341 4.080 -11.930 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.815 0.904 -12.248 1.00 0.00 H new ATOM 0 HH12 ARG B 32 16.382 0.089 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG B 32 18.252 2.913 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG B 32 18.222 1.166 -12.043 1.00 0.00 H new ATOM 768 N ALA B 33 11.152 6.278 -9.976 1.00 0.00 N ATOM 769 CA ALA B 33 9.925 7.071 -9.924 1.00 0.00 C ATOM 770 C ALA B 33 8.856 6.462 -10.847 1.00 0.00 C ATOM 771 O ALA B 33 9.112 6.170 -12.018 1.00 0.00 O ATOM 772 CB ALA B 33 10.257 8.516 -10.306 1.00 0.00 C ATOM 0 H ALA B 33 11.467 6.104 -10.930 1.00 0.00 H new ATOM 0 HA ALA B 33 9.513 7.065 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.350 9.119 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.988 8.919 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.670 8.540 -11.314 1.00 0.00 H new ATOM 778 N VAL B 34 7.661 6.260 -10.297 1.00 0.00 N ATOM 779 CA VAL B 34 6.527 5.559 -10.921 1.00 0.00 C ATOM 780 C VAL B 34 5.258 6.372 -10.715 1.00 0.00 C ATOM 781 O VAL B 34 4.590 6.257 -9.693 1.00 0.00 O ATOM 782 CB VAL B 34 6.374 4.124 -10.374 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.099 3.426 -10.862 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.564 3.261 -10.823 1.00 0.00 C ATOM 0 H VAL B 34 7.440 6.594 -9.359 1.00 0.00 H new ATOM 0 HA VAL B 34 6.718 5.464 -11.990 1.00 0.00 H new ATOM 0 HB VAL B 34 6.327 4.222 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.051 2.421 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.227 3.996 -10.541 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.112 3.364 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.448 2.250 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.599 3.228 -11.912 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.490 3.692 -10.443 1.00 0.00 H new ATOM 794 N SER B 35 4.961 7.232 -11.683 1.00 0.00 N ATOM 795 CA SER B 35 3.739 8.038 -11.716 1.00 0.00 C ATOM 796 C SER B 35 2.672 7.406 -12.623 1.00 0.00 C ATOM 797 O SER B 35 2.964 6.976 -13.745 1.00 0.00 O ATOM 798 CB SER B 35 4.068 9.461 -12.173 1.00 0.00 C ATOM 799 OG SER B 35 2.942 10.313 -12.043 1.00 0.00 O ATOM 0 H SER B 35 5.572 7.394 -12.483 1.00 0.00 H new ATOM 0 HA SER B 35 3.326 8.075 -10.708 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.895 9.854 -11.582 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.398 9.445 -13.212 1.00 0.00 H new ATOM 0 HG SER B 35 3.179 11.216 -12.340 1.00 0.00 H new ATOM 805 N LEU B 36 1.437 7.344 -12.127 1.00 0.00 N ATOM 806 CA LEU B 36 0.285 6.673 -12.731 1.00 0.00 C ATOM 807 C LEU B 36 -0.930 7.621 -12.771 1.00 0.00 C ATOM 808 O LEU B 36 -0.982 8.618 -12.051 1.00 0.00 O ATOM 809 CB LEU B 36 -0.042 5.401 -11.919 1.00 0.00 C ATOM 810 CG LEU B 36 1.096 4.368 -11.788 1.00 0.00 C ATOM 811 CD1 LEU B 36 0.648 3.220 -10.884 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.500 3.764 -13.132 1.00 0.00 C ATOM 0 H LEU B 36 1.199 7.787 -11.240 1.00 0.00 H new ATOM 0 HA LEU B 36 0.524 6.392 -13.757 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.348 5.703 -10.917 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.899 4.910 -12.380 1.00 0.00 H new ATOM 0 HG LEU B 36 1.951 4.900 -11.372 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.454 2.492 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.399 3.610 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.229 2.738 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.304 3.044 -12.980 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.642 3.261 -13.577 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.843 4.556 -13.798 1.00 0.00 H new ATOM 824 N TYR B 37 -1.914 7.279 -13.602 1.00 0.00 N ATOM 825 CA TYR B 37 -3.058 8.125 -13.982 1.00 0.00 C ATOM 826 C TYR B 37 -4.360 7.312 -13.892 1.00 0.00 C ATOM 827 O TYR B 37 -4.851 6.758 -14.878 1.00 0.00 O ATOM 828 CB TYR B 37 -2.803 8.719 -15.377 1.00 0.00 C ATOM 829 CG TYR B 37 -1.493 9.484 -15.477 1.00 0.00 C ATOM 830 CD1 TYR B 37 -1.376 10.776 -14.928 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.368 8.874 -16.065 1.00 0.00 C ATOM 832 CE1 TYR B 37 -0.148 11.459 -14.985 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.861 9.555 -16.108 1.00 0.00 C ATOM 834 CZ TYR B 37 0.971 10.851 -15.578 1.00 0.00 C ATOM 835 OH TYR B 37 2.155 11.523 -15.637 1.00 0.00 O ATOM 0 H TYR B 37 -1.942 6.364 -14.052 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.170 8.962 -13.292 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.802 7.914 -16.112 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.625 9.386 -15.636 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -2.231 11.243 -14.462 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.450 7.882 -16.483 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.065 12.453 -14.572 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.724 9.080 -16.550 1.00 0.00 H new ATOM 0 HH TYR B 37 2.828 10.962 -16.077 1.00 0.00 H new ATOM 845 N PHE B 38 -4.837 7.132 -12.663 1.00 0.00 N ATOM 846 CA PHE B 38 -5.992 6.316 -12.309 1.00 0.00 C ATOM 847 C PHE B 38 -7.333 7.015 -12.639 1.00 0.00 C ATOM 848 O PHE B 38 -7.368 8.136 -13.151 1.00 0.00 O ATOM 849 CB PHE B 38 -5.865 6.022 -10.802 1.00 0.00 C ATOM 850 CG PHE B 38 -5.004 4.826 -10.424 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.293 3.540 -10.925 1.00 0.00 C ATOM 852 CD2 PHE B 38 -3.974 4.979 -9.480 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.577 2.419 -10.465 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.248 3.862 -9.035 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.545 2.582 -9.529 1.00 0.00 C ATOM 0 H PHE B 38 -4.407 7.573 -11.850 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.001 5.396 -12.894 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.457 6.907 -10.313 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.865 5.867 -10.397 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.068 3.414 -11.666 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.740 5.960 -9.095 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.822 1.434 -10.833 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.458 3.988 -8.310 1.00 0.00 H new ATOM 0 HZ PHE B 38 -2.981 1.726 -9.190 1.00 0.00 H new ATOM 865 N SER B 39 -8.445 6.381 -12.265 1.00 0.00 N ATOM 866 CA SER B 39 -9.762 7.016 -12.168 1.00 0.00 C ATOM 867 C SER B 39 -10.415 6.770 -10.805 1.00 0.00 C ATOM 868 O SER B 39 -9.921 5.964 -10.011 1.00 0.00 O ATOM 869 CB SER B 39 -10.665 6.543 -13.317 1.00 0.00 C ATOM 870 OG SER B 39 -11.002 5.173 -13.167 1.00 0.00 O ATOM 0 H SER B 39 -8.457 5.392 -12.016 1.00 0.00 H new ATOM 0 HA SER B 39 -9.624 8.093 -12.259 1.00 0.00 H new ATOM 0 HB2 SER B 39 -11.574 7.144 -13.341 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.157 6.694 -14.270 1.00 0.00 H new ATOM 0 HG SER B 39 -11.579 4.895 -13.909 1.00 0.00 H new ATOM 876 N ASP B 40 -11.513 7.478 -10.519 1.00 0.00 N ATOM 877 CA ASP B 40 -12.268 7.376 -9.262 1.00 0.00 C ATOM 878 C ASP B 40 -12.609 5.925 -8.887 1.00 0.00 C ATOM 879 O ASP B 40 -12.385 5.527 -7.748 1.00 0.00 O ATOM 880 CB ASP B 40 -13.520 8.274 -9.328 1.00 0.00 C ATOM 881 CG ASP B 40 -14.621 7.784 -10.297 1.00 0.00 C ATOM 882 OD1 ASP B 40 -14.373 7.755 -11.526 1.00 0.00 O ATOM 883 OD2 ASP B 40 -15.733 7.441 -9.828 1.00 0.00 O ATOM 0 H ASP B 40 -11.912 8.154 -11.170 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.628 7.736 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.946 8.354 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.215 9.277 -9.625 1.00 0.00 H new ATOM 888 N GLU B 41 -13.018 5.101 -9.860 1.00 0.00 N ATOM 889 CA GLU B 41 -13.263 3.652 -9.687 1.00 0.00 C ATOM 890 C GLU B 41 -12.043 2.891 -9.209 1.00 0.00 C ATOM 891 O GLU B 41 -12.104 2.193 -8.199 1.00 0.00 O ATOM 892 CB GLU B 41 -13.694 3.015 -11.014 1.00 0.00 C ATOM 893 CG GLU B 41 -15.070 3.487 -11.469 1.00 0.00 C ATOM 894 CD GLU B 41 -16.166 2.476 -11.133 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.109 1.839 -10.056 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.094 2.325 -11.959 1.00 0.00 O ATOM 0 H GLU B 41 -13.193 5.424 -10.812 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.045 3.582 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -12.959 3.253 -11.783 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -13.703 1.930 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.300 4.441 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.055 3.661 -12.545 1.00 0.00 H new ATOM 903 N GLN B 42 -10.934 3.036 -9.929 1.00 0.00 N ATOM 904 CA GLN B 42 -9.660 2.385 -9.582 1.00 0.00 C ATOM 905 C GLN B 42 -9.147 2.846 -8.212 1.00 0.00 C ATOM 906 O GLN B 42 -8.734 2.021 -7.397 1.00 0.00 O ATOM 907 CB GLN B 42 -8.595 2.618 -10.662 1.00 0.00 C ATOM 908 CG GLN B 42 -9.038 2.272 -12.094 1.00 0.00 C ATOM 909 CD GLN B 42 -9.605 0.873 -12.263 1.00 0.00 C ATOM 910 OE1 GLN B 42 -9.237 -0.076 -11.585 1.00 0.00 O ATOM 911 NE2 GLN B 42 -10.527 0.704 -13.184 1.00 0.00 N ATOM 0 H GLN B 42 -10.886 3.608 -10.772 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.855 1.314 -9.527 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.293 3.665 -10.634 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.714 2.025 -10.417 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -9.790 2.995 -12.412 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -8.184 2.386 -12.761 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.834 1.495 -13.750 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -10.936 -0.219 -13.333 1.00 0.00 H new ATOM 920 N TYR B 43 -9.242 4.147 -7.919 1.00 0.00 N ATOM 921 CA TYR B 43 -8.755 4.719 -6.662 1.00 0.00 C ATOM 922 C TYR B 43 -9.618 4.308 -5.461 1.00 0.00 C ATOM 923 O TYR B 43 -9.087 3.898 -4.432 1.00 0.00 O ATOM 924 CB TYR B 43 -8.685 6.245 -6.796 1.00 0.00 C ATOM 925 CG TYR B 43 -7.853 6.936 -5.729 1.00 0.00 C ATOM 926 CD1 TYR B 43 -8.373 7.170 -4.440 1.00 0.00 C ATOM 927 CD2 TYR B 43 -6.549 7.371 -6.032 1.00 0.00 C ATOM 928 CE1 TYR B 43 -7.608 7.851 -3.476 1.00 0.00 C ATOM 929 CE2 TYR B 43 -5.801 8.085 -5.081 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.324 8.319 -3.800 1.00 0.00 C ATOM 931 OH TYR B 43 -5.587 9.008 -2.884 1.00 0.00 O ATOM 0 H TYR B 43 -9.659 4.833 -8.548 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.758 4.323 -6.470 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.274 6.492 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.698 6.646 -6.765 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -9.365 6.824 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -6.122 7.155 -7.000 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -8.008 8.014 -2.486 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -4.819 8.455 -5.337 1.00 0.00 H new ATOM 0 HH TYR B 43 -4.724 9.254 -3.277 1.00 0.00 H new ATOM 941 N GLN B 44 -10.950 4.354 -5.588 1.00 0.00 N ATOM 942 CA GLN B 44 -11.874 3.978 -4.507 1.00 0.00 C ATOM 943 C GLN B 44 -11.844 2.475 -4.210 1.00 0.00 C ATOM 944 O GLN B 44 -11.948 2.068 -3.055 1.00 0.00 O ATOM 945 CB GLN B 44 -13.328 4.397 -4.793 1.00 0.00 C ATOM 946 CG GLN B 44 -13.720 5.764 -4.210 1.00 0.00 C ATOM 947 CD GLN B 44 -13.154 6.948 -4.963 1.00 0.00 C ATOM 948 OE1 GLN B 44 -13.828 7.576 -5.768 1.00 0.00 O ATOM 949 NE2 GLN B 44 -11.928 7.329 -4.683 1.00 0.00 N ATOM 0 H GLN B 44 -11.419 4.653 -6.443 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.517 4.523 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.482 4.418 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.998 3.638 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.807 5.842 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.385 5.813 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.371 6.801 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -11.533 8.152 -5.138 1.00 0.00 H new ATOM 958 N LYS B 45 -11.672 1.634 -5.231 1.00 0.00 N ATOM 959 CA LYS B 45 -11.516 0.189 -5.041 1.00 0.00 C ATOM 960 C LYS B 45 -10.206 -0.152 -4.303 1.00 0.00 C ATOM 961 O LYS B 45 -10.201 -0.994 -3.402 1.00 0.00 O ATOM 962 CB LYS B 45 -11.636 -0.495 -6.405 1.00 0.00 C ATOM 963 CG LYS B 45 -12.216 -1.915 -6.333 1.00 0.00 C ATOM 964 CD LYS B 45 -12.548 -2.495 -7.725 1.00 0.00 C ATOM 965 CE LYS B 45 -13.869 -1.984 -8.339 1.00 0.00 C ATOM 966 NZ LYS B 45 -13.763 -0.663 -9.005 1.00 0.00 N ATOM 0 H LYS B 45 -11.637 1.931 -6.206 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.308 -0.190 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.267 0.114 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.650 -0.537 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.503 -2.569 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -13.120 -1.903 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -11.731 -2.258 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -12.595 -3.581 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.226 -2.716 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.621 -1.922 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -14.181 -0.719 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.272 0.050 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -12.762 -0.393 -9.082 1.00 0.00 H new ATOM 980 N LEU B 46 -9.116 0.568 -4.598 1.00 0.00 N ATOM 981 CA LEU B 46 -7.866 0.477 -3.844 1.00 0.00 C ATOM 982 C LEU B 46 -7.966 1.047 -2.420 1.00 0.00 C ATOM 983 O LEU B 46 -7.444 0.449 -1.485 1.00 0.00 O ATOM 984 CB LEU B 46 -6.724 1.125 -4.649 1.00 0.00 C ATOM 985 CG LEU B 46 -5.652 0.069 -4.927 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.715 0.483 -6.050 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.804 -0.202 -3.681 1.00 0.00 C ATOM 0 H LEU B 46 -9.080 1.232 -5.371 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.645 -0.581 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.106 1.530 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.296 1.959 -4.092 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.191 -0.832 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.972 -0.298 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.288 0.632 -6.965 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.213 1.412 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.051 -0.956 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.311 0.719 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.445 -0.562 -2.876 1.00 0.00 H new ATOM 999 N GLU B 47 -8.695 2.149 -2.225 1.00 0.00 N ATOM 1000 CA GLU B 47 -9.017 2.722 -0.899 1.00 0.00 C ATOM 1001 C GLU B 47 -9.833 1.776 -0.022 1.00 0.00 C ATOM 1002 O GLU B 47 -9.548 1.624 1.166 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.737 4.068 -1.060 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.841 4.859 0.239 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.527 6.191 -0.035 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.778 6.220 -0.059 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.817 7.203 -0.225 1.00 0.00 O ATOM 0 H GLU B 47 -9.090 2.686 -2.997 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.069 2.879 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.208 4.668 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.739 3.891 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.405 4.292 0.979 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.848 5.027 0.656 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.786 1.068 -0.620 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.574 0.039 0.056 1.00 0.00 C ATOM 1016 C LYS B 48 -10.702 -1.162 0.482 1.00 0.00 C ATOM 1017 O LYS B 48 -10.899 -1.725 1.559 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.757 -0.373 -0.839 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.796 -1.205 -0.067 1.00 0.00 C ATOM 1020 CD LYS B 48 -15.053 -1.583 -0.876 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.999 -0.414 -1.197 1.00 0.00 C ATOM 1022 NZ LYS B 48 -15.645 0.290 -2.446 1.00 0.00 N ATOM 0 H LYS B 48 -11.037 1.193 -1.601 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.978 0.450 0.981 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.234 0.519 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.387 -0.949 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.319 -2.120 0.285 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.104 -0.646 0.816 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.738 -2.043 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.609 -2.338 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -17.019 -0.791 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -15.984 0.296 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -15.637 1.316 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -14.703 -0.016 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.346 0.067 -3.181 1.00 0.00 H new ATOM 1036 N MET B 49 -9.681 -1.502 -0.313 1.00 0.00 N ATOM 1037 CA MET B 49 -8.627 -2.443 0.065 1.00 0.00 C ATOM 1038 C MET B 49 -7.716 -1.891 1.179 1.00 0.00 C ATOM 1039 O MET B 49 -7.465 -2.576 2.167 1.00 0.00 O ATOM 1040 CB MET B 49 -7.792 -2.782 -1.178 1.00 0.00 C ATOM 1041 CG MET B 49 -7.944 -4.251 -1.585 1.00 0.00 C ATOM 1042 SD MET B 49 -6.748 -4.893 -2.798 1.00 0.00 S ATOM 1043 CE MET B 49 -6.373 -3.427 -3.789 1.00 0.00 C ATOM 0 H MET B 49 -9.564 -1.123 -1.253 1.00 0.00 H new ATOM 0 HA MET B 49 -9.103 -3.340 0.462 1.00 0.00 H new ATOM 0 HB2 MET B 49 -8.097 -2.142 -2.006 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.742 -2.567 -0.980 1.00 0.00 H new ATOM 0 HG2 MET B 49 -7.876 -4.862 -0.685 1.00 0.00 H new ATOM 0 HG3 MET B 49 -8.946 -4.390 -1.990 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.923 -3.732 -4.734 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.293 -2.876 -3.986 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.677 -2.789 -3.245 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.270 -0.635 1.072 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.392 0.012 2.047 1.00 0.00 C ATOM 1055 C ALA B 50 -7.001 0.115 3.456 1.00 0.00 C ATOM 1056 O ALA B 50 -6.283 0.042 4.452 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.983 1.377 1.497 1.00 0.00 C ATOM 0 H ALA B 50 -7.515 -0.029 0.289 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.511 -0.615 2.181 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.327 1.875 2.211 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.457 1.246 0.552 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.873 1.986 1.335 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.328 0.200 3.567 1.00 0.00 N ATOM 1064 CA ASN B 51 -9.060 0.123 4.834 1.00 0.00 C ATOM 1065 C ASN B 51 -8.803 -1.188 5.629 1.00 0.00 C ATOM 1066 O ASN B 51 -8.955 -1.202 6.851 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.543 0.353 4.525 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.405 0.405 5.777 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -12.105 -0.544 6.112 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.387 1.510 6.497 1.00 0.00 N ATOM 0 H ASN B 51 -8.938 0.327 2.760 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.693 0.899 5.506 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.654 1.287 3.974 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.902 -0.445 3.875 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.958 1.579 7.339 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -10.802 2.295 6.212 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.336 -2.262 4.970 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.849 -3.506 5.607 1.00 0.00 C ATOM 1079 C GLU B 52 -6.574 -3.296 6.437 1.00 0.00 C ATOM 1080 O GLU B 52 -6.461 -3.825 7.544 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.625 -4.594 4.540 1.00 0.00 C ATOM 1082 CG GLU B 52 -7.576 -6.033 5.061 1.00 0.00 C ATOM 1083 CD GLU B 52 -6.226 -6.438 5.646 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -5.184 -6.189 4.998 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -6.219 -7.070 6.726 1.00 0.00 O ATOM 0 H GLU B 52 -8.284 -2.294 3.952 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.622 -3.830 6.304 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.422 -4.522 3.800 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.690 -4.382 4.022 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -8.343 -6.158 5.825 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -7.825 -6.712 4.246 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.655 -2.452 5.947 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.463 -1.949 6.678 1.00 0.00 C ATOM 1094 C GLU B 53 -4.781 -0.787 7.631 1.00 0.00 C ATOM 1095 O GLU B 53 -3.966 -0.452 8.491 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.384 -1.477 5.684 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.966 -1.698 6.219 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.911 -1.041 5.341 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -1.026 -1.082 4.098 1.00 0.00 O ATOM 1100 OE2 GLU B 53 0.086 -0.531 5.896 1.00 0.00 O ATOM 0 H GLU B 53 -5.715 -2.082 4.998 1.00 0.00 H new ATOM 0 HA GLU B 53 -4.105 -2.787 7.276 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.502 -2.012 4.742 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.528 -0.418 5.470 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.895 -1.298 7.230 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.767 -2.768 6.284 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.965 -0.187 7.457 1.00 0.00 N ATOM 1108 CA GLU B 54 -6.573 0.939 8.208 1.00 0.00 C ATOM 1109 C GLU B 54 -6.288 2.301 7.545 1.00 0.00 C ATOM 1110 O GLU B 54 -6.066 3.315 8.206 1.00 0.00 O ATOM 1111 CB GLU B 54 -6.253 0.894 9.716 1.00 0.00 C ATOM 1112 CG GLU B 54 -7.370 1.526 10.542 1.00 0.00 C ATOM 1113 CD GLU B 54 -6.985 1.537 12.016 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -7.278 0.541 12.717 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -6.407 2.548 12.478 1.00 0.00 O ATOM 0 H GLU B 54 -6.590 -0.503 6.715 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.654 0.810 8.152 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -6.108 -0.140 10.028 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -5.316 1.418 9.906 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -7.556 2.544 10.199 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -8.296 0.968 10.404 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.292 2.285 6.205 1.00 0.00 N ATOM 1123 CA GLU B 55 -6.049 3.369 5.230 1.00 0.00 C ATOM 1124 C GLU B 55 -4.567 3.720 5.063 1.00 0.00 C ATOM 1125 O GLU B 55 -3.910 4.238 5.966 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.892 4.626 5.475 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.393 4.333 5.522 1.00 0.00 C ATOM 1128 CD GLU B 55 -9.164 5.631 5.722 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -9.405 6.343 4.721 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -9.541 5.929 6.877 1.00 0.00 O ATOM 0 H GLU B 55 -6.488 1.411 5.717 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.386 2.948 4.283 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.586 5.085 6.415 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.692 5.351 4.686 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.708 3.851 4.597 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.613 3.640 6.334 1.00 0.00 H new ATOM 1137 N SER B 56 -4.050 3.416 3.874 1.00 0.00 N ATOM 1138 CA SER B 56 -2.633 3.494 3.484 1.00 0.00 C ATOM 1139 C SER B 56 -2.482 3.713 1.962 1.00 0.00 C ATOM 1140 O SER B 56 -1.493 3.303 1.343 1.00 0.00 O ATOM 1141 CB SER B 56 -1.923 2.203 3.923 1.00 0.00 C ATOM 1142 OG SER B 56 -2.501 1.073 3.298 1.00 0.00 O ATOM 0 H SER B 56 -4.639 3.089 3.108 1.00 0.00 H new ATOM 0 HA SER B 56 -2.174 4.350 3.979 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.864 2.261 3.671 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.987 2.098 5.006 1.00 0.00 H new ATOM 0 HG SER B 56 -1.924 0.293 3.435 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.505 4.305 1.324 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.564 4.501 -0.138 1.00 0.00 C ATOM 1150 C VAL B 57 -2.303 5.210 -0.661 1.00 0.00 C ATOM 1151 O VAL B 57 -1.962 6.308 -0.217 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.811 5.272 -0.628 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.959 4.298 -0.859 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.323 6.351 0.333 1.00 0.00 C ATOM 0 H VAL B 57 -4.325 4.666 1.812 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.629 3.492 -0.545 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.487 5.772 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.836 4.845 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.669 3.565 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -6.195 3.786 0.074 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.199 6.836 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -5.593 5.893 1.284 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -4.541 7.093 0.497 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.581 4.550 -1.567 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.227 4.926 -2.012 1.00 0.00 C ATOM 1166 C GLY B 58 0.784 3.819 -1.707 1.00 0.00 C ATOM 1167 O GLY B 58 1.407 3.269 -2.611 1.00 0.00 O ATOM 0 H GLY B 58 -1.929 3.710 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.237 5.128 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.079 5.848 -1.516 1.00 0.00 H new ATOM 1171 N SER B 59 0.861 3.392 -0.448 1.00 0.00 N ATOM 1172 CA SER B 59 1.636 2.223 -0.035 1.00 0.00 C ATOM 1173 C SER B 59 0.948 0.916 -0.436 1.00 0.00 C ATOM 1174 O SER B 59 1.611 0.009 -0.932 1.00 0.00 O ATOM 1175 CB SER B 59 1.813 2.252 1.485 1.00 0.00 C ATOM 1176 OG SER B 59 2.456 3.438 1.927 1.00 0.00 O ATOM 0 H SER B 59 0.381 3.854 0.324 1.00 0.00 H new ATOM 0 HA SER B 59 2.603 2.263 -0.537 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.838 2.169 1.964 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.396 1.386 1.798 1.00 0.00 H new ATOM 0 HG SER B 59 2.547 3.416 2.902 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.381 0.817 -0.303 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.132 -0.403 -0.655 1.00 0.00 C ATOM 1184 C TYR B 60 -1.004 -0.797 -2.139 1.00 0.00 C ATOM 1185 O TYR B 60 -0.899 -1.973 -2.477 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.607 -0.233 -0.279 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.265 -1.539 0.130 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.740 -2.429 -0.850 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.364 -1.897 1.490 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.321 -3.650 -0.470 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.967 -3.111 1.867 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.450 -3.989 0.884 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.030 -5.171 1.235 1.00 0.00 O ATOM 0 H TYR B 60 -0.967 1.574 0.049 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.689 -1.218 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.688 0.481 0.540 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.147 0.191 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.658 -2.173 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -2.974 -1.234 2.248 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.672 -4.334 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.058 -3.367 2.912 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.041 -5.253 2.212 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.929 0.207 -3.017 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.620 0.056 -4.458 1.00 0.00 C ATOM 1205 C ILE B 61 0.704 -0.684 -4.623 1.00 0.00 C ATOM 1206 O ILE B 61 0.772 -1.742 -5.249 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.544 1.463 -5.122 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -1.941 2.079 -5.268 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.130 1.498 -6.513 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -1.959 3.605 -5.353 1.00 0.00 C ATOM 0 H ILE B 61 -1.084 1.178 -2.746 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.406 -0.522 -4.945 1.00 0.00 H new ATOM 0 HB ILE B 61 0.084 2.037 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.411 1.673 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.551 1.768 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.134 2.521 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.156 1.138 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.423 0.859 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -2.987 3.952 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.522 4.025 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.380 3.928 -6.218 1.00 0.00 H new ATOM 1222 N LYS B 62 1.750 -0.153 -3.993 1.00 0.00 N ATOM 1223 CA LYS B 62 3.066 -0.764 -4.030 1.00 0.00 C ATOM 1224 C LYS B 62 3.047 -2.161 -3.398 1.00 0.00 C ATOM 1225 O LYS B 62 3.489 -3.108 -4.038 1.00 0.00 O ATOM 1226 CB LYS B 62 4.086 0.196 -3.380 1.00 0.00 C ATOM 1227 CG LYS B 62 5.307 0.392 -4.297 1.00 0.00 C ATOM 1228 CD LYS B 62 6.336 1.406 -3.768 1.00 0.00 C ATOM 1229 CE LYS B 62 7.136 0.862 -2.577 1.00 0.00 C ATOM 1230 NZ LYS B 62 8.122 1.844 -2.074 1.00 0.00 N ATOM 0 H LYS B 62 1.704 0.708 -3.447 1.00 0.00 H new ATOM 0 HA LYS B 62 3.377 -0.922 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.614 1.159 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.407 -0.203 -2.418 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.800 -0.570 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS B 62 4.962 0.719 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.023 1.675 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.821 2.319 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.451 0.593 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.653 -0.050 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.814 1.361 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.614 2.284 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.632 2.578 -1.524 1.00 0.00 H new ATOM 1244 N ARG B 63 2.444 -2.336 -2.218 1.00 0.00 N ATOM 1245 CA ARG B 63 2.302 -3.645 -1.565 1.00 0.00 C ATOM 1246 C ARG B 63 1.725 -4.694 -2.521 1.00 0.00 C ATOM 1247 O ARG B 63 2.231 -5.807 -2.578 1.00 0.00 O ATOM 1248 CB ARG B 63 1.387 -3.596 -0.328 1.00 0.00 C ATOM 1249 CG ARG B 63 1.957 -2.899 0.913 1.00 0.00 C ATOM 1250 CD ARG B 63 1.001 -3.174 2.085 1.00 0.00 C ATOM 1251 NE ARG B 63 1.343 -2.430 3.307 1.00 0.00 N ATOM 1252 CZ ARG B 63 2.314 -2.675 4.167 1.00 0.00 C ATOM 1253 NH1 ARG B 63 3.217 -3.599 3.975 1.00 0.00 N ATOM 1254 NH2 ARG B 63 2.388 -1.985 5.269 1.00 0.00 N ATOM 0 H ARG B 63 2.037 -1.569 -1.684 1.00 0.00 H new ATOM 0 HA ARG B 63 3.312 -3.920 -1.259 1.00 0.00 H new ATOM 0 HB2 ARG B 63 0.461 -3.093 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG B 63 1.125 -4.618 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG B 63 2.955 -3.275 1.138 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.051 -1.827 0.740 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -0.014 -2.916 1.784 1.00 0.00 H new ATOM 0 HD3 ARG B 63 1.006 -4.241 2.305 1.00 0.00 H new ATOM 0 HE ARG B 63 0.756 -1.623 3.516 1.00 0.00 H new ATOM 0 HH11 ARG B 63 3.191 -4.170 3.130 1.00 0.00 H new ATOM 0 HH12 ARG B 63 3.948 -3.750 4.670 1.00 0.00 H new ATOM 0 HH21 ARG B 63 1.698 -1.260 5.464 1.00 0.00 H new ATOM 0 HH22 ARG B 63 3.136 -2.170 5.937 1.00 0.00 H new ATOM 1268 N TYR B 64 0.705 -4.349 -3.306 1.00 0.00 N ATOM 1269 CA TYR B 64 0.004 -5.311 -4.159 1.00 0.00 C ATOM 1270 C TYR B 64 0.819 -5.739 -5.388 1.00 0.00 C ATOM 1271 O TYR B 64 0.885 -6.917 -5.741 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.362 -4.734 -4.544 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.414 -5.826 -4.521 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.446 -6.807 -5.532 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.248 -5.964 -3.396 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.300 -7.919 -5.406 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.121 -7.062 -3.287 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.148 -8.040 -4.294 1.00 0.00 C ATOM 1279 OH TYR B 64 -4.976 -9.118 -4.191 1.00 0.00 O ATOM 0 H TYR B 64 0.341 -3.398 -3.369 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.139 -6.229 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.637 -3.938 -3.852 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.310 -4.289 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.816 -6.706 -6.403 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.218 -5.222 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.303 -8.683 -6.169 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.770 -7.153 -2.429 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.496 -9.053 -3.363 1.00 0.00 H new ATOM 1289 N ILE B 65 1.532 -4.777 -5.968 1.00 0.00 N ATOM 1290 CA ILE B 65 2.542 -4.984 -7.017 1.00 0.00 C ATOM 1291 C ILE B 65 3.684 -5.850 -6.476 1.00 0.00 C ATOM 1292 O ILE B 65 4.043 -6.855 -7.083 1.00 0.00 O ATOM 1293 CB ILE B 65 3.075 -3.626 -7.540 1.00 0.00 C ATOM 1294 CG1 ILE B 65 2.041 -2.804 -8.337 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.349 -3.768 -8.392 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.635 -3.403 -9.689 1.00 0.00 C ATOM 0 H ILE B 65 1.423 -3.795 -5.716 1.00 0.00 H new ATOM 0 HA ILE B 65 2.079 -5.504 -7.856 1.00 0.00 H new ATOM 0 HB ILE B 65 3.308 -3.082 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.146 -2.685 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.446 -1.806 -8.506 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.673 -2.783 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.138 -4.225 -7.794 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.140 -4.397 -9.257 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.906 -2.752 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.515 -3.495 -10.325 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.195 -4.388 -9.533 1.00 0.00 H new ATOM 1308 N LEU B 66 4.211 -5.503 -5.301 1.00 0.00 N ATOM 1309 CA LEU B 66 5.388 -6.134 -4.698 1.00 0.00 C ATOM 1310 C LEU B 66 5.054 -7.562 -4.238 1.00 0.00 C ATOM 1311 O LEU B 66 5.855 -8.480 -4.413 1.00 0.00 O ATOM 1312 CB LEU B 66 5.871 -5.255 -3.527 1.00 0.00 C ATOM 1313 CG LEU B 66 6.781 -4.053 -3.884 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.619 -3.437 -5.276 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.583 -2.928 -2.866 1.00 0.00 C ATOM 0 H LEU B 66 3.821 -4.756 -4.726 1.00 0.00 H new ATOM 0 HA LEU B 66 6.190 -6.215 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.994 -4.873 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.409 -5.891 -2.824 1.00 0.00 H new ATOM 0 HG LEU B 66 7.779 -4.492 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.316 -2.607 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.826 -4.192 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.599 -3.073 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.226 -2.087 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.542 -2.606 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.840 -3.289 -1.870 1.00 0.00 H new ATOM 1327 N LYS B 67 3.837 -7.766 -3.733 1.00 0.00 N ATOM 1328 CA LYS B 67 3.303 -9.072 -3.362 1.00 0.00 C ATOM 1329 C LYS B 67 3.144 -9.985 -4.586 1.00 0.00 C ATOM 1330 O LYS B 67 3.580 -11.137 -4.566 1.00 0.00 O ATOM 1331 CB LYS B 67 1.967 -8.865 -2.637 1.00 0.00 C ATOM 1332 CG LYS B 67 1.395 -10.178 -2.077 1.00 0.00 C ATOM 1333 CD LYS B 67 0.095 -9.983 -1.278 1.00 0.00 C ATOM 1334 CE LYS B 67 0.319 -9.197 0.022 1.00 0.00 C ATOM 1335 NZ LYS B 67 -0.915 -9.114 0.835 1.00 0.00 N ATOM 0 H LYS B 67 3.179 -7.004 -3.567 1.00 0.00 H new ATOM 0 HA LYS B 67 4.004 -9.574 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS B 67 2.105 -8.155 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.247 -8.423 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS B 67 1.207 -10.865 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.141 -10.647 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.633 -9.457 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.332 -10.957 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS B 67 1.106 -9.675 0.605 1.00 0.00 H new ATOM 0 HE3 LYS B 67 0.665 -8.191 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -0.723 -8.576 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.659 -8.635 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -1.232 -10.073 1.084 1.00 0.00 H new ATOM 1349 N ALA B 68 2.578 -9.460 -5.675 1.00 0.00 N ATOM 1350 CA ALA B 68 2.437 -10.212 -6.926 1.00 0.00 C ATOM 1351 C ALA B 68 3.795 -10.502 -7.612 1.00 0.00 C ATOM 1352 O ALA B 68 3.972 -11.547 -8.241 1.00 0.00 O ATOM 1353 CB ALA B 68 1.477 -9.444 -7.837 1.00 0.00 C ATOM 0 H ALA B 68 2.207 -8.511 -5.716 1.00 0.00 H new ATOM 0 HA ALA B 68 2.026 -11.197 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.356 -9.984 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.509 -9.347 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.882 -8.452 -8.039 1.00 0.00 H new ATOM 1359 N LEU B 69 4.792 -9.629 -7.435 1.00 0.00 N ATOM 1360 CA LEU B 69 6.153 -9.759 -7.971 1.00 0.00 C ATOM 1361 C LEU B 69 6.945 -10.933 -7.375 1.00 0.00 C ATOM 1362 O LEU B 69 7.854 -11.459 -8.018 1.00 0.00 O ATOM 1363 CB LEU B 69 6.899 -8.431 -7.736 1.00 0.00 C ATOM 1364 CG LEU B 69 7.280 -7.668 -9.011 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.097 -7.276 -9.894 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.006 -6.386 -8.619 1.00 0.00 C ATOM 0 H LEU B 69 4.668 -8.775 -6.891 1.00 0.00 H new ATOM 0 HA LEU B 69 6.068 -9.978 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.276 -7.786 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.807 -8.637 -7.169 1.00 0.00 H new ATOM 0 HG LEU B 69 7.902 -8.350 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.460 -6.741 -10.772 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.566 -8.174 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.420 -6.633 -9.331 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.282 -5.835 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.351 -5.771 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.905 -6.635 -8.056 1.00 0.00 H new ATOM 1378 N ARG B 70 6.573 -11.380 -6.175 1.00 0.00 N ATOM 1379 CA ARG B 70 7.118 -12.593 -5.555 1.00 0.00 C ATOM 1380 C ARG B 70 6.814 -13.883 -6.353 1.00 0.00 C ATOM 1381 O ARG B 70 7.485 -14.900 -6.164 1.00 0.00 O ATOM 1382 CB ARG B 70 6.593 -12.756 -4.117 1.00 0.00 C ATOM 1383 CG ARG B 70 7.025 -11.617 -3.180 1.00 0.00 C ATOM 1384 CD ARG B 70 6.438 -11.804 -1.779 1.00 0.00 C ATOM 1385 NE ARG B 70 6.796 -10.675 -0.901 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.502 -10.550 0.382 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.827 -11.456 1.037 1.00 0.00 N ATOM 1388 NH2 ARG B 70 6.884 -9.492 1.043 1.00 0.00 N ATOM 0 H ARG B 70 5.878 -10.907 -5.598 1.00 0.00 H new ATOM 0 HA ARG B 70 8.200 -12.459 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.504 -12.806 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.948 -13.704 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG B 70 8.113 -11.584 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.699 -10.661 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.353 -11.889 -1.844 1.00 0.00 H new ATOM 0 HD3 ARG B 70 6.806 -12.735 -1.348 1.00 0.00 H new ATOM 0 HE ARG B 70 7.324 -9.913 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.506 -12.298 0.559 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.621 -11.322 2.027 1.00 0.00 H new ATOM 0 HH21 ARG B 70 7.411 -8.758 0.570 1.00 0.00 H new ATOM 0 HH22 ARG B 70 6.655 -9.399 2.033 1.00 0.00 H new ATOM 1402 N LYS B 71 5.781 -13.859 -7.206 1.00 0.00 N ATOM 1403 CA LYS B 71 5.150 -15.054 -7.785 1.00 0.00 C ATOM 1404 C LYS B 71 4.447 -14.794 -9.144 1.00 0.00 C ATOM 1405 O LYS B 71 3.396 -15.373 -9.426 1.00 0.00 O ATOM 1406 CB LYS B 71 4.220 -15.680 -6.721 1.00 0.00 C ATOM 1407 CG LYS B 71 3.111 -14.741 -6.201 1.00 0.00 C ATOM 1408 CD LYS B 71 2.201 -15.424 -5.164 1.00 0.00 C ATOM 1409 CE LYS B 71 2.953 -15.787 -3.874 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.072 -16.441 -2.884 1.00 0.00 N ATOM 0 H LYS B 71 5.351 -12.989 -7.520 1.00 0.00 H new ATOM 0 HA LYS B 71 5.930 -15.771 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.755 -16.570 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS B 71 4.826 -16.007 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.567 -13.858 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.506 -14.398 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS B 71 1.369 -14.762 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS B 71 1.774 -16.328 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS B 71 3.784 -16.450 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS B 71 3.381 -14.884 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 2.619 -16.669 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 1.293 -15.799 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 1.683 -17.316 -3.290 1.00 0.00 H new ATOM 1424 N ILE B 72 5.011 -13.913 -9.985 1.00 0.00 N ATOM 1425 CA ILE B 72 4.459 -13.520 -11.300 1.00 0.00 C ATOM 1426 C ILE B 72 3.993 -14.721 -12.160 1.00 0.00 C ATOM 1427 O ILE B 72 2.894 -14.696 -12.726 1.00 0.00 O ATOM 1428 CB ILE B 72 5.494 -12.663 -12.078 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.986 -11.455 -11.245 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.903 -12.194 -13.421 1.00 0.00 C ATOM 1431 CD1 ILE B 72 6.932 -10.487 -11.968 1.00 0.00 C ATOM 0 H ILE B 72 5.888 -13.439 -9.767 1.00 0.00 H new ATOM 0 HA ILE B 72 3.566 -12.929 -11.098 1.00 0.00 H new ATOM 0 HB ILE B 72 6.361 -13.294 -12.276 1.00 0.00 H new ATOM 0 HG12 ILE B 72 5.116 -10.895 -10.903 1.00 0.00 H new ATOM 0 HG13 ILE B 72 6.492 -11.832 -10.356 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.641 -11.595 -13.954 1.00 0.00 H new ATOM 0 HG22 ILE B 72 4.637 -13.062 -14.024 1.00 0.00 H new ATOM 0 HG23 ILE B 72 4.012 -11.593 -13.237 1.00 0.00 H new ATOM 0 HD11 ILE B 72 7.213 -9.680 -11.292 1.00 0.00 H new ATOM 0 HD12 ILE B 72 7.827 -11.022 -12.286 1.00 0.00 H new ATOM 0 HD13 ILE B 72 6.429 -10.070 -12.841 1.00 0.00 H new ATOM 1443 N GLU B 73 4.816 -15.778 -12.235 1.00 0.00 N ATOM 1444 CA GLU B 73 4.568 -17.031 -12.977 1.00 0.00 C ATOM 1445 C GLU B 73 5.350 -18.194 -12.357 1.00 0.00 C ATOM 1446 O GLU B 73 4.719 -19.220 -12.026 1.00 0.00 O ATOM 1447 CB GLU B 73 4.937 -16.851 -14.461 1.00 0.00 C ATOM 1448 CG GLU B 73 4.434 -17.972 -15.375 1.00 0.00 C ATOM 1449 CD GLU B 73 2.922 -17.921 -15.562 1.00 0.00 C ATOM 1450 OE1 GLU B 73 2.449 -17.068 -16.348 1.00 0.00 O ATOM 1451 OE2 GLU B 73 2.212 -18.760 -14.963 1.00 0.00 O ATOM 0 H GLU B 73 5.717 -15.786 -11.758 1.00 0.00 H new ATOM 0 HA GLU B 73 3.506 -17.270 -12.911 1.00 0.00 H new ATOM 0 HB2 GLU B 73 4.531 -15.902 -14.812 1.00 0.00 H new ATOM 0 HB3 GLU B 73 6.022 -16.786 -14.548 1.00 0.00 H new ATOM 0 HG2 GLU B 73 4.922 -17.894 -16.346 1.00 0.00 H new ATOM 0 HG3 GLU B 73 4.715 -18.937 -14.953 1.00 0.00 H new TER 1458 GLU B 73