USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -4.43! C(o=-25!,f=-28!) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -17.4! C(o=-25!,f=-29!) USER MOD Set 1.3: A 61 TYR OH : rot -15:sc= -2.77! USER MOD Single : A 1 ALA N :NH3+ -169:sc= -0.0609 (180deg=-0.262) USER MOD Single : A 8 THR OG1 : rot 78:sc= 0.0639 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -160:sc= 0.117 USER MOD Single : A 15 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.31) USER MOD Single : A 20 SER OG : rot -67:sc= 0.0458 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.369 (180deg=-2.29!) USER MOD Single : A 24 GLN : amide:sc= -6.34! C(o=-6.3!,f=-7.1!) USER MOD Single : A 26 THR OG1 : rot -100:sc= 0.00496 USER MOD Single : A 28 ASN : amide:sc= -0.0353 K(o=-0.035,f=-0.87) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 142:sc= 0.0565 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.27) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.267 USER MOD Single : A 81 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.023) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= -0.0163 (180deg=-0.317) USER MOD Single : A 86 GLN : amide:sc= -0.012 K(o=-0.012,f=-0.56) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.858 15.579 -3.415 1.00 0.00 N ATOM 2 CA ALA A 1 -11.422 15.675 -3.033 1.00 0.00 C ATOM 3 C ALA A 1 -11.312 15.958 -1.533 1.00 0.00 C ATOM 4 O ALA A 1 -10.313 15.663 -0.908 1.00 0.00 O ATOM 5 CB ALA A 1 -10.760 16.812 -3.815 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.936 15.206 -4.383 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.350 14.941 -2.757 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.292 16.523 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.921 14.735 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.709 16.882 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.839 16.612 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.261 17.752 -3.584 1.00 0.00 H new ATOM 13 N GLU A 2 -12.331 16.528 -0.950 1.00 0.00 N ATOM 14 CA GLU A 2 -12.284 16.829 0.508 1.00 0.00 C ATOM 15 C GLU A 2 -10.945 17.486 0.850 1.00 0.00 C ATOM 16 O GLU A 2 -10.164 17.816 -0.020 1.00 0.00 O ATOM 17 CB GLU A 2 -12.431 15.530 1.301 1.00 0.00 C ATOM 18 CG GLU A 2 -13.897 15.092 1.297 1.00 0.00 C ATOM 19 CD GLU A 2 -14.705 16.003 2.224 1.00 0.00 C ATOM 20 OE1 GLU A 2 -14.936 17.141 1.850 1.00 0.00 O ATOM 21 OE2 GLU A 2 -15.079 15.546 3.292 1.00 0.00 O ATOM 0 H GLU A 2 -13.194 16.798 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.098 17.507 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.807 14.751 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.087 15.676 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.298 15.138 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.979 14.056 1.626 1.00 0.00 H new ATOM 28 N VAL A 3 -10.675 17.678 2.112 1.00 0.00 N ATOM 29 CA VAL A 3 -9.388 18.313 2.511 1.00 0.00 C ATOM 30 C VAL A 3 -8.561 17.316 3.325 1.00 0.00 C ATOM 31 O VAL A 3 -7.454 16.970 2.962 1.00 0.00 O ATOM 32 CB VAL A 3 -9.675 19.551 3.361 1.00 0.00 C ATOM 33 CG1 VAL A 3 -8.373 20.055 3.987 1.00 0.00 C ATOM 34 CG2 VAL A 3 -10.272 20.647 2.474 1.00 0.00 C ATOM 0 H VAL A 3 -11.291 17.422 2.884 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.832 18.605 1.620 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.381 19.295 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.578 20.938 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.946 19.274 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.666 20.313 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.478 21.531 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.564 20.902 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.199 20.289 2.027 1.00 0.00 H new ATOM 44 N ARG A 4 -9.090 16.851 4.424 1.00 0.00 N ATOM 45 CA ARG A 4 -8.336 15.875 5.260 1.00 0.00 C ATOM 46 C ARG A 4 -8.053 14.613 4.440 1.00 0.00 C ATOM 47 O ARG A 4 -8.624 14.421 3.385 1.00 0.00 O ATOM 48 CB ARG A 4 -9.172 15.505 6.488 1.00 0.00 C ATOM 49 CG ARG A 4 -8.506 16.060 7.748 1.00 0.00 C ATOM 50 CD ARG A 4 -9.233 15.532 8.986 1.00 0.00 C ATOM 51 NE ARG A 4 -8.328 15.613 10.167 1.00 0.00 N ATOM 52 CZ ARG A 4 -8.800 15.979 11.327 1.00 0.00 C ATOM 53 NH1 ARG A 4 -9.665 15.228 11.949 1.00 0.00 N ATOM 54 NH2 ARG A 4 -8.405 17.100 11.866 1.00 0.00 N ATOM 0 H ARG A 4 -10.012 17.105 4.779 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.394 16.321 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.180 15.908 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.268 14.422 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.457 15.766 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.532 17.150 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.136 16.115 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.546 14.500 8.825 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.339 15.382 10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.975 14.352 11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.032 15.517 12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.728 17.689 11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.773 17.387 12.773 1.00 0.00 H new ATOM 68 N PRO A 5 -7.176 13.789 4.954 1.00 0.00 N ATOM 69 CA PRO A 5 -6.790 12.530 4.293 1.00 0.00 C ATOM 70 C PRO A 5 -7.872 11.462 4.508 1.00 0.00 C ATOM 71 O PRO A 5 -8.484 11.407 5.556 1.00 0.00 O ATOM 72 CB PRO A 5 -5.491 12.137 5.002 1.00 0.00 C ATOM 73 CG PRO A 5 -5.508 12.855 6.372 1.00 0.00 C ATOM 74 CD PRO A 5 -6.487 14.036 6.238 1.00 0.00 C ATOM 0 HA PRO A 5 -6.669 12.630 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.430 11.056 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.622 12.438 4.416 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.827 12.175 7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.511 13.206 6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.192 14.066 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.961 14.991 6.231 1.00 0.00 H new ATOM 82 N PRO A 6 -8.073 10.644 3.505 1.00 0.00 N ATOM 83 CA PRO A 6 -9.073 9.564 3.550 1.00 0.00 C ATOM 84 C PRO A 6 -8.536 8.372 4.351 1.00 0.00 C ATOM 85 O PRO A 6 -7.545 8.475 5.046 1.00 0.00 O ATOM 86 CB PRO A 6 -9.265 9.192 2.078 1.00 0.00 C ATOM 87 CG PRO A 6 -7.987 9.657 1.340 1.00 0.00 C ATOM 88 CD PRO A 6 -7.323 10.721 2.235 1.00 0.00 C ATOM 0 HA PRO A 6 -10.004 9.860 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.410 8.118 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.150 9.678 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.312 8.819 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.233 10.072 0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.264 10.511 2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.392 11.714 1.791 1.00 0.00 H new ATOM 96 N PHE A 7 -9.182 7.241 4.258 1.00 0.00 N ATOM 97 CA PHE A 7 -8.705 6.046 5.015 1.00 0.00 C ATOM 98 C PHE A 7 -8.738 4.818 4.102 1.00 0.00 C ATOM 99 O PHE A 7 -8.505 3.706 4.535 1.00 0.00 O ATOM 100 CB PHE A 7 -9.602 5.800 6.235 1.00 0.00 C ATOM 101 CG PHE A 7 -10.954 6.445 6.025 1.00 0.00 C ATOM 102 CD1 PHE A 7 -11.802 5.982 5.012 1.00 0.00 C ATOM 103 CD2 PHE A 7 -11.357 7.506 6.846 1.00 0.00 C ATOM 104 CE1 PHE A 7 -13.053 6.580 4.820 1.00 0.00 C ATOM 105 CE2 PHE A 7 -12.608 8.104 6.653 1.00 0.00 C ATOM 106 CZ PHE A 7 -13.456 7.641 5.640 1.00 0.00 C ATOM 0 H PHE A 7 -10.018 7.092 3.692 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.685 6.225 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.723 4.729 6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.131 6.207 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -11.491 5.164 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -10.703 7.863 7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.708 6.223 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.919 8.922 7.286 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.421 8.102 5.491 1.00 0.00 H new ATOM 116 N THR A 8 -9.023 5.006 2.841 1.00 0.00 N ATOM 117 CA THR A 8 -9.065 3.846 1.907 1.00 0.00 C ATOM 118 C THR A 8 -7.675 3.634 1.303 1.00 0.00 C ATOM 119 O THR A 8 -7.520 3.504 0.105 1.00 0.00 O ATOM 120 CB THR A 8 -10.069 4.125 0.786 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.555 5.455 0.907 1.00 0.00 O ATOM 122 CG2 THR A 8 -11.237 3.142 0.886 1.00 0.00 C ATOM 0 H THR A 8 -9.228 5.912 2.419 1.00 0.00 H new ATOM 0 HA THR A 8 -9.370 2.952 2.451 1.00 0.00 H new ATOM 0 HB THR A 8 -9.578 4.004 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.884 6.081 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.951 3.342 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.864 2.122 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.730 3.260 1.851 1.00 0.00 H new ATOM 130 N TYR A 9 -6.663 3.603 2.125 1.00 0.00 N ATOM 131 CA TYR A 9 -5.281 3.406 1.602 1.00 0.00 C ATOM 132 C TYR A 9 -5.109 1.957 1.143 1.00 0.00 C ATOM 133 O TYR A 9 -4.426 1.677 0.179 1.00 0.00 O ATOM 134 CB TYR A 9 -4.265 3.713 2.706 1.00 0.00 C ATOM 135 CG TYR A 9 -4.062 5.207 2.813 1.00 0.00 C ATOM 136 CD1 TYR A 9 -5.144 6.081 2.646 1.00 0.00 C ATOM 137 CD2 TYR A 9 -2.786 5.719 3.082 1.00 0.00 C ATOM 138 CE1 TYR A 9 -4.951 7.464 2.748 1.00 0.00 C ATOM 139 CE2 TYR A 9 -2.593 7.102 3.185 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.676 7.973 3.017 1.00 0.00 C ATOM 141 OH TYR A 9 -3.484 9.336 3.119 1.00 0.00 O ATOM 0 H TYR A 9 -6.733 3.706 3.137 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.116 4.077 0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.617 3.315 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.317 3.223 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.128 5.688 2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.951 5.047 3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.786 8.137 2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.610 7.496 3.394 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.541 9.520 3.310 1.00 0.00 H new ATOM 151 N ALA A 10 -5.721 1.031 1.830 1.00 0.00 N ATOM 152 CA ALA A 10 -5.590 -0.400 1.436 1.00 0.00 C ATOM 153 C ALA A 10 -5.935 -0.560 -0.046 1.00 0.00 C ATOM 154 O ALA A 10 -5.137 -1.029 -0.833 1.00 0.00 O ATOM 155 CB ALA A 10 -6.545 -1.249 2.278 1.00 0.00 C ATOM 0 H ALA A 10 -6.306 1.204 2.647 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.565 -0.729 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.450 -2.296 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.296 -1.138 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.570 -0.918 2.110 1.00 0.00 H new ATOM 161 N SER A 11 -7.120 -0.177 -0.435 1.00 0.00 N ATOM 162 CA SER A 11 -7.517 -0.312 -1.865 1.00 0.00 C ATOM 163 C SER A 11 -6.514 0.430 -2.752 1.00 0.00 C ATOM 164 O SER A 11 -6.093 -0.068 -3.777 1.00 0.00 O ATOM 165 CB SER A 11 -8.911 0.284 -2.063 1.00 0.00 C ATOM 166 OG SER A 11 -9.458 0.629 -0.797 1.00 0.00 O ATOM 0 H SER A 11 -7.831 0.224 0.176 1.00 0.00 H new ATOM 0 HA SER A 11 -7.528 -1.367 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.855 1.166 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.558 -0.434 -2.568 1.00 0.00 H new ATOM 0 HG SER A 11 -10.432 0.706 -0.872 1.00 0.00 H new ATOM 172 N LEU A 12 -6.129 1.616 -2.368 1.00 0.00 N ATOM 173 CA LEU A 12 -5.154 2.385 -3.193 1.00 0.00 C ATOM 174 C LEU A 12 -3.926 1.515 -3.476 1.00 0.00 C ATOM 175 O LEU A 12 -3.548 1.310 -4.613 1.00 0.00 O ATOM 176 CB LEU A 12 -4.725 3.643 -2.434 1.00 0.00 C ATOM 177 CG LEU A 12 -5.726 4.768 -2.701 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.512 5.895 -1.688 1.00 0.00 C ATOM 179 CD2 LEU A 12 -5.519 5.310 -4.117 1.00 0.00 C ATOM 0 H LEU A 12 -6.447 2.086 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.621 2.671 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.672 3.435 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.727 3.948 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.740 4.381 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.226 6.696 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.660 5.510 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.498 6.282 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.232 6.112 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.504 5.696 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.673 4.508 -4.839 1.00 0.00 H new ATOM 191 N ILE A 13 -3.301 1.006 -2.451 1.00 0.00 N ATOM 192 CA ILE A 13 -2.097 0.152 -2.661 1.00 0.00 C ATOM 193 C ILE A 13 -2.421 -0.953 -3.668 1.00 0.00 C ATOM 194 O ILE A 13 -1.635 -1.259 -4.542 1.00 0.00 O ATOM 195 CB ILE A 13 -1.680 -0.478 -1.331 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.285 0.625 -0.349 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.487 -1.407 -1.555 1.00 0.00 C ATOM 198 CD1 ILE A 13 0.041 1.245 -0.789 1.00 0.00 C ATOM 0 H ILE A 13 -3.571 1.144 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.282 0.765 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.514 -1.050 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.062 1.389 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.192 0.215 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.191 -1.855 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.765 -2.194 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.347 -0.836 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.324 2.032 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.814 0.477 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.069 1.669 -1.787 1.00 0.00 H new ATOM 210 N ARG A 14 -3.571 -1.557 -3.550 1.00 0.00 N ATOM 211 CA ARG A 14 -3.943 -2.643 -4.499 1.00 0.00 C ATOM 212 C ARG A 14 -3.788 -2.139 -5.935 1.00 0.00 C ATOM 213 O ARG A 14 -3.339 -2.853 -6.808 1.00 0.00 O ATOM 214 CB ARG A 14 -5.396 -3.054 -4.256 1.00 0.00 C ATOM 215 CG ARG A 14 -5.688 -4.362 -4.992 1.00 0.00 C ATOM 216 CD ARG A 14 -7.138 -4.778 -4.734 1.00 0.00 C ATOM 217 NE ARG A 14 -7.803 -5.091 -6.030 1.00 0.00 N ATOM 218 CZ ARG A 14 -8.891 -4.457 -6.375 1.00 0.00 C ATOM 219 NH1 ARG A 14 -10.032 -4.771 -5.827 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.836 -3.511 -7.272 1.00 0.00 N ATOM 0 H ARG A 14 -4.269 -1.345 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.291 -3.503 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.576 -3.178 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.069 -2.271 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.519 -4.236 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.008 -5.143 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.167 -5.649 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.672 -3.977 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.408 -5.800 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.075 -5.513 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.881 -4.275 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.944 -3.268 -7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.685 -3.015 -7.543 1.00 0.00 H new ATOM 234 N GLN A 15 -4.154 -0.911 -6.185 1.00 0.00 N ATOM 235 CA GLN A 15 -4.028 -0.358 -7.560 1.00 0.00 C ATOM 236 C GLN A 15 -2.558 -0.389 -7.990 1.00 0.00 C ATOM 237 O GLN A 15 -2.200 -1.015 -8.966 1.00 0.00 O ATOM 238 CB GLN A 15 -4.536 1.085 -7.575 1.00 0.00 C ATOM 239 CG GLN A 15 -4.153 1.748 -8.898 1.00 0.00 C ATOM 240 CD GLN A 15 -5.405 2.315 -9.570 1.00 0.00 C ATOM 241 OE1 GLN A 15 -6.418 1.649 -9.657 1.00 0.00 O ATOM 242 NE2 GLN A 15 -5.380 3.527 -10.053 1.00 0.00 N ATOM 0 H GLN A 15 -4.536 -0.267 -5.493 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.620 -0.959 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.618 1.102 -7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.108 1.641 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.431 2.545 -8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.673 1.022 -9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.531 4.087 -9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.210 3.914 -10.503 1.00 0.00 H new ATOM 251 N ALA A 16 -1.704 0.284 -7.267 1.00 0.00 N ATOM 252 CA ALA A 16 -0.260 0.292 -7.635 1.00 0.00 C ATOM 253 C ALA A 16 0.230 -1.148 -7.791 1.00 0.00 C ATOM 254 O ALA A 16 0.803 -1.516 -8.798 1.00 0.00 O ATOM 255 CB ALA A 16 0.543 0.985 -6.532 1.00 0.00 C ATOM 0 H ALA A 16 -1.944 0.828 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.126 0.828 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.599 0.991 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.192 2.010 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.410 0.448 -5.593 1.00 0.00 H new ATOM 261 N ILE A 17 0.006 -1.965 -6.802 1.00 0.00 N ATOM 262 CA ILE A 17 0.453 -3.384 -6.883 1.00 0.00 C ATOM 263 C ILE A 17 -0.176 -4.051 -8.110 1.00 0.00 C ATOM 264 O ILE A 17 0.469 -4.791 -8.828 1.00 0.00 O ATOM 265 CB ILE A 17 0.000 -4.122 -5.624 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.544 -3.404 -4.383 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.515 -5.563 -5.653 1.00 0.00 C ATOM 268 CD1 ILE A 17 2.062 -3.580 -4.306 1.00 0.00 C ATOM 0 H ILE A 17 -0.470 -1.711 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 17 1.539 -3.421 -6.966 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.089 -4.133 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.293 -2.344 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.076 -3.806 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.189 -6.084 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.119 -6.073 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.604 -5.559 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.443 -3.068 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.302 -4.641 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.523 -3.156 -5.198 1.00 0.00 H new ATOM 280 N LEU A 18 -1.436 -3.802 -8.347 1.00 0.00 N ATOM 281 CA LEU A 18 -2.121 -4.425 -9.516 1.00 0.00 C ATOM 282 C LEU A 18 -1.360 -4.106 -10.806 1.00 0.00 C ATOM 283 O LEU A 18 -1.474 -4.809 -11.791 1.00 0.00 O ATOM 284 CB LEU A 18 -3.547 -3.875 -9.615 1.00 0.00 C ATOM 285 CG LEU A 18 -4.546 -5.013 -9.403 1.00 0.00 C ATOM 286 CD1 LEU A 18 -5.968 -4.504 -9.649 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.234 -6.147 -10.380 1.00 0.00 C ATOM 0 H LEU A 18 -2.023 -3.191 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.149 -5.506 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.701 -3.097 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.704 -3.415 -10.591 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.468 -5.379 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.677 -5.318 -9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.190 -3.695 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.051 -4.137 -10.672 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.944 -6.961 -10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.313 -5.778 -11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.222 -6.512 -10.203 1.00 0.00 H new ATOM 299 N GLU A 19 -0.590 -3.054 -10.816 1.00 0.00 N ATOM 300 CA GLU A 19 0.167 -2.701 -12.052 1.00 0.00 C ATOM 301 C GLU A 19 1.057 -3.879 -12.463 1.00 0.00 C ATOM 302 O GLU A 19 1.460 -3.996 -13.603 1.00 0.00 O ATOM 303 CB GLU A 19 1.030 -1.459 -11.789 1.00 0.00 C ATOM 304 CG GLU A 19 2.294 -1.851 -11.019 1.00 0.00 C ATOM 305 CD GLU A 19 3.412 -2.180 -12.009 1.00 0.00 C ATOM 306 OE1 GLU A 19 3.982 -1.252 -12.559 1.00 0.00 O ATOM 307 OE2 GLU A 19 3.680 -3.355 -12.201 1.00 0.00 O ATOM 0 H GLU A 19 -0.451 -2.425 -10.025 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.534 -2.485 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.302 -0.988 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.461 -0.725 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.602 -1.036 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.092 -2.712 -10.382 1.00 0.00 H new ATOM 314 N SER A 20 1.369 -4.750 -11.542 1.00 0.00 N ATOM 315 CA SER A 20 2.235 -5.915 -11.881 1.00 0.00 C ATOM 316 C SER A 20 1.363 -7.159 -12.091 1.00 0.00 C ATOM 317 O SER A 20 0.274 -7.247 -11.561 1.00 0.00 O ATOM 318 CB SER A 20 3.215 -6.165 -10.732 1.00 0.00 C ATOM 319 OG SER A 20 2.577 -6.951 -9.734 1.00 0.00 O ATOM 0 H SER A 20 1.062 -4.705 -10.570 1.00 0.00 H new ATOM 0 HA SER A 20 2.789 -5.705 -12.796 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.104 -6.677 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.546 -5.217 -10.308 1.00 0.00 H new ATOM 0 HG SER A 20 1.860 -6.430 -9.316 1.00 0.00 H new ATOM 325 N PRO A 21 1.877 -8.087 -12.860 1.00 0.00 N ATOM 326 CA PRO A 21 1.172 -9.345 -13.166 1.00 0.00 C ATOM 327 C PRO A 21 1.274 -10.317 -11.984 1.00 0.00 C ATOM 328 O PRO A 21 0.427 -11.167 -11.793 1.00 0.00 O ATOM 329 CB PRO A 21 1.914 -9.886 -14.391 1.00 0.00 C ATOM 330 CG PRO A 21 3.316 -9.229 -14.378 1.00 0.00 C ATOM 331 CD PRO A 21 3.204 -7.968 -13.498 1.00 0.00 C ATOM 0 HA PRO A 21 0.107 -9.207 -13.350 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.994 -10.972 -14.348 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.379 -9.641 -15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.062 -9.916 -13.978 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.632 -8.969 -15.389 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.001 -7.929 -12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.279 -7.059 -14.094 1.00 0.00 H new ATOM 339 N GLU A 22 2.300 -10.190 -11.186 1.00 0.00 N ATOM 340 CA GLU A 22 2.448 -11.099 -10.016 1.00 0.00 C ATOM 341 C GLU A 22 1.813 -10.448 -8.781 1.00 0.00 C ATOM 342 O GLU A 22 1.806 -11.009 -7.704 1.00 0.00 O ATOM 343 CB GLU A 22 3.933 -11.384 -9.745 1.00 0.00 C ATOM 344 CG GLU A 22 4.790 -10.191 -10.177 1.00 0.00 C ATOM 345 CD GLU A 22 6.203 -10.343 -9.610 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.706 -11.455 -9.615 1.00 0.00 O ATOM 347 OE2 GLU A 22 6.759 -9.345 -9.183 1.00 0.00 O ATOM 0 H GLU A 22 3.040 -9.497 -11.294 1.00 0.00 H new ATOM 0 HA GLU A 22 1.945 -12.041 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.084 -11.584 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.243 -12.278 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.828 -10.132 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.343 -9.262 -9.823 1.00 0.00 H new ATOM 354 N LYS A 23 1.269 -9.270 -8.939 1.00 0.00 N ATOM 355 CA LYS A 23 0.621 -8.570 -7.795 1.00 0.00 C ATOM 356 C LYS A 23 1.638 -8.305 -6.688 1.00 0.00 C ATOM 357 O LYS A 23 1.296 -8.263 -5.529 1.00 0.00 O ATOM 358 CB LYS A 23 -0.521 -9.425 -7.244 1.00 0.00 C ATOM 359 CG LYS A 23 -1.365 -8.591 -6.276 1.00 0.00 C ATOM 360 CD LYS A 23 -2.470 -7.874 -7.053 1.00 0.00 C ATOM 361 CE LYS A 23 -3.833 -8.274 -6.488 1.00 0.00 C ATOM 362 NZ LYS A 23 -4.754 -7.103 -6.542 1.00 0.00 N ATOM 0 H LYS A 23 1.247 -8.759 -9.822 1.00 0.00 H new ATOM 0 HA LYS A 23 0.226 -7.617 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.142 -9.791 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.120 -10.300 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.801 -9.233 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.736 -7.864 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.338 -6.794 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.413 -8.133 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.247 -9.103 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.726 -8.619 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.419 -7.147 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.201 -6.224 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.285 -7.120 -7.436 1.00 0.00 H new ATOM 376 N GLN A 24 2.876 -8.111 -7.038 1.00 0.00 N ATOM 377 CA GLN A 24 3.918 -7.832 -6.005 1.00 0.00 C ATOM 378 C GLN A 24 4.713 -6.596 -6.418 1.00 0.00 C ATOM 379 O GLN A 24 5.015 -6.407 -7.580 1.00 0.00 O ATOM 380 CB GLN A 24 4.887 -9.019 -5.878 1.00 0.00 C ATOM 381 CG GLN A 24 4.634 -10.042 -6.986 1.00 0.00 C ATOM 382 CD GLN A 24 5.682 -11.153 -6.897 1.00 0.00 C ATOM 383 OE1 GLN A 24 6.846 -10.928 -7.167 1.00 0.00 O ATOM 384 NE2 GLN A 24 5.318 -12.349 -6.524 1.00 0.00 N ATOM 0 H GLN A 24 3.217 -8.133 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 24 3.424 -7.670 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.916 -8.663 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.765 -9.492 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.633 -10.462 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.682 -9.558 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.341 -12.537 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.010 -13.096 -6.459 1.00 0.00 H new ATOM 393 N LEU A 25 5.063 -5.749 -5.487 1.00 0.00 N ATOM 394 CA LEU A 25 5.837 -4.544 -5.865 1.00 0.00 C ATOM 395 C LEU A 25 6.769 -4.113 -4.738 1.00 0.00 C ATOM 396 O LEU A 25 6.414 -4.143 -3.581 1.00 0.00 O ATOM 397 CB LEU A 25 4.879 -3.403 -6.199 1.00 0.00 C ATOM 398 CG LEU A 25 4.699 -3.308 -7.712 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.625 -2.267 -8.030 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.021 -2.890 -8.359 1.00 0.00 C ATOM 0 H LEU A 25 4.847 -5.842 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 25 6.443 -4.788 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.915 -3.572 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.269 -2.462 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 25 4.395 -4.278 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.494 -2.197 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.683 -2.564 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.931 -1.297 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.892 -2.822 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.326 -1.919 -7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.788 -3.630 -8.131 1.00 0.00 H new ATOM 412 N THR A 26 7.966 -3.712 -5.065 1.00 0.00 N ATOM 413 CA THR A 26 8.923 -3.283 -4.008 1.00 0.00 C ATOM 414 C THR A 26 8.395 -2.027 -3.311 1.00 0.00 C ATOM 415 O THR A 26 7.748 -1.195 -3.916 1.00 0.00 O ATOM 416 CB THR A 26 10.279 -2.978 -4.645 1.00 0.00 C ATOM 417 OG1 THR A 26 10.133 -1.917 -5.578 1.00 0.00 O ATOM 418 CG2 THR A 26 10.799 -4.224 -5.363 1.00 0.00 C ATOM 0 H THR A 26 8.323 -3.663 -6.019 1.00 0.00 H new ATOM 0 HA THR A 26 9.033 -4.082 -3.275 1.00 0.00 H new ATOM 0 HB THR A 26 10.988 -2.686 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.086 -2.284 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.766 -4.006 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.910 -5.037 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.092 -4.518 -6.139 1.00 0.00 H new ATOM 426 N LEU A 27 8.670 -1.882 -2.043 1.00 0.00 N ATOM 427 CA LEU A 27 8.190 -0.678 -1.308 1.00 0.00 C ATOM 428 C LEU A 27 8.735 0.580 -1.987 1.00 0.00 C ATOM 429 O LEU A 27 8.059 1.583 -2.095 1.00 0.00 O ATOM 430 CB LEU A 27 8.693 -0.733 0.135 1.00 0.00 C ATOM 431 CG LEU A 27 10.197 -1.012 0.137 1.00 0.00 C ATOM 432 CD1 LEU A 27 10.957 0.288 0.399 1.00 0.00 C ATOM 433 CD2 LEU A 27 10.525 -2.026 1.235 1.00 0.00 C ATOM 0 H LEU A 27 9.207 -2.546 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 27 7.100 -0.654 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.486 0.210 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.166 -1.512 0.686 1.00 0.00 H new ATOM 0 HG LEU A 27 10.493 -1.416 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.029 0.089 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.723 1.010 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.662 0.693 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.597 -2.226 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.229 -1.622 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.984 -2.953 1.047 1.00 0.00 H new ATOM 445 N ASN A 28 9.958 0.534 -2.443 1.00 0.00 N ATOM 446 CA ASN A 28 10.550 1.726 -3.112 1.00 0.00 C ATOM 447 C ASN A 28 9.643 2.172 -4.263 1.00 0.00 C ATOM 448 O ASN A 28 9.363 3.343 -4.425 1.00 0.00 O ATOM 449 CB ASN A 28 11.935 1.369 -3.662 1.00 0.00 C ATOM 450 CG ASN A 28 12.841 2.602 -3.610 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.366 3.720 -3.630 1.00 0.00 O ATOM 452 ND2 ASN A 28 14.136 2.444 -3.544 1.00 0.00 N ATOM 0 H ASN A 28 10.572 -0.278 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 28 10.644 2.537 -2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.372 0.559 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.849 1.011 -4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.748 3.259 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.535 1.505 -3.527 1.00 0.00 H new ATOM 459 N GLU A 29 9.182 1.249 -5.063 1.00 0.00 N ATOM 460 CA GLU A 29 8.296 1.625 -6.202 1.00 0.00 C ATOM 461 C GLU A 29 6.983 2.202 -5.665 1.00 0.00 C ATOM 462 O GLU A 29 6.496 3.208 -6.142 1.00 0.00 O ATOM 463 CB GLU A 29 7.997 0.386 -7.049 1.00 0.00 C ATOM 464 CG GLU A 29 9.276 -0.078 -7.750 1.00 0.00 C ATOM 465 CD GLU A 29 8.994 -1.362 -8.533 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.072 -2.425 -7.940 1.00 0.00 O ATOM 467 OE2 GLU A 29 8.703 -1.260 -9.714 1.00 0.00 O ATOM 0 H GLU A 29 9.380 0.252 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 29 8.797 2.374 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.606 -0.412 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.228 0.615 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.636 0.699 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.062 -0.253 -7.016 1.00 0.00 H new ATOM 474 N ILE A 30 6.403 1.573 -4.679 1.00 0.00 N ATOM 475 CA ILE A 30 5.118 2.087 -4.120 1.00 0.00 C ATOM 476 C ILE A 30 5.344 3.456 -3.472 1.00 0.00 C ATOM 477 O ILE A 30 4.627 4.402 -3.734 1.00 0.00 O ATOM 478 CB ILE A 30 4.591 1.103 -3.074 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.029 -0.132 -3.779 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.480 1.765 -2.256 1.00 0.00 C ATOM 481 CD1 ILE A 30 2.848 0.277 -4.663 1.00 0.00 C ATOM 0 H ILE A 30 6.762 0.727 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 30 4.389 2.190 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 30 5.405 0.811 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.804 -0.602 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.708 -0.869 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.107 1.061 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.875 2.648 -1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.666 2.058 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.448 -0.603 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.071 0.728 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.184 0.998 -5.408 1.00 0.00 H new ATOM 493 N TYR A 31 6.329 3.571 -2.624 1.00 0.00 N ATOM 494 CA TYR A 31 6.591 4.879 -1.959 1.00 0.00 C ATOM 495 C TYR A 31 6.804 5.957 -3.024 1.00 0.00 C ATOM 496 O TYR A 31 6.231 7.027 -2.964 1.00 0.00 O ATOM 497 CB TYR A 31 7.844 4.764 -1.085 1.00 0.00 C ATOM 498 CG TYR A 31 8.297 6.142 -0.666 1.00 0.00 C ATOM 499 CD1 TYR A 31 9.051 6.926 -1.546 1.00 0.00 C ATOM 500 CD2 TYR A 31 7.961 6.636 0.599 1.00 0.00 C ATOM 501 CE1 TYR A 31 9.470 8.204 -1.162 1.00 0.00 C ATOM 502 CE2 TYR A 31 8.380 7.916 0.985 1.00 0.00 C ATOM 503 CZ TYR A 31 9.135 8.699 0.104 1.00 0.00 C ATOM 504 OH TYR A 31 9.546 9.960 0.483 1.00 0.00 O ATOM 0 H TYR A 31 6.963 2.816 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 31 5.739 5.150 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.632 4.157 -0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.639 4.261 -1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.310 6.544 -2.523 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.379 6.031 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.052 8.809 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.121 8.298 1.961 1.00 0.00 H new ATOM 0 HH TYR A 31 9.228 10.149 1.391 1.00 0.00 H new ATOM 514 N ASN A 32 7.625 5.684 -3.998 1.00 0.00 N ATOM 515 CA ASN A 32 7.877 6.692 -5.067 1.00 0.00 C ATOM 516 C ASN A 32 6.548 7.102 -5.708 1.00 0.00 C ATOM 517 O ASN A 32 6.298 8.266 -5.953 1.00 0.00 O ATOM 518 CB ASN A 32 8.791 6.084 -6.133 1.00 0.00 C ATOM 519 CG ASN A 32 10.135 6.813 -6.133 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.909 6.685 -5.205 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.447 7.578 -7.142 1.00 0.00 N ATOM 0 H ASN A 32 8.134 4.806 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 32 8.356 7.570 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.942 5.023 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.324 6.162 -7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.341 8.069 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.797 7.685 -7.921 1.00 0.00 H new ATOM 528 N TRP A 33 5.699 6.151 -5.986 1.00 0.00 N ATOM 529 CA TRP A 33 4.388 6.471 -6.616 1.00 0.00 C ATOM 530 C TRP A 33 3.556 7.342 -5.670 1.00 0.00 C ATOM 531 O TRP A 33 2.883 8.260 -6.090 1.00 0.00 O ATOM 532 CB TRP A 33 3.646 5.162 -6.909 1.00 0.00 C ATOM 533 CG TRP A 33 2.209 5.441 -7.222 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.760 6.022 -8.358 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.031 5.153 -6.414 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.381 6.111 -8.298 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.116 5.589 -7.121 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.847 4.564 -5.152 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.399 5.444 -6.593 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.444 4.417 -4.616 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.564 4.855 -5.336 1.00 0.00 C ATOM 0 H TRP A 33 5.859 5.160 -5.802 1.00 0.00 H new ATOM 0 HA TRP A 33 4.549 7.018 -7.545 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.116 4.649 -7.748 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.716 4.496 -6.049 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.377 6.361 -9.177 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.198 6.514 -9.034 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.703 4.222 -4.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.259 5.784 -7.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.574 3.964 -3.644 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.554 4.738 -4.920 1.00 0.00 H new ATOM 552 N PHE A 34 3.598 7.061 -4.398 1.00 0.00 N ATOM 553 CA PHE A 34 2.807 7.871 -3.425 1.00 0.00 C ATOM 554 C PHE A 34 3.271 9.332 -3.456 1.00 0.00 C ATOM 555 O PHE A 34 2.482 10.246 -3.325 1.00 0.00 O ATOM 556 CB PHE A 34 3.020 7.309 -2.021 1.00 0.00 C ATOM 557 CG PHE A 34 1.904 6.349 -1.673 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.968 5.014 -2.095 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.811 6.790 -0.919 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.940 4.125 -1.760 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.216 5.902 -0.585 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.152 4.569 -1.004 1.00 0.00 C ATOM 0 H PHE A 34 4.146 6.305 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 34 1.752 7.825 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.981 6.797 -1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.051 8.122 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.810 4.671 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.761 7.819 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.989 3.096 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.059 6.245 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.944 3.883 -0.745 1.00 0.00 H new ATOM 572 N THR A 35 4.547 9.558 -3.607 1.00 0.00 N ATOM 573 CA THR A 35 5.063 10.959 -3.623 1.00 0.00 C ATOM 574 C THR A 35 4.742 11.646 -4.956 1.00 0.00 C ATOM 575 O THR A 35 4.288 12.772 -4.987 1.00 0.00 O ATOM 576 CB THR A 35 6.580 10.939 -3.415 1.00 0.00 C ATOM 577 OG1 THR A 35 6.876 10.348 -2.158 1.00 0.00 O ATOM 578 CG2 THR A 35 7.121 12.369 -3.450 1.00 0.00 C ATOM 0 H THR A 35 5.256 8.834 -3.720 1.00 0.00 H new ATOM 0 HA THR A 35 4.580 11.517 -2.821 1.00 0.00 H new ATOM 0 HB THR A 35 7.048 10.357 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.683 9.797 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.201 12.353 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.894 12.820 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.655 12.954 -2.657 1.00 0.00 H new ATOM 586 N ARG A 36 4.995 10.991 -6.056 1.00 0.00 N ATOM 587 CA ARG A 36 4.728 11.624 -7.382 1.00 0.00 C ATOM 588 C ARG A 36 3.220 11.764 -7.618 1.00 0.00 C ATOM 589 O ARG A 36 2.763 12.730 -8.195 1.00 0.00 O ATOM 590 CB ARG A 36 5.335 10.761 -8.488 1.00 0.00 C ATOM 591 CG ARG A 36 5.041 9.285 -8.213 1.00 0.00 C ATOM 592 CD ARG A 36 4.366 8.665 -9.438 1.00 0.00 C ATOM 593 NE ARG A 36 5.248 8.833 -10.626 1.00 0.00 N ATOM 594 CZ ARG A 36 4.863 8.394 -11.792 1.00 0.00 C ATOM 595 NH1 ARG A 36 4.314 7.214 -11.896 1.00 0.00 N ATOM 596 NH2 ARG A 36 5.024 9.135 -12.853 1.00 0.00 N ATOM 0 H ARG A 36 5.375 10.045 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 36 5.179 12.616 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.923 11.050 -9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.412 10.924 -8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.966 8.755 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.396 9.188 -7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.171 7.607 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.402 9.142 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 36 6.154 9.292 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.186 6.636 -11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.013 6.870 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.451 10.058 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.723 8.792 -13.765 1.00 0.00 H new ATOM 610 N MET A 37 2.447 10.805 -7.192 1.00 0.00 N ATOM 611 CA MET A 37 0.976 10.887 -7.414 1.00 0.00 C ATOM 612 C MET A 37 0.344 11.855 -6.409 1.00 0.00 C ATOM 613 O MET A 37 -0.431 12.717 -6.775 1.00 0.00 O ATOM 614 CB MET A 37 0.358 9.498 -7.240 1.00 0.00 C ATOM 615 CG MET A 37 -0.483 9.157 -8.471 1.00 0.00 C ATOM 616 SD MET A 37 -1.904 8.154 -7.970 1.00 0.00 S ATOM 617 CE MET A 37 -2.731 8.108 -9.579 1.00 0.00 C ATOM 0 H MET A 37 2.768 9.970 -6.701 1.00 0.00 H new ATOM 0 HA MET A 37 0.788 11.251 -8.424 1.00 0.00 H new ATOM 0 HB2 MET A 37 1.142 8.753 -7.105 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.263 9.474 -6.344 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.823 10.071 -8.957 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.121 8.614 -9.198 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.650 7.528 -9.499 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.969 9.124 -9.895 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.072 7.644 -10.313 1.00 0.00 H new ATOM 627 N PHE A 38 0.654 11.721 -5.149 1.00 0.00 N ATOM 628 CA PHE A 38 0.048 12.640 -4.141 1.00 0.00 C ATOM 629 C PHE A 38 1.130 13.508 -3.501 1.00 0.00 C ATOM 630 O PHE A 38 1.767 13.097 -2.552 1.00 0.00 O ATOM 631 CB PHE A 38 -0.643 11.834 -3.039 1.00 0.00 C ATOM 632 CG PHE A 38 -1.074 10.492 -3.578 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.018 10.432 -4.605 1.00 0.00 C ATOM 634 CD2 PHE A 38 -0.532 9.312 -3.053 1.00 0.00 C ATOM 635 CE1 PHE A 38 -2.426 9.194 -5.111 1.00 0.00 C ATOM 636 CE2 PHE A 38 -0.940 8.071 -3.559 1.00 0.00 C ATOM 637 CZ PHE A 38 -1.888 8.013 -4.589 1.00 0.00 C ATOM 0 H PHE A 38 1.295 11.022 -4.775 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.680 13.271 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.035 11.697 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.509 12.381 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.434 11.343 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.199 9.359 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.157 9.150 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.524 7.160 -3.155 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.203 7.057 -4.980 1.00 0.00 H new ATOM 647 N PRO A 39 1.288 14.695 -4.022 1.00 0.00 N ATOM 648 CA PRO A 39 2.268 15.658 -3.500 1.00 0.00 C ATOM 649 C PRO A 39 1.700 16.345 -2.252 1.00 0.00 C ATOM 650 O PRO A 39 2.270 17.283 -1.731 1.00 0.00 O ATOM 651 CB PRO A 39 2.431 16.660 -4.646 1.00 0.00 C ATOM 652 CG PRO A 39 1.146 16.553 -5.504 1.00 0.00 C ATOM 653 CD PRO A 39 0.514 15.186 -5.180 1.00 0.00 C ATOM 0 HA PRO A 39 3.214 15.203 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.559 17.672 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.315 16.430 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.456 17.364 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.381 16.629 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.545 15.284 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.587 14.503 -6.026 1.00 0.00 H new ATOM 661 N TYR A 40 0.567 15.890 -1.780 1.00 0.00 N ATOM 662 CA TYR A 40 -0.055 16.515 -0.582 1.00 0.00 C ATOM 663 C TYR A 40 0.302 15.718 0.676 1.00 0.00 C ATOM 664 O TYR A 40 0.687 16.275 1.684 1.00 0.00 O ATOM 665 CB TYR A 40 -1.577 16.537 -0.766 1.00 0.00 C ATOM 666 CG TYR A 40 -2.254 16.827 0.555 1.00 0.00 C ATOM 667 CD1 TYR A 40 -2.366 15.819 1.520 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.772 18.103 0.811 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.993 16.086 2.742 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.401 18.369 2.033 1.00 0.00 C ATOM 671 CZ TYR A 40 -3.512 17.361 2.998 1.00 0.00 C ATOM 672 OH TYR A 40 -4.132 17.624 4.202 1.00 0.00 O ATOM 0 H TYR A 40 0.046 15.108 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 40 0.320 17.532 -0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.852 17.295 -1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.918 15.578 -1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.968 14.835 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.686 18.881 0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.077 15.309 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.801 19.352 2.231 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.434 18.556 4.218 1.00 0.00 H new ATOM 682 N PHE A 41 0.168 14.421 0.633 1.00 0.00 N ATOM 683 CA PHE A 41 0.490 13.604 1.836 1.00 0.00 C ATOM 684 C PHE A 41 2.004 13.342 1.901 1.00 0.00 C ATOM 685 O PHE A 41 2.465 12.509 2.653 1.00 0.00 O ATOM 686 CB PHE A 41 -0.313 12.286 1.779 1.00 0.00 C ATOM 687 CG PHE A 41 0.575 11.116 1.415 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.112 11.012 0.128 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.856 10.135 2.372 1.00 0.00 C ATOM 690 CE1 PHE A 41 1.931 9.929 -0.204 1.00 0.00 C ATOM 691 CE2 PHE A 41 1.676 9.052 2.042 1.00 0.00 C ATOM 692 CZ PHE A 41 2.215 8.949 0.756 1.00 0.00 C ATOM 0 H PHE A 41 -0.149 13.893 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 41 0.209 14.141 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.783 12.102 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.115 12.378 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.894 11.769 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.440 10.214 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.344 9.848 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.893 8.295 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.851 8.113 0.503 1.00 0.00 H new ATOM 702 N ARG A 42 2.776 14.047 1.120 1.00 0.00 N ATOM 703 CA ARG A 42 4.251 13.836 1.146 1.00 0.00 C ATOM 704 C ARG A 42 4.892 14.826 2.120 1.00 0.00 C ATOM 705 O ARG A 42 5.991 15.298 1.905 1.00 0.00 O ATOM 706 CB ARG A 42 4.823 14.061 -0.257 1.00 0.00 C ATOM 707 CG ARG A 42 6.291 13.633 -0.286 1.00 0.00 C ATOM 708 CD ARG A 42 7.162 14.823 -0.694 1.00 0.00 C ATOM 709 NE ARG A 42 6.850 15.207 -2.099 1.00 0.00 N ATOM 710 CZ ARG A 42 7.771 15.745 -2.850 1.00 0.00 C ATOM 711 NH1 ARG A 42 8.644 16.564 -2.327 1.00 0.00 N ATOM 712 NH2 ARG A 42 7.820 15.466 -4.124 1.00 0.00 N ATOM 0 H ARG A 42 2.450 14.759 0.466 1.00 0.00 H new ATOM 0 HA ARG A 42 4.466 12.817 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.252 13.490 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.734 15.112 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.593 13.267 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.427 12.811 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.981 15.666 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.217 14.564 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 42 5.915 15.049 -2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.605 16.783 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.364 16.985 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.138 14.827 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.540 15.887 -4.711 1.00 0.00 H new ATOM 726 N ARG A 43 4.216 15.149 3.190 1.00 0.00 N ATOM 727 CA ARG A 43 4.796 16.112 4.170 1.00 0.00 C ATOM 728 C ARG A 43 4.920 15.439 5.540 1.00 0.00 C ATOM 729 O ARG A 43 5.889 14.761 5.820 1.00 0.00 O ATOM 730 CB ARG A 43 3.891 17.343 4.278 1.00 0.00 C ATOM 731 CG ARG A 43 2.432 16.930 4.077 1.00 0.00 C ATOM 732 CD ARG A 43 1.527 17.846 4.902 1.00 0.00 C ATOM 733 NE ARG A 43 0.210 17.991 4.222 1.00 0.00 N ATOM 734 CZ ARG A 43 -0.890 17.747 4.878 1.00 0.00 C ATOM 735 NH1 ARG A 43 -1.285 16.515 5.055 1.00 0.00 N ATOM 736 NH2 ARG A 43 -1.594 18.735 5.360 1.00 0.00 N ATOM 0 H ARG A 43 3.291 14.789 3.427 1.00 0.00 H new ATOM 0 HA ARG A 43 5.785 16.422 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.015 17.813 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.176 18.083 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.167 16.993 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.291 15.892 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.388 17.433 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.995 18.823 5.023 1.00 0.00 H new ATOM 0 HE ARG A 43 0.169 18.281 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.733 15.744 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.146 16.324 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.283 19.697 5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.455 18.545 5.873 1.00 0.00 H new ATOM 750 N ASN A 44 3.952 15.619 6.398 1.00 0.00 N ATOM 751 CA ASN A 44 4.025 14.987 7.745 1.00 0.00 C ATOM 752 C ASN A 44 4.111 13.467 7.588 1.00 0.00 C ATOM 753 O ASN A 44 3.110 12.783 7.517 1.00 0.00 O ATOM 754 CB ASN A 44 2.776 15.349 8.548 1.00 0.00 C ATOM 755 CG ASN A 44 2.937 16.753 9.137 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.172 17.645 8.828 1.00 0.00 O ATOM 757 ND2 ASN A 44 3.907 16.989 9.978 1.00 0.00 N ATOM 0 H ASN A 44 3.115 16.176 6.224 1.00 0.00 H new ATOM 0 HA ASN A 44 4.909 15.349 8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.895 15.311 7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.621 14.624 9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.022 17.921 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.550 16.241 10.238 1.00 0.00 H new ATOM 764 N ALA A 45 5.302 12.934 7.534 1.00 0.00 N ATOM 765 CA ALA A 45 5.453 11.460 7.382 1.00 0.00 C ATOM 766 C ALA A 45 5.290 10.784 8.741 1.00 0.00 C ATOM 767 O ALA A 45 5.513 9.599 8.886 1.00 0.00 O ATOM 768 CB ALA A 45 6.840 11.143 6.815 1.00 0.00 C ATOM 0 H ALA A 45 6.176 13.456 7.589 1.00 0.00 H new ATOM 0 HA ALA A 45 4.689 11.088 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.950 10.064 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.953 11.621 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.605 11.518 7.495 1.00 0.00 H new ATOM 774 N ALA A 46 4.895 11.520 9.737 1.00 0.00 N ATOM 775 CA ALA A 46 4.713 10.908 11.077 1.00 0.00 C ATOM 776 C ALA A 46 3.353 10.210 11.130 1.00 0.00 C ATOM 777 O ALA A 46 3.209 9.151 11.707 1.00 0.00 O ATOM 778 CB ALA A 46 4.771 11.999 12.147 1.00 0.00 C ATOM 0 H ALA A 46 4.691 12.518 9.681 1.00 0.00 H new ATOM 0 HA ALA A 46 5.504 10.181 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.637 11.551 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.738 12.499 12.104 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.978 12.726 11.969 1.00 0.00 H new ATOM 784 N THR A 47 2.345 10.807 10.550 1.00 0.00 N ATOM 785 CA THR A 47 0.989 10.187 10.592 1.00 0.00 C ATOM 786 C THR A 47 0.773 9.190 9.438 1.00 0.00 C ATOM 787 O THR A 47 0.208 8.132 9.636 1.00 0.00 O ATOM 788 CB THR A 47 -0.063 11.291 10.491 1.00 0.00 C ATOM 789 OG1 THR A 47 0.205 12.290 11.465 1.00 0.00 O ATOM 790 CG2 THR A 47 -1.452 10.699 10.729 1.00 0.00 C ATOM 0 H THR A 47 2.402 11.695 10.051 1.00 0.00 H new ATOM 0 HA THR A 47 0.899 9.641 11.531 1.00 0.00 H new ATOM 0 HB THR A 47 -0.028 11.736 9.497 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.468 12.999 11.400 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.201 11.488 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.656 9.935 9.978 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.491 10.251 11.722 1.00 0.00 H new ATOM 798 N TRP A 48 1.160 9.520 8.230 1.00 0.00 N ATOM 799 CA TRP A 48 0.899 8.573 7.096 1.00 0.00 C ATOM 800 C TRP A 48 1.985 7.493 6.972 1.00 0.00 C ATOM 801 O TRP A 48 1.817 6.530 6.249 1.00 0.00 O ATOM 802 CB TRP A 48 0.765 9.346 5.773 1.00 0.00 C ATOM 803 CG TRP A 48 2.038 10.033 5.386 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.281 11.356 5.535 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.224 9.469 4.749 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.538 11.640 5.035 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.163 10.509 4.546 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.576 8.171 4.339 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.405 10.270 3.958 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.826 7.927 3.745 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.738 8.975 3.556 1.00 0.00 C ATOM 0 H TRP A 48 1.637 10.387 7.980 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.039 8.063 7.315 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.471 8.658 4.981 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.031 10.085 5.865 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.603 12.073 5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.954 12.571 5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.881 7.356 4.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.104 11.081 3.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 5.086 6.926 3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.697 8.781 3.100 1.00 0.00 H new ATOM 822 N LYS A 49 3.076 7.613 7.670 1.00 0.00 N ATOM 823 CA LYS A 49 4.126 6.563 7.573 1.00 0.00 C ATOM 824 C LYS A 49 3.872 5.511 8.651 1.00 0.00 C ATOM 825 O LYS A 49 3.983 4.325 8.416 1.00 0.00 O ATOM 826 CB LYS A 49 5.507 7.187 7.774 1.00 0.00 C ATOM 827 CG LYS A 49 6.558 6.331 7.065 1.00 0.00 C ATOM 828 CD LYS A 49 7.387 5.572 8.102 1.00 0.00 C ATOM 829 CE LYS A 49 8.439 6.507 8.698 1.00 0.00 C ATOM 830 NZ LYS A 49 9.440 5.706 9.457 1.00 0.00 N ATOM 0 H LYS A 49 3.287 8.387 8.300 1.00 0.00 H new ATOM 0 HA LYS A 49 4.092 6.099 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.521 8.202 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.736 7.257 8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.073 5.628 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.207 6.963 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.739 5.187 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.870 4.712 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.932 7.069 7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.964 7.234 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.157 6.341 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.962 5.188 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.901 5.029 8.816 1.00 0.00 H new ATOM 844 N ASN A 50 3.517 5.938 9.833 1.00 0.00 N ATOM 845 CA ASN A 50 3.239 4.963 10.922 1.00 0.00 C ATOM 846 C ASN A 50 1.929 4.237 10.613 1.00 0.00 C ATOM 847 O ASN A 50 1.739 3.094 10.975 1.00 0.00 O ATOM 848 CB ASN A 50 3.113 5.704 12.255 1.00 0.00 C ATOM 849 CG ASN A 50 4.509 5.980 12.819 1.00 0.00 C ATOM 850 OD1 ASN A 50 5.463 6.104 12.078 1.00 0.00 O ATOM 851 ND2 ASN A 50 4.668 6.080 14.111 1.00 0.00 N ATOM 0 H ASN A 50 3.408 6.919 10.090 1.00 0.00 H new ATOM 0 HA ASN A 50 4.054 4.243 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.575 6.641 12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.535 5.108 12.961 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.594 6.262 14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.866 5.976 14.733 1.00 0.00 H new ATOM 858 N ALA A 51 1.024 4.897 9.940 1.00 0.00 N ATOM 859 CA ALA A 51 -0.274 4.248 9.602 1.00 0.00 C ATOM 860 C ALA A 51 -0.041 3.151 8.559 1.00 0.00 C ATOM 861 O ALA A 51 -0.381 2.003 8.767 1.00 0.00 O ATOM 862 CB ALA A 51 -1.236 5.295 9.036 1.00 0.00 C ATOM 0 H ALA A 51 1.128 5.857 9.610 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.705 3.808 10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.186 4.821 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.403 6.075 9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.806 5.736 8.137 1.00 0.00 H new ATOM 868 N VAL A 52 0.534 3.492 7.437 1.00 0.00 N ATOM 869 CA VAL A 52 0.782 2.461 6.389 1.00 0.00 C ATOM 870 C VAL A 52 1.665 1.351 6.963 1.00 0.00 C ATOM 871 O VAL A 52 1.393 0.178 6.796 1.00 0.00 O ATOM 872 CB VAL A 52 1.481 3.108 5.190 1.00 0.00 C ATOM 873 CG1 VAL A 52 1.943 2.022 4.216 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.503 4.046 4.480 1.00 0.00 C ATOM 0 H VAL A 52 0.841 4.436 7.202 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.168 2.035 6.066 1.00 0.00 H new ATOM 0 HB VAL A 52 2.346 3.674 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.440 2.485 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.638 1.352 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.080 1.454 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.998 4.508 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.361 3.478 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.175 4.821 5.172 1.00 0.00 H new ATOM 884 N ARG A 53 2.721 1.710 7.640 1.00 0.00 N ATOM 885 CA ARG A 53 3.621 0.675 8.225 1.00 0.00 C ATOM 886 C ARG A 53 2.804 -0.274 9.106 1.00 0.00 C ATOM 887 O ARG A 53 2.901 -1.480 8.990 1.00 0.00 O ATOM 888 CB ARG A 53 4.697 1.356 9.076 1.00 0.00 C ATOM 889 CG ARG A 53 5.895 1.717 8.195 1.00 0.00 C ATOM 890 CD ARG A 53 7.178 1.175 8.831 1.00 0.00 C ATOM 891 NE ARG A 53 7.725 2.179 9.787 1.00 0.00 N ATOM 892 CZ ARG A 53 7.386 2.137 11.048 1.00 0.00 C ATOM 893 NH1 ARG A 53 6.279 2.703 11.444 1.00 0.00 N ATOM 894 NH2 ARG A 53 8.151 1.527 11.912 1.00 0.00 N ATOM 0 H ARG A 53 3.000 2.676 7.814 1.00 0.00 H new ATOM 0 HA ARG A 53 4.094 0.110 7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.292 2.254 9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.012 0.693 9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.766 1.298 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.962 2.799 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.971 0.239 9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.914 0.955 8.058 1.00 0.00 H new ATOM 0 HE ARG A 53 8.365 2.901 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.679 3.178 10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.013 2.671 12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.015 1.082 11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.885 1.495 12.896 1.00 0.00 H new ATOM 908 N HIS A 54 2.002 0.258 9.988 1.00 0.00 N ATOM 909 CA HIS A 54 1.183 -0.615 10.877 1.00 0.00 C ATOM 910 C HIS A 54 0.189 -1.416 10.033 1.00 0.00 C ATOM 911 O HIS A 54 0.116 -2.625 10.124 1.00 0.00 O ATOM 912 CB HIS A 54 0.416 0.254 11.878 1.00 0.00 C ATOM 913 CG HIS A 54 -0.610 -0.584 12.591 1.00 0.00 C ATOM 914 ND1 HIS A 54 -0.278 -1.421 13.645 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.964 -0.723 12.415 1.00 0.00 C ATOM 916 CE1 HIS A 54 -1.409 -2.020 14.060 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.467 -1.631 13.343 1.00 0.00 N ATOM 0 H HIS A 54 1.878 1.260 10.131 1.00 0.00 H new ATOM 0 HA HIS A 54 1.838 -1.301 11.415 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.107 0.692 12.598 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.071 1.080 11.360 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.550 -0.206 11.670 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.456 -2.729 14.874 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.435 -1.934 13.452 1.00 0.00 H new ATOM 925 N ASN A 55 -0.578 -0.750 9.217 1.00 0.00 N ATOM 926 CA ASN A 55 -1.570 -1.471 8.372 1.00 0.00 C ATOM 927 C ASN A 55 -0.866 -2.570 7.569 1.00 0.00 C ATOM 928 O ASN A 55 -1.359 -3.672 7.442 1.00 0.00 O ATOM 929 CB ASN A 55 -2.232 -0.482 7.411 1.00 0.00 C ATOM 930 CG ASN A 55 -3.734 -0.417 7.697 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.218 -1.057 8.609 1.00 0.00 O ATOM 932 ND2 ASN A 55 -4.495 0.335 6.952 1.00 0.00 N ATOM 0 H ASN A 55 -0.561 0.263 9.098 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.328 -1.923 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.786 0.506 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.061 -0.791 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.497 0.386 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.088 0.872 6.186 1.00 0.00 H new ATOM 939 N LEU A 56 0.282 -2.276 7.021 1.00 0.00 N ATOM 940 CA LEU A 56 1.010 -3.301 6.220 1.00 0.00 C ATOM 941 C LEU A 56 1.260 -4.555 7.067 1.00 0.00 C ATOM 942 O LEU A 56 0.948 -5.658 6.665 1.00 0.00 O ATOM 943 CB LEU A 56 2.351 -2.726 5.759 1.00 0.00 C ATOM 944 CG LEU A 56 2.555 -3.029 4.274 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.437 -4.536 4.038 1.00 0.00 C ATOM 946 CD2 LEU A 56 1.486 -2.301 3.454 1.00 0.00 C ATOM 0 H LEU A 56 0.747 -1.371 7.093 1.00 0.00 H new ATOM 0 HA LEU A 56 0.405 -3.571 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.374 -1.649 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.164 -3.157 6.344 1.00 0.00 H new ATOM 0 HG LEU A 56 3.545 -2.690 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.583 -4.751 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.196 -5.056 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.448 -4.876 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.630 -2.516 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.497 -2.641 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.569 -1.227 3.620 1.00 0.00 H new ATOM 958 N SER A 57 1.829 -4.397 8.230 1.00 0.00 N ATOM 959 CA SER A 57 2.108 -5.581 9.091 1.00 0.00 C ATOM 960 C SER A 57 0.798 -6.278 9.473 1.00 0.00 C ATOM 961 O SER A 57 0.684 -7.485 9.399 1.00 0.00 O ATOM 962 CB SER A 57 2.830 -5.128 10.360 1.00 0.00 C ATOM 963 OG SER A 57 2.935 -6.225 11.258 1.00 0.00 O ATOM 0 H SER A 57 2.113 -3.499 8.622 1.00 0.00 H new ATOM 0 HA SER A 57 2.735 -6.281 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.822 -4.750 10.112 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.285 -4.309 10.830 1.00 0.00 H new ATOM 0 HG SER A 57 3.399 -5.938 12.072 1.00 0.00 H new ATOM 969 N LEU A 58 -0.187 -5.531 9.890 1.00 0.00 N ATOM 970 CA LEU A 58 -1.479 -6.161 10.286 1.00 0.00 C ATOM 971 C LEU A 58 -2.236 -6.633 9.041 1.00 0.00 C ATOM 972 O LEU A 58 -3.053 -7.530 9.106 1.00 0.00 O ATOM 973 CB LEU A 58 -2.332 -5.142 11.042 1.00 0.00 C ATOM 974 CG LEU A 58 -3.639 -5.803 11.481 1.00 0.00 C ATOM 975 CD1 LEU A 58 -3.366 -6.750 12.650 1.00 0.00 C ATOM 976 CD2 LEU A 58 -4.633 -4.726 11.920 1.00 0.00 C ATOM 0 H LEU A 58 -0.154 -4.515 9.974 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.275 -7.018 10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.789 -4.770 11.911 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.542 -4.283 10.405 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.057 -6.367 10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.298 -7.221 12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.658 -7.518 12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.947 -6.187 13.484 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.565 -5.197 12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.214 -4.162 12.753 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.829 -4.051 11.087 1.00 0.00 H new ATOM 988 N HIS A 59 -1.977 -6.040 7.908 1.00 0.00 N ATOM 989 CA HIS A 59 -2.691 -6.464 6.670 1.00 0.00 C ATOM 990 C HIS A 59 -2.283 -7.895 6.314 1.00 0.00 C ATOM 991 O HIS A 59 -1.175 -8.147 5.886 1.00 0.00 O ATOM 992 CB HIS A 59 -2.323 -5.528 5.516 1.00 0.00 C ATOM 993 CG HIS A 59 -3.101 -4.245 5.640 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.373 -4.200 6.190 1.00 0.00 N ATOM 995 CD2 HIS A 59 -2.795 -2.952 5.293 1.00 0.00 C ATOM 996 CE1 HIS A 59 -4.782 -2.918 6.157 1.00 0.00 C ATOM 997 NE2 HIS A 59 -3.859 -2.117 5.620 1.00 0.00 N ATOM 0 H HIS A 59 -1.304 -5.283 7.786 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.767 -6.421 6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.253 -5.319 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.542 -6.007 4.562 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -4.902 -4.993 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.870 -2.632 4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.741 -2.579 6.521 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.171 -8.834 6.490 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.835 -10.248 6.165 1.00 0.00 C ATOM 1007 C LYS A 60 -2.885 -10.451 4.650 1.00 0.00 C ATOM 1008 O LYS A 60 -2.236 -11.326 4.111 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.844 -11.179 6.840 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.731 -11.034 8.359 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.609 -12.419 8.997 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.036 -12.280 10.409 1.00 0.00 C ATOM 1013 NZ LYS A 60 -4.054 -12.722 11.402 1.00 0.00 N ATOM 0 H LYS A 60 -4.115 -8.683 6.845 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.832 -10.475 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.855 -10.935 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.655 -12.212 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.862 -10.427 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.607 -10.517 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.586 -12.901 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.963 -13.055 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.132 -12.881 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.753 -11.245 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.666 -12.628 12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.905 -12.131 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.303 -13.716 11.225 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.647 -9.651 3.956 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.728 -9.807 2.477 1.00 0.00 C ATOM 1029 C TYR A 61 -2.430 -9.301 1.843 1.00 0.00 C ATOM 1030 O TYR A 61 -2.122 -9.606 0.709 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.919 -9.010 1.938 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.772 -7.554 2.306 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.928 -6.728 1.559 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.485 -7.030 3.392 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.794 -5.377 1.895 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.352 -5.678 3.728 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.507 -4.851 2.979 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.375 -3.519 3.311 1.00 0.00 O ATOM 0 H TYR A 61 -4.215 -8.899 4.347 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.865 -10.859 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.978 -9.116 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.848 -9.406 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.379 -7.133 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.137 -7.669 3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.140 -4.739 1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.901 -5.273 4.565 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.588 -3.146 2.862 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.655 -8.543 2.575 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.368 -8.036 2.020 1.00 0.00 C ATOM 1050 C PHE A 62 0.708 -9.107 2.222 1.00 0.00 C ATOM 1051 O PHE A 62 0.991 -9.503 3.335 1.00 0.00 O ATOM 1052 CB PHE A 62 0.048 -6.760 2.761 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.456 -5.540 2.026 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.380 -5.477 0.629 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -0.997 -4.466 2.746 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.846 -4.342 -0.047 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.462 -3.331 2.069 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.386 -3.270 0.672 1.00 0.00 C ATOM 0 H PHE A 62 -1.859 -8.254 3.532 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.487 -7.814 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.352 -6.773 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.134 -6.719 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.038 -6.303 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.055 -4.513 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.788 -4.294 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.879 -2.504 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.744 -2.395 0.149 1.00 0.00 H new ATOM 1068 N VAL A 63 1.308 -9.586 1.166 1.00 0.00 N ATOM 1069 CA VAL A 63 2.356 -10.636 1.330 1.00 0.00 C ATOM 1070 C VAL A 63 3.701 -10.103 0.832 1.00 0.00 C ATOM 1071 O VAL A 63 3.777 -9.407 -0.160 1.00 0.00 O ATOM 1072 CB VAL A 63 1.965 -11.880 0.530 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.068 -12.934 0.647 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.658 -12.451 1.087 1.00 0.00 C ATOM 0 H VAL A 63 1.121 -9.300 0.205 1.00 0.00 H new ATOM 0 HA VAL A 63 2.443 -10.899 2.384 1.00 0.00 H new ATOM 0 HB VAL A 63 1.831 -11.610 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.787 -13.819 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.001 -12.530 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.203 -13.205 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.377 -13.338 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.796 -12.720 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.130 -11.703 1.005 1.00 0.00 H new ATOM 1084 N ARG A 64 4.765 -10.426 1.517 1.00 0.00 N ATOM 1085 CA ARG A 64 6.106 -9.940 1.085 1.00 0.00 C ATOM 1086 C ARG A 64 6.974 -11.130 0.676 1.00 0.00 C ATOM 1087 O ARG A 64 7.290 -11.987 1.478 1.00 0.00 O ATOM 1088 CB ARG A 64 6.777 -9.193 2.240 1.00 0.00 C ATOM 1089 CG ARG A 64 8.103 -8.598 1.760 1.00 0.00 C ATOM 1090 CD ARG A 64 9.199 -8.889 2.786 1.00 0.00 C ATOM 1091 NE ARG A 64 8.680 -8.620 4.157 1.00 0.00 N ATOM 1092 CZ ARG A 64 9.496 -8.225 5.096 1.00 0.00 C ATOM 1093 NH1 ARG A 64 10.781 -8.408 4.962 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.028 -7.646 6.168 1.00 0.00 N ATOM 0 H ARG A 64 4.763 -11.005 2.357 1.00 0.00 H new ATOM 0 HA ARG A 64 5.990 -9.266 0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.122 -8.402 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.952 -9.873 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.374 -9.022 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.000 -7.522 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.522 -9.927 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.072 -8.267 2.588 1.00 0.00 H new ATOM 0 HE ARG A 64 7.688 -8.744 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.147 -8.859 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.419 -8.100 5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.024 -7.502 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.667 -7.338 6.901 1.00 0.00 H new ATOM 1108 N VAL A 65 7.361 -11.192 -0.568 1.00 0.00 N ATOM 1109 CA VAL A 65 8.203 -12.322 -1.032 1.00 0.00 C ATOM 1110 C VAL A 65 9.682 -11.939 -0.929 1.00 0.00 C ATOM 1111 O VAL A 65 10.215 -11.250 -1.776 1.00 0.00 O ATOM 1112 CB VAL A 65 7.861 -12.645 -2.487 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.397 -14.033 -2.843 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.342 -12.624 -2.668 1.00 0.00 C ATOM 0 H VAL A 65 7.127 -10.504 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 65 8.012 -13.195 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 65 8.317 -11.902 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.153 -14.262 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.479 -14.050 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.942 -14.777 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.096 -12.854 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.887 -13.368 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.959 -11.635 -2.415 1.00 0.00 H new ATOM 1124 N GLU A 66 10.348 -12.382 0.102 1.00 0.00 N ATOM 1125 CA GLU A 66 11.788 -12.046 0.258 1.00 0.00 C ATOM 1126 C GLU A 66 12.620 -12.926 -0.678 1.00 0.00 C ATOM 1127 O GLU A 66 12.763 -14.112 -0.466 1.00 0.00 O ATOM 1128 CB GLU A 66 12.218 -12.293 1.706 1.00 0.00 C ATOM 1129 CG GLU A 66 13.731 -12.101 1.827 1.00 0.00 C ATOM 1130 CD GLU A 66 14.088 -11.732 3.268 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.235 -11.882 4.127 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.209 -11.305 3.489 1.00 0.00 O ATOM 0 H GLU A 66 9.955 -12.963 0.843 1.00 0.00 H new ATOM 0 HA GLU A 66 11.945 -10.997 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.699 -11.605 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.943 -13.303 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.248 -13.015 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.064 -11.317 1.147 1.00 0.00 H new ATOM 1139 N ASN A 67 13.168 -12.354 -1.715 1.00 0.00 N ATOM 1140 CA ASN A 67 13.982 -13.157 -2.658 1.00 0.00 C ATOM 1141 C ASN A 67 15.368 -12.527 -2.813 1.00 0.00 C ATOM 1142 O ASN A 67 15.539 -11.334 -2.661 1.00 0.00 O ATOM 1143 CB ASN A 67 13.288 -13.206 -4.021 1.00 0.00 C ATOM 1144 CG ASN A 67 12.743 -14.613 -4.268 1.00 0.00 C ATOM 1145 OD1 ASN A 67 13.448 -15.588 -4.102 1.00 0.00 O ATOM 1146 ND2 ASN A 67 11.508 -14.762 -4.663 1.00 0.00 N ATOM 0 H ASN A 67 13.085 -11.364 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 67 14.089 -14.169 -2.267 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.476 -12.480 -4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.991 -12.934 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.136 -15.697 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.915 -13.944 -4.803 1.00 0.00 H new ATOM 1153 N VAL A 68 16.357 -13.323 -3.114 1.00 0.00 N ATOM 1154 CA VAL A 68 17.732 -12.777 -3.281 1.00 0.00 C ATOM 1155 C VAL A 68 17.688 -11.551 -4.198 1.00 0.00 C ATOM 1156 O VAL A 68 18.521 -10.671 -4.112 1.00 0.00 O ATOM 1157 CB VAL A 68 18.629 -13.848 -3.906 1.00 0.00 C ATOM 1158 CG1 VAL A 68 20.007 -13.255 -4.202 1.00 0.00 C ATOM 1159 CG2 VAL A 68 18.779 -15.020 -2.934 1.00 0.00 C ATOM 0 H VAL A 68 16.271 -14.330 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 68 18.130 -12.488 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 68 18.178 -14.199 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 68 20.644 -14.019 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.903 -12.421 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 68 20.458 -12.902 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.418 -15.783 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 68 19.228 -14.667 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.798 -15.446 -2.724 1.00 0.00 H new ATOM 1169 N LYS A 69 16.726 -11.492 -5.077 1.00 0.00 N ATOM 1170 CA LYS A 69 16.631 -10.331 -6.002 1.00 0.00 C ATOM 1171 C LYS A 69 16.061 -9.119 -5.261 1.00 0.00 C ATOM 1172 O LYS A 69 16.136 -8.002 -5.734 1.00 0.00 O ATOM 1173 CB LYS A 69 15.714 -10.689 -7.175 1.00 0.00 C ATOM 1174 CG LYS A 69 15.966 -9.718 -8.332 1.00 0.00 C ATOM 1175 CD LYS A 69 15.448 -10.331 -9.634 1.00 0.00 C ATOM 1176 CE LYS A 69 16.631 -10.825 -10.470 1.00 0.00 C ATOM 1177 NZ LYS A 69 16.297 -12.149 -11.068 1.00 0.00 N ATOM 0 H LYS A 69 16.001 -12.200 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 69 17.626 -10.087 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.901 -11.713 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.671 -10.638 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.465 -8.769 -8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.032 -9.505 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.772 -11.158 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.876 -9.592 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.860 -10.106 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.521 -10.910 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.100 -12.486 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.099 -12.832 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.459 -12.054 -11.676 1.00 0.00 H new ATOM 1191 N GLY A 70 15.491 -9.325 -4.106 1.00 0.00 N ATOM 1192 CA GLY A 70 14.919 -8.186 -3.343 1.00 0.00 C ATOM 1193 C GLY A 70 13.506 -8.539 -2.874 1.00 0.00 C ATOM 1194 O GLY A 70 12.815 -9.324 -3.492 1.00 0.00 O ATOM 0 H GLY A 70 15.398 -10.237 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.551 -7.956 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.893 -7.293 -3.968 1.00 0.00 H new ATOM 1198 N ALA A 71 13.073 -7.966 -1.784 1.00 0.00 N ATOM 1199 CA ALA A 71 11.710 -8.269 -1.273 1.00 0.00 C ATOM 1200 C ALA A 71 10.673 -7.477 -2.071 1.00 0.00 C ATOM 1201 O ALA A 71 10.927 -6.376 -2.519 1.00 0.00 O ATOM 1202 CB ALA A 71 11.624 -7.881 0.205 1.00 0.00 C ATOM 0 H ALA A 71 13.607 -7.300 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 71 11.510 -9.335 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.625 -8.102 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.360 -8.449 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.825 -6.815 0.314 1.00 0.00 H new ATOM 1208 N VAL A 72 9.501 -8.025 -2.251 1.00 0.00 N ATOM 1209 CA VAL A 72 8.448 -7.300 -3.017 1.00 0.00 C ATOM 1210 C VAL A 72 7.157 -7.253 -2.198 1.00 0.00 C ATOM 1211 O VAL A 72 6.887 -8.124 -1.395 1.00 0.00 O ATOM 1212 CB VAL A 72 8.179 -8.024 -4.337 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.181 -7.556 -5.394 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.324 -9.534 -4.128 1.00 0.00 C ATOM 0 H VAL A 72 9.228 -8.943 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 72 8.790 -6.285 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 72 7.167 -7.798 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.987 -8.073 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.077 -6.481 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.194 -7.779 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.133 -10.051 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.335 -9.759 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.607 -9.868 -3.378 1.00 0.00 H new ATOM 1224 N TRP A 73 6.357 -6.242 -2.398 1.00 0.00 N ATOM 1225 CA TRP A 73 5.083 -6.133 -1.638 1.00 0.00 C ATOM 1226 C TRP A 73 3.914 -6.557 -2.528 1.00 0.00 C ATOM 1227 O TRP A 73 3.658 -5.955 -3.550 1.00 0.00 O ATOM 1228 CB TRP A 73 4.869 -4.691 -1.169 1.00 0.00 C ATOM 1229 CG TRP A 73 5.593 -4.467 0.119 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.567 -3.550 0.315 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.415 -5.155 1.391 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.000 -3.631 1.625 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.319 -4.605 2.329 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.564 -6.191 1.816 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.379 -5.067 3.644 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.621 -6.658 3.138 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.526 -6.097 4.051 1.00 0.00 C ATOM 0 H TRP A 73 6.533 -5.484 -3.058 1.00 0.00 H new ATOM 0 HA TRP A 73 5.136 -6.787 -0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.230 -3.995 -1.926 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.805 -4.495 -1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.945 -2.866 -0.430 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.733 -3.044 2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.863 -6.629 1.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.079 -4.632 4.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.964 -7.454 3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.564 -6.460 5.067 1.00 0.00 H new ATOM 1248 N THR A 74 3.203 -7.590 -2.163 1.00 0.00 N ATOM 1249 CA THR A 74 2.075 -8.032 -3.014 1.00 0.00 C ATOM 1250 C THR A 74 0.770 -8.068 -2.219 1.00 0.00 C ATOM 1251 O THR A 74 0.757 -7.968 -1.008 1.00 0.00 O ATOM 1252 CB THR A 74 2.376 -9.425 -3.558 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.168 -10.036 -3.992 1.00 0.00 O ATOM 1254 CG2 THR A 74 3.018 -10.277 -2.463 1.00 0.00 C ATOM 0 H THR A 74 3.357 -8.140 -1.318 1.00 0.00 H new ATOM 0 HA THR A 74 1.958 -7.323 -3.834 1.00 0.00 H new ATOM 0 HB THR A 74 3.064 -9.344 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.846 -9.586 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.232 -11.272 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.946 -9.809 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.334 -10.359 -1.618 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.333 -8.216 -2.904 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.649 -8.267 -2.213 1.00 0.00 C ATOM 1264 C VAL A 75 -2.358 -9.573 -2.576 1.00 0.00 C ATOM 1265 O VAL A 75 -2.191 -10.103 -3.656 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.507 -7.082 -2.660 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.522 -6.740 -1.569 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.608 -5.870 -2.914 1.00 0.00 C ATOM 0 H VAL A 75 -0.376 -8.304 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.498 -8.218 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.036 -7.345 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.131 -5.895 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.164 -7.602 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.995 -6.479 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.218 -5.025 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.079 -5.611 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.885 -6.110 -3.694 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.151 -10.090 -1.683 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.875 -11.360 -1.969 1.00 0.00 C ATOM 1280 C ASP A 76 -5.369 -11.067 -2.123 1.00 0.00 C ATOM 1281 O ASP A 76 -6.076 -10.874 -1.155 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.665 -12.339 -0.811 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.667 -13.421 -1.231 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.502 -13.094 -1.393 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -3.083 -14.557 -1.381 1.00 0.00 O ATOM 0 H ASP A 76 -3.331 -9.687 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.491 -11.799 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.294 -11.808 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.614 -12.795 -0.529 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.853 -11.031 -3.333 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.300 -10.750 -3.545 1.00 0.00 C ATOM 1292 C GLU A 77 -8.135 -11.712 -2.700 1.00 0.00 C ATOM 1293 O GLU A 77 -9.252 -11.415 -2.326 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.643 -10.937 -5.025 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.046 -12.254 -5.525 1.00 0.00 C ATOM 1296 CD GLU A 77 -5.795 -11.964 -6.359 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -5.878 -11.130 -7.245 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -4.776 -12.583 -6.097 1.00 0.00 O ATOM 0 H GLU A 77 -5.310 -11.184 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.520 -9.724 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.724 -10.941 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.252 -10.103 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.792 -12.894 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.779 -12.793 -6.125 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.603 -12.862 -2.390 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.367 -13.835 -1.568 1.00 0.00 C ATOM 1307 C VAL A 78 -8.488 -13.307 -0.138 1.00 0.00 C ATOM 1308 O VAL A 78 -9.572 -13.076 0.359 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.641 -15.182 -1.556 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.455 -16.195 -0.749 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.481 -15.688 -2.992 1.00 0.00 C ATOM 0 H VAL A 78 -6.672 -13.168 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.362 -13.966 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.658 -15.059 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.937 -17.154 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.571 -15.837 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.438 -16.317 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.964 -16.647 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.464 -15.809 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.901 -14.968 -3.569 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.382 -13.116 0.529 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.434 -12.605 1.925 1.00 0.00 C ATOM 1323 C GLU A 79 -7.975 -11.172 1.924 1.00 0.00 C ATOM 1324 O GLU A 79 -8.668 -10.759 2.833 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.030 -12.620 2.531 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.129 -12.532 4.056 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.427 -13.919 4.630 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.467 -14.862 3.859 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.611 -14.013 5.833 1.00 0.00 O ATOM 0 H GLU A 79 -6.445 -13.292 0.166 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.090 -13.242 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.508 -13.532 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.447 -11.783 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.196 -12.148 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.915 -11.833 4.340 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.663 -10.409 0.911 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.160 -9.008 0.854 1.00 0.00 C ATOM 1338 C PHE A 80 -9.688 -9.014 0.801 1.00 0.00 C ATOM 1339 O PHE A 80 -10.339 -8.106 1.278 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.605 -8.318 -0.394 1.00 0.00 C ATOM 1341 CG PHE A 80 -8.042 -6.872 -0.408 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.320 -6.532 -0.865 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -7.168 -5.873 0.036 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.725 -5.192 -0.877 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.573 -4.533 0.024 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.851 -4.192 -0.433 1.00 0.00 C ATOM 0 H PHE A 80 -7.085 -10.697 0.121 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.829 -8.467 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.517 -8.380 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.961 -8.825 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.994 -7.303 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.181 -6.136 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.712 -4.929 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.899 -3.762 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.163 -3.158 -0.443 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.266 -10.034 0.229 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.750 -10.102 0.149 1.00 0.00 C ATOM 1358 C GLN A 81 -12.285 -10.902 1.338 1.00 0.00 C ATOM 1359 O GLN A 81 -13.314 -10.582 1.900 1.00 0.00 O ATOM 1360 CB GLN A 81 -12.164 -10.784 -1.157 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.238 -9.943 -1.851 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.458 -10.464 -3.273 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -14.581 -10.667 -3.692 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.426 -10.690 -4.040 1.00 0.00 N ATOM 0 H GLN A 81 -9.773 -10.824 -0.187 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.162 -9.093 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.299 -10.900 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.545 -11.784 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.170 -9.988 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.933 -8.897 -1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.483 -10.520 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.562 -11.036 -4.990 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.592 -11.938 1.727 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.056 -12.754 2.885 1.00 0.00 C ATOM 1375 C LYS A 82 -12.517 -11.817 4.000 1.00 0.00 C ATOM 1376 O LYS A 82 -13.669 -11.812 4.387 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.902 -13.622 3.393 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.458 -14.910 4.003 1.00 0.00 C ATOM 1379 CD LYS A 82 -11.728 -15.927 2.893 1.00 0.00 C ATOM 1380 CE LYS A 82 -12.037 -17.290 3.515 1.00 0.00 C ATOM 1381 NZ LYS A 82 -13.247 -17.178 4.378 1.00 0.00 N ATOM 0 H LYS A 82 -10.725 -12.254 1.293 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.881 -13.396 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.224 -13.859 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.323 -13.076 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.748 -15.320 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.378 -14.699 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.566 -15.597 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.862 -16.003 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.203 -18.030 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.187 -17.634 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.588 -18.129 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.006 -16.662 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.992 -16.665 3.866 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.624 -11.019 4.517 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.000 -10.078 5.598 1.00 0.00 C ATOM 1397 C ARG A 83 -12.409 -8.739 4.982 1.00 0.00 C ATOM 1398 O ARG A 83 -11.905 -7.695 5.345 1.00 0.00 O ATOM 1399 CB ARG A 83 -10.806 -9.871 6.531 1.00 0.00 C ATOM 1400 CG ARG A 83 -11.304 -9.686 7.965 1.00 0.00 C ATOM 1401 CD ARG A 83 -11.027 -8.252 8.416 1.00 0.00 C ATOM 1402 NE ARG A 83 -12.125 -7.793 9.311 1.00 0.00 N ATOM 1403 CZ ARG A 83 -12.344 -8.405 10.441 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -13.023 -9.519 10.459 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -11.883 -7.905 11.554 1.00 0.00 N ATOM 0 H ARG A 83 -10.645 -10.981 4.232 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.835 -10.487 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.135 -10.728 6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.234 -8.998 6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.372 -9.897 8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.804 -10.391 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.072 -8.202 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.951 -7.595 7.550 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.706 -7.000 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.383 -9.911 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.194 -9.998 11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.351 -7.035 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.055 -8.384 12.438 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.319 -8.765 4.045 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.765 -7.508 3.397 1.00 0.00 C ATOM 1421 C ARG A 84 -15.297 -7.485 3.341 1.00 0.00 C ATOM 1422 O ARG A 84 -15.891 -8.111 2.485 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.202 -7.443 1.974 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.514 -6.096 1.753 1.00 0.00 C ATOM 1425 CD ARG A 84 -11.444 -5.884 2.825 1.00 0.00 C ATOM 1426 NE ARG A 84 -10.486 -4.835 2.373 1.00 0.00 N ATOM 1427 CZ ARG A 84 -9.538 -4.429 3.173 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -9.230 -5.133 4.229 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -8.901 -3.320 2.920 1.00 0.00 N ATOM 0 H ARG A 84 -13.773 -9.612 3.702 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.407 -6.652 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.492 -8.255 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.005 -7.576 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.061 -6.066 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -13.248 -5.291 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.910 -5.585 3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.914 -6.818 3.014 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.571 -4.435 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.730 -5.999 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.489 -4.816 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.143 -2.769 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.160 -3.003 3.546 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.894 -6.765 4.258 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.361 -6.646 4.341 1.00 0.00 C ATOM 1445 C PRO A 85 -17.883 -5.675 3.277 1.00 0.00 C ATOM 1446 O PRO A 85 -17.911 -4.477 3.477 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.597 -6.091 5.748 1.00 0.00 C ATOM 1448 CG PRO A 85 -16.278 -5.401 6.171 1.00 0.00 C ATOM 1449 CD PRO A 85 -15.165 -6.005 5.294 1.00 0.00 C ATOM 0 HA PRO A 85 -17.877 -7.590 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.425 -5.382 5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.858 -6.890 6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.342 -4.322 6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.074 -5.571 7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.540 -5.229 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.507 -6.652 5.874 1.00 0.00 H new ATOM 1457 N GLN A 86 -18.295 -6.182 2.148 1.00 0.00 N ATOM 1458 CA GLN A 86 -18.813 -5.289 1.076 1.00 0.00 C ATOM 1459 C GLN A 86 -20.048 -4.540 1.583 1.00 0.00 C ATOM 1460 O GLN A 86 -21.002 -5.136 2.041 1.00 0.00 O ATOM 1461 CB GLN A 86 -19.189 -6.127 -0.148 1.00 0.00 C ATOM 1462 CG GLN A 86 -17.951 -6.336 -1.023 1.00 0.00 C ATOM 1463 CD GLN A 86 -18.367 -6.371 -2.494 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -19.454 -6.804 -2.820 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -17.540 -5.929 -3.402 1.00 0.00 N ATOM 0 H GLN A 86 -18.295 -7.177 1.922 1.00 0.00 H new ATOM 0 HA GLN A 86 -18.042 -4.569 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -19.592 -7.090 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -19.971 -5.626 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -17.234 -5.532 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -17.454 -7.268 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -16.627 -5.566 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -17.806 -5.947 -4.386 1.00 0.00 H new ATOM 1474 N LYS A 87 -20.036 -3.237 1.505 1.00 0.00 N ATOM 1475 CA LYS A 87 -21.206 -2.450 1.982 1.00 0.00 C ATOM 1476 C LYS A 87 -22.455 -2.866 1.200 1.00 0.00 C ATOM 1477 O LYS A 87 -23.259 -3.598 1.753 1.00 0.00 O ATOM 1478 CB LYS A 87 -20.942 -0.958 1.763 1.00 0.00 C ATOM 1479 CG LYS A 87 -20.505 -0.316 3.082 1.00 0.00 C ATOM 1480 CD LYS A 87 -19.491 0.794 2.798 1.00 0.00 C ATOM 1481 CE LYS A 87 -19.457 1.770 3.976 1.00 0.00 C ATOM 1482 NZ LYS A 87 -18.462 1.301 4.980 1.00 0.00 N ATOM 1483 OXT LYS A 87 -22.584 -2.445 0.062 1.00 0.00 O ATOM 0 H LYS A 87 -19.265 -2.684 1.131 1.00 0.00 H new ATOM 0 HA LYS A 87 -21.362 -2.640 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.169 -0.822 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -21.842 -0.470 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -21.370 0.092 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -20.063 -1.068 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.502 0.365 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.760 1.321 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.195 2.769 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.444 1.841 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.438 1.964 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.731 0.356 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.521 1.255 4.541 1.00 0.00 H new TER 1497 LYS A 87