USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -160:sc= 0.344 (180deg=0.188) USER MOD Single : A 1 PHE N :NH3+ -125:sc= 0.038 (180deg=-0.0018) USER MOD Single : A 2 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.53) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.386 K(o=0.39,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= 1.44 (180deg=0.355) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= 0.784 (180deg=0.533) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -122:sc=-0.00298 (180deg=-0.0174) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0.753 (180deg=0.749) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 39 SER OG : rot 140:sc= -0.0743 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 39:sc= 0.14 USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= 1.18 (180deg=-0.799) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.507 (180deg=0.425) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 62 TYR OH : rot -25:sc= 0.346 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 1.86 (180deg=1.8) USER MOD Single : A 69 HIS : no HD1:sc=-0.000111 K(o=-0.00011,f=-0.7) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 2.01 (180deg=1.84) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -13.388 11.835 -0.401 1.00 0.00 N ATOM 2 CA PHE A 1 -13.008 12.706 -1.540 1.00 0.00 C ATOM 3 C PHE A 1 -11.568 12.388 -2.065 1.00 0.00 C ATOM 4 O PHE A 1 -10.848 11.537 -1.529 1.00 0.00 O ATOM 5 CB PHE A 1 -13.277 14.160 -1.089 1.00 0.00 C ATOM 6 CG PHE A 1 -13.320 15.219 -2.203 1.00 0.00 C ATOM 7 CD1 PHE A 1 -14.300 15.170 -3.208 1.00 0.00 C ATOM 8 CD2 PHE A 1 -12.376 16.256 -2.236 1.00 0.00 C ATOM 9 CE1 PHE A 1 -14.317 16.115 -4.235 1.00 0.00 C ATOM 10 CE2 PHE A 1 -12.392 17.202 -3.262 1.00 0.00 C ATOM 11 CZ PHE A 1 -13.360 17.128 -4.261 1.00 0.00 C ATOM 0 H1 PHE A 1 -14.282 11.350 -0.618 1.00 0.00 H new ATOM 0 H2 PHE A 1 -12.642 11.129 -0.240 1.00 0.00 H new ATOM 0 H3 PHE A 1 -13.507 12.414 0.454 1.00 0.00 H new ATOM 0 HA PHE A 1 -13.610 12.521 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -14.228 14.183 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -12.505 14.446 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -15.049 14.392 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -11.629 16.323 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -15.070 16.061 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -11.655 17.991 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 1 -13.369 17.857 -5.058 1.00 0.00 H new ATOM 22 N ASN A 2 -11.158 13.051 -3.162 1.00 0.00 N ATOM 23 CA ASN A 2 -9.841 12.804 -3.820 1.00 0.00 C ATOM 24 C ASN A 2 -8.579 13.135 -2.964 1.00 0.00 C ATOM 25 O ASN A 2 -7.632 12.344 -2.964 1.00 0.00 O ATOM 26 CB ASN A 2 -9.839 13.576 -5.166 1.00 0.00 C ATOM 27 CG ASN A 2 -8.718 13.173 -6.120 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.537 12.008 -6.452 1.00 0.00 O ATOM 29 ND2 ASN A 2 -7.927 14.101 -6.603 1.00 0.00 N ATOM 0 H ASN A 2 -11.718 13.769 -3.622 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.752 11.728 -3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.797 13.419 -5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.758 14.643 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.176 13.847 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.063 15.076 -6.337 1.00 0.00 H new ATOM 36 N VAL A 3 -8.568 14.280 -2.261 1.00 0.00 N ATOM 37 CA VAL A 3 -7.505 14.598 -1.266 1.00 0.00 C ATOM 38 C VAL A 3 -7.650 13.728 0.016 1.00 0.00 C ATOM 39 O VAL A 3 -8.525 13.963 0.852 1.00 0.00 O ATOM 40 CB VAL A 3 -7.404 16.135 -1.050 1.00 0.00 C ATOM 41 CG1 VAL A 3 -8.597 16.827 -0.379 1.00 0.00 C ATOM 42 CG2 VAL A 3 -6.125 16.513 -0.275 1.00 0.00 C ATOM 0 H VAL A 3 -9.278 15.006 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.527 14.314 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.387 16.508 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.395 17.894 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.492 16.676 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.753 16.403 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.086 17.594 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.134 16.027 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.250 16.185 -0.836 1.00 0.00 H new ATOM 52 N LYS A 4 -6.814 12.683 0.117 1.00 0.00 N ATOM 53 CA LYS A 4 -6.925 11.669 1.193 1.00 0.00 C ATOM 54 C LYS A 4 -5.505 11.228 1.648 1.00 0.00 C ATOM 55 O LYS A 4 -4.709 10.719 0.846 1.00 0.00 O ATOM 56 CB LYS A 4 -7.782 10.476 0.669 1.00 0.00 C ATOM 57 CG LYS A 4 -8.237 9.529 1.799 1.00 0.00 C ATOM 58 CD LYS A 4 -9.203 8.432 1.308 1.00 0.00 C ATOM 59 CE LYS A 4 -9.600 7.493 2.466 1.00 0.00 C ATOM 60 NZ LYS A 4 -10.615 6.499 2.019 1.00 0.00 N ATOM 0 H LYS A 4 -6.048 12.512 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.424 12.084 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.659 10.864 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.203 9.911 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.361 9.061 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.724 10.112 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.096 8.891 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.732 7.856 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.717 6.974 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.999 8.079 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.867 5.878 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.465 6.997 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.223 5.927 1.244 1.00 0.00 H new ATOM 74 N GLN A 5 -5.215 11.392 2.947 1.00 0.00 N ATOM 75 CA GLN A 5 -3.918 10.978 3.546 1.00 0.00 C ATOM 76 C GLN A 5 -3.687 9.426 3.577 1.00 0.00 C ATOM 77 O GLN A 5 -4.526 8.615 3.170 1.00 0.00 O ATOM 78 CB GLN A 5 -3.784 11.640 4.946 1.00 0.00 C ATOM 79 CG GLN A 5 -3.278 13.100 4.940 1.00 0.00 C ATOM 80 CD GLN A 5 -4.234 14.176 4.454 1.00 0.00 C ATOM 81 OE1 GLN A 5 -5.450 14.020 4.371 1.00 0.00 O ATOM 82 NE2 GLN A 5 -3.716 15.331 4.125 1.00 0.00 N ATOM 0 H GLN A 5 -5.861 11.811 3.616 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.118 11.335 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.756 11.612 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.104 11.040 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.975 13.354 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.382 13.142 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.708 15.475 4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.320 16.088 3.804 1.00 0.00 H new ATOM 91 N LYS A 6 -2.460 9.040 3.940 1.00 0.00 N ATOM 92 CA LYS A 6 -1.868 7.746 3.533 1.00 0.00 C ATOM 93 C LYS A 6 -2.181 6.563 4.502 1.00 0.00 C ATOM 94 O LYS A 6 -2.472 6.747 5.688 1.00 0.00 O ATOM 95 CB LYS A 6 -0.337 7.927 3.386 1.00 0.00 C ATOM 96 CG LYS A 6 0.201 9.054 2.501 1.00 0.00 C ATOM 97 CD LYS A 6 -0.097 9.083 1.008 1.00 0.00 C ATOM 98 CE LYS A 6 -1.495 9.511 0.567 1.00 0.00 C ATOM 99 NZ LYS A 6 -1.403 9.961 -0.845 1.00 0.00 N ATOM 0 H LYS A 6 -1.845 9.608 4.522 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.328 7.470 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.074 8.070 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.069 6.990 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.165 9.992 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.285 9.058 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.622 9.753 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.088 8.085 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.196 8.682 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.867 10.315 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.637 10.973 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.436 9.809 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.072 9.417 -1.427 1.00 0.00 H new ATOM 113 N SER A 7 -2.097 5.342 3.960 1.00 0.00 N ATOM 114 CA SER A 7 -2.298 4.099 4.747 1.00 0.00 C ATOM 115 C SER A 7 -1.154 3.112 4.410 1.00 0.00 C ATOM 116 O SER A 7 -1.138 2.574 3.302 1.00 0.00 O ATOM 117 CB SER A 7 -3.684 3.504 4.382 1.00 0.00 C ATOM 118 OG SER A 7 -3.987 2.354 5.167 1.00 0.00 O ATOM 0 H SER A 7 -1.890 5.178 2.975 1.00 0.00 H new ATOM 0 HA SER A 7 -2.278 4.299 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.455 4.260 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.699 3.237 3.325 1.00 0.00 H new ATOM 0 HG SER A 7 -4.867 2.007 4.912 1.00 0.00 H new ATOM 124 N GLU A 8 -0.214 2.896 5.344 1.00 0.00 N ATOM 125 CA GLU A 8 0.824 1.841 5.202 1.00 0.00 C ATOM 126 C GLU A 8 0.482 0.647 6.148 1.00 0.00 C ATOM 127 O GLU A 8 0.647 0.745 7.368 1.00 0.00 O ATOM 128 CB GLU A 8 2.249 2.390 5.457 1.00 0.00 C ATOM 129 CG GLU A 8 2.742 3.383 4.382 1.00 0.00 C ATOM 130 CD GLU A 8 4.249 3.443 4.265 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.866 4.194 5.046 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.841 2.764 3.400 1.00 0.00 O ATOM 0 H GLU A 8 -0.144 3.433 6.208 1.00 0.00 H new ATOM 0 HA GLU A 8 0.820 1.485 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.268 2.883 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.945 1.553 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.321 3.101 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.363 4.378 4.616 1.00 0.00 H new ATOM 139 N ILE A 9 -0.027 -0.459 5.578 1.00 0.00 N ATOM 140 CA ILE A 9 -0.504 -1.627 6.368 1.00 0.00 C ATOM 141 C ILE A 9 0.443 -2.851 6.097 1.00 0.00 C ATOM 142 O ILE A 9 0.879 -3.126 4.974 1.00 0.00 O ATOM 143 CB ILE A 9 -1.994 -1.970 6.032 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.000 -0.798 6.198 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.533 -3.221 6.765 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.164 -0.222 7.604 1.00 0.00 C ATOM 0 H ILE A 9 -0.122 -0.577 4.569 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.471 -1.380 7.429 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.935 -2.191 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.692 0.010 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.977 -1.138 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.571 -3.391 6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.934 -4.089 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.474 -3.065 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.893 0.588 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.510 -1.004 8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.206 0.162 7.954 1.00 0.00 H new ATOM 158 N THR A 10 0.664 -3.607 7.174 1.00 0.00 N ATOM 159 CA THR A 10 1.438 -4.869 7.174 1.00 0.00 C ATOM 160 C THR A 10 0.877 -6.042 6.312 1.00 0.00 C ATOM 161 O THR A 10 -0.272 -6.036 5.857 1.00 0.00 O ATOM 162 CB THR A 10 1.649 -5.237 8.680 1.00 0.00 C ATOM 163 OG1 THR A 10 2.651 -6.237 8.810 1.00 0.00 O ATOM 164 CG2 THR A 10 0.424 -5.752 9.434 1.00 0.00 C ATOM 0 H THR A 10 0.305 -3.361 8.097 1.00 0.00 H new ATOM 0 HA THR A 10 2.382 -4.699 6.656 1.00 0.00 H new ATOM 0 HB THR A 10 1.924 -4.282 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.774 -6.456 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.698 -5.972 10.466 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.358 -4.992 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.057 -6.659 8.955 1.00 0.00 H new ATOM 172 N ALA A 11 1.721 -7.065 6.116 1.00 0.00 N ATOM 173 CA ALA A 11 1.370 -8.267 5.345 1.00 0.00 C ATOM 174 C ALA A 11 0.296 -9.190 5.981 1.00 0.00 C ATOM 175 O ALA A 11 0.398 -9.592 7.143 1.00 0.00 O ATOM 176 CB ALA A 11 2.681 -9.047 5.122 1.00 0.00 C ATOM 0 H ALA A 11 2.670 -7.082 6.489 1.00 0.00 H new ATOM 0 HA ALA A 11 0.903 -7.934 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.473 -9.952 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.386 -8.424 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.112 -9.317 6.086 1.00 0.00 H new ATOM 182 N LEU A 12 -0.705 -9.545 5.171 1.00 0.00 N ATOM 183 CA LEU A 12 -1.717 -10.564 5.515 1.00 0.00 C ATOM 184 C LEU A 12 -1.450 -11.873 4.692 1.00 0.00 C ATOM 185 O LEU A 12 -0.925 -11.861 3.572 1.00 0.00 O ATOM 186 CB LEU A 12 -3.113 -9.970 5.174 1.00 0.00 C ATOM 187 CG LEU A 12 -3.865 -9.200 6.284 1.00 0.00 C ATOM 188 CD1 LEU A 12 -4.312 -10.120 7.428 1.00 0.00 C ATOM 189 CD2 LEU A 12 -3.102 -7.996 6.839 1.00 0.00 C ATOM 0 H LEU A 12 -0.843 -9.133 4.248 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.671 -10.822 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.991 -9.298 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.752 -10.788 4.843 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.750 -8.804 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.836 -9.534 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.980 -10.888 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.439 -10.593 7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.699 -7.512 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.156 -8.330 7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.906 -7.287 6.035 1.00 0.00 H new ATOM 201 N VAL A 13 -1.891 -12.998 5.260 1.00 0.00 N ATOM 202 CA VAL A 13 -1.936 -14.313 4.566 1.00 0.00 C ATOM 203 C VAL A 13 -2.852 -14.309 3.299 1.00 0.00 C ATOM 204 O VAL A 13 -3.943 -13.730 3.316 1.00 0.00 O ATOM 205 CB VAL A 13 -2.381 -15.454 5.548 1.00 0.00 C ATOM 206 CG1 VAL A 13 -1.253 -15.846 6.522 1.00 0.00 C ATOM 207 CG2 VAL A 13 -3.675 -15.194 6.341 1.00 0.00 C ATOM 0 H VAL A 13 -2.232 -13.036 6.221 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.919 -14.507 4.225 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.607 -16.281 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.603 -16.638 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.391 -16.200 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.967 -14.978 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.884 -16.048 6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.554 -14.299 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.504 -15.051 5.648 1.00 0.00 H new ATOM 217 N LYS A 14 -2.411 -14.968 2.217 1.00 0.00 N ATOM 218 CA LYS A 14 -3.175 -14.980 0.938 1.00 0.00 C ATOM 219 C LYS A 14 -4.494 -15.817 1.043 1.00 0.00 C ATOM 220 O LYS A 14 -4.569 -16.868 1.687 1.00 0.00 O ATOM 221 CB LYS A 14 -2.229 -15.528 -0.166 1.00 0.00 C ATOM 222 CG LYS A 14 -2.746 -15.404 -1.615 1.00 0.00 C ATOM 223 CD LYS A 14 -2.171 -16.492 -2.543 1.00 0.00 C ATOM 224 CE LYS A 14 -2.889 -16.559 -3.908 1.00 0.00 C ATOM 225 NZ LYS A 14 -4.168 -17.333 -3.821 1.00 0.00 N ATOM 0 H LYS A 14 -1.540 -15.498 2.191 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.496 -13.968 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.276 -15.004 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.031 -16.580 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.834 -15.469 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.485 -14.421 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.110 -16.300 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.248 -17.461 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.098 -15.549 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.232 -17.023 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.807 -17.035 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.966 -18.349 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.621 -17.153 -2.902 1.00 0.00 H new ATOM 239 N GLU A 15 -5.506 -15.319 0.338 1.00 0.00 N ATOM 240 CA GLU A 15 -6.806 -15.978 0.131 1.00 0.00 C ATOM 241 C GLU A 15 -6.684 -17.355 -0.629 1.00 0.00 C ATOM 242 O GLU A 15 -6.083 -17.439 -1.709 1.00 0.00 O ATOM 243 CB GLU A 15 -7.680 -14.977 -0.685 1.00 0.00 C ATOM 244 CG GLU A 15 -7.962 -13.593 -0.049 1.00 0.00 C ATOM 245 CD GLU A 15 -6.924 -12.472 -0.162 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.767 -12.694 -0.588 1.00 0.00 O ATOM 247 OE2 GLU A 15 -7.275 -11.336 0.216 1.00 0.00 O ATOM 0 H GLU A 15 -5.448 -14.412 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.252 -16.220 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.194 -14.813 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.638 -15.455 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.890 -13.220 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.149 -13.756 1.012 1.00 0.00 H new ATOM 254 N VAL A 16 -7.199 -18.420 -0.003 1.00 0.00 N ATOM 255 CA VAL A 16 -7.119 -19.825 -0.524 1.00 0.00 C ATOM 256 C VAL A 16 -8.518 -20.501 -0.235 1.00 0.00 C ATOM 257 O VAL A 16 -9.045 -20.385 0.877 1.00 0.00 O ATOM 258 CB VAL A 16 -5.957 -20.617 0.166 1.00 0.00 C ATOM 259 CG1 VAL A 16 -5.875 -22.104 -0.257 1.00 0.00 C ATOM 260 CG2 VAL A 16 -4.544 -20.042 -0.100 1.00 0.00 C ATOM 0 H VAL A 16 -7.691 -18.350 0.888 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.902 -19.828 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.223 -20.518 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.046 -22.585 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.807 -22.608 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.714 -22.168 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.801 -20.651 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.343 -20.052 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.493 -19.018 0.269 1.00 0.00 H new ATOM 270 N THR A 17 -9.087 -21.215 -1.221 1.00 0.00 N ATOM 271 CA THR A 17 -10.424 -21.871 -1.079 1.00 0.00 C ATOM 272 C THR A 17 -10.414 -23.143 -0.160 1.00 0.00 C ATOM 273 O THR A 17 -11.194 -23.114 0.796 1.00 0.00 O ATOM 274 CB THR A 17 -11.078 -22.121 -2.476 1.00 0.00 C ATOM 275 OG1 THR A 17 -10.995 -20.967 -3.309 1.00 0.00 O ATOM 276 CG2 THR A 17 -12.568 -22.448 -2.397 1.00 0.00 C ATOM 0 H THR A 17 -8.651 -21.360 -2.132 1.00 0.00 H new ATOM 0 HA THR A 17 -11.062 -21.166 -0.545 1.00 0.00 H new ATOM 0 HB THR A 17 -10.520 -22.966 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.412 -21.158 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.959 -22.610 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.712 -23.350 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.099 -21.618 -1.931 1.00 0.00 H new ATOM 284 N PRO A 18 -9.606 -24.234 -0.334 1.00 0.00 N ATOM 285 CA PRO A 18 -9.485 -25.309 0.713 1.00 0.00 C ATOM 286 C PRO A 18 -8.736 -24.866 2.016 1.00 0.00 C ATOM 287 O PRO A 18 -8.044 -23.842 1.983 1.00 0.00 O ATOM 288 CB PRO A 18 -8.750 -26.421 -0.078 1.00 0.00 C ATOM 289 CG PRO A 18 -7.847 -25.655 -1.069 1.00 0.00 C ATOM 290 CD PRO A 18 -8.711 -24.451 -1.490 1.00 0.00 C ATOM 0 HA PRO A 18 -10.446 -25.617 1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.163 -27.058 0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.454 -27.068 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.917 -25.336 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.576 -26.273 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.099 -23.572 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.276 -24.662 -2.398 1.00 0.00 H new ATOM 298 N PRO A 19 -8.830 -25.568 3.182 1.00 0.00 N ATOM 299 CA PRO A 19 -8.354 -25.003 4.497 1.00 0.00 C ATOM 300 C PRO A 19 -6.817 -25.010 4.714 1.00 0.00 C ATOM 301 O PRO A 19 -6.255 -25.851 5.420 1.00 0.00 O ATOM 302 CB PRO A 19 -9.151 -25.865 5.517 1.00 0.00 C ATOM 303 CG PRO A 19 -9.334 -27.223 4.801 1.00 0.00 C ATOM 304 CD PRO A 19 -9.612 -26.814 3.345 1.00 0.00 C ATOM 0 HA PRO A 19 -8.540 -23.933 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.606 -25.979 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.111 -25.410 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.442 -27.845 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.160 -27.794 5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.291 -27.584 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.675 -26.647 3.171 1.00 0.00 H new ATOM 312 N ARG A 20 -6.146 -24.024 4.099 1.00 0.00 N ATOM 313 CA ARG A 20 -4.667 -23.906 4.133 1.00 0.00 C ATOM 314 C ARG A 20 -4.233 -22.438 3.848 1.00 0.00 C ATOM 315 O ARG A 20 -4.856 -21.729 3.054 1.00 0.00 O ATOM 316 CB ARG A 20 -4.048 -24.906 3.113 1.00 0.00 C ATOM 317 CG ARG A 20 -3.198 -26.003 3.792 1.00 0.00 C ATOM 318 CD ARG A 20 -3.329 -27.394 3.147 1.00 0.00 C ATOM 319 NE ARG A 20 -2.730 -27.469 1.790 1.00 0.00 N ATOM 320 CZ ARG A 20 -1.580 -28.059 1.473 1.00 0.00 C ATOM 321 NH1 ARG A 20 -0.777 -28.616 2.344 1.00 0.00 N ATOM 322 NH2 ARG A 20 -1.231 -28.081 0.221 1.00 0.00 N ATOM 0 H ARG A 20 -6.604 -23.286 3.565 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.298 -24.161 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.848 -25.375 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.427 -24.358 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.151 -25.702 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.486 -26.073 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.849 -28.132 3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.384 -27.661 3.087 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.248 -27.027 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.019 -28.614 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.091 -29.052 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.832 -27.654 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.356 -28.525 -0.057 1.00 0.00 H new ATOM 336 N LYS A 21 -3.158 -21.985 4.507 1.00 0.00 N ATOM 337 CA LYS A 21 -2.743 -20.558 4.474 1.00 0.00 C ATOM 338 C LYS A 21 -1.341 -20.387 3.819 1.00 0.00 C ATOM 339 O LYS A 21 -0.346 -20.926 4.310 1.00 0.00 O ATOM 340 CB LYS A 21 -2.777 -19.989 5.911 1.00 0.00 C ATOM 341 CG LYS A 21 -4.176 -19.800 6.540 1.00 0.00 C ATOM 342 CD LYS A 21 -4.990 -18.619 5.984 1.00 0.00 C ATOM 343 CE LYS A 21 -6.020 -18.973 4.904 1.00 0.00 C ATOM 344 NZ LYS A 21 -6.649 -17.718 4.397 1.00 0.00 N ATOM 0 H LYS A 21 -2.553 -22.580 5.073 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.442 -19.996 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.199 -20.652 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.270 -19.024 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.749 -20.716 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.058 -19.665 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.510 -18.138 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.297 -17.885 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.538 -19.509 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.782 -19.636 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.349 -17.952 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.121 -17.225 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.916 -17.102 3.992 1.00 0.00 H new ATOM 358 N ALA A 22 -1.274 -19.614 2.721 1.00 0.00 N ATOM 359 CA ALA A 22 -0.001 -19.357 2.005 1.00 0.00 C ATOM 360 C ALA A 22 0.732 -18.081 2.538 1.00 0.00 C ATOM 361 O ALA A 22 0.121 -17.002 2.502 1.00 0.00 O ATOM 362 CB ALA A 22 -0.327 -19.251 0.507 1.00 0.00 C ATOM 0 H ALA A 22 -2.084 -19.154 2.306 1.00 0.00 H new ATOM 0 HA ALA A 22 0.694 -20.178 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.589 -19.062 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.774 -20.184 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.027 -18.432 0.344 1.00 0.00 H new ATOM 368 N PRO A 23 2.012 -18.130 3.017 1.00 0.00 N ATOM 369 CA PRO A 23 2.702 -16.935 3.620 1.00 0.00 C ATOM 370 C PRO A 23 3.251 -15.923 2.576 1.00 0.00 C ATOM 371 O PRO A 23 4.434 -15.902 2.214 1.00 0.00 O ATOM 372 CB PRO A 23 3.788 -17.606 4.503 1.00 0.00 C ATOM 373 CG PRO A 23 4.140 -18.910 3.752 1.00 0.00 C ATOM 374 CD PRO A 23 2.777 -19.384 3.222 1.00 0.00 C ATOM 0 HA PRO A 23 2.032 -16.288 4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.662 -16.964 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.413 -17.813 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.847 -18.731 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.594 -19.647 4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.883 -19.942 2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.280 -20.042 3.934 1.00 0.00 H new ATOM 382 N SER A 24 2.336 -15.072 2.111 1.00 0.00 N ATOM 383 CA SER A 24 2.583 -14.115 1.013 1.00 0.00 C ATOM 384 C SER A 24 3.221 -12.784 1.482 1.00 0.00 C ATOM 385 O SER A 24 2.923 -12.255 2.557 1.00 0.00 O ATOM 386 CB SER A 24 1.206 -13.900 0.329 1.00 0.00 C ATOM 387 OG SER A 24 1.243 -12.883 -0.670 1.00 0.00 O ATOM 0 H SER A 24 1.389 -15.021 2.486 1.00 0.00 H new ATOM 0 HA SER A 24 3.320 -14.517 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.879 -14.836 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.466 -13.635 1.085 1.00 0.00 H new ATOM 0 HG SER A 24 0.406 -12.894 -1.180 1.00 0.00 H new ATOM 393 N LYS A 25 4.080 -12.215 0.620 1.00 0.00 N ATOM 394 CA LYS A 25 4.630 -10.850 0.832 1.00 0.00 C ATOM 395 C LYS A 25 3.574 -9.787 0.401 1.00 0.00 C ATOM 396 O LYS A 25 3.436 -9.442 -0.776 1.00 0.00 O ATOM 397 CB LYS A 25 5.980 -10.668 0.095 1.00 0.00 C ATOM 398 CG LYS A 25 7.224 -11.155 0.872 1.00 0.00 C ATOM 399 CD LYS A 25 7.301 -12.676 1.077 1.00 0.00 C ATOM 400 CE LYS A 25 8.522 -13.095 1.908 1.00 0.00 C ATOM 401 NZ LYS A 25 8.472 -14.572 2.107 1.00 0.00 N ATOM 0 H LYS A 25 4.412 -12.671 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 25 4.838 -10.709 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.932 -11.202 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.108 -9.611 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.118 -10.828 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.238 -10.670 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.393 -13.019 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.340 -13.169 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.443 -12.812 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.520 -12.582 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.293 -14.875 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.597 -14.825 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.491 -15.048 1.182 1.00 0.00 H new ATOM 415 N ALA A 26 2.817 -9.324 1.398 1.00 0.00 N ATOM 416 CA ALA A 26 1.659 -8.439 1.199 1.00 0.00 C ATOM 417 C ALA A 26 1.959 -7.023 1.735 1.00 0.00 C ATOM 418 O ALA A 26 2.558 -6.836 2.796 1.00 0.00 O ATOM 419 CB ALA A 26 0.475 -9.122 1.897 1.00 0.00 C ATOM 0 H ALA A 26 2.989 -9.553 2.377 1.00 0.00 H new ATOM 0 HA ALA A 26 1.423 -8.294 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.418 -8.508 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.303 -10.100 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.698 -9.244 2.957 1.00 0.00 H new ATOM 425 N LYS A 27 1.566 -6.016 0.959 1.00 0.00 N ATOM 426 CA LYS A 27 1.831 -4.602 1.306 1.00 0.00 C ATOM 427 C LYS A 27 0.653 -3.717 0.799 1.00 0.00 C ATOM 428 O LYS A 27 0.277 -3.795 -0.379 1.00 0.00 O ATOM 429 CB LYS A 27 3.170 -4.159 0.678 1.00 0.00 C ATOM 430 CG LYS A 27 4.412 -4.280 1.575 1.00 0.00 C ATOM 431 CD LYS A 27 5.294 -5.493 1.261 1.00 0.00 C ATOM 432 CE LYS A 27 6.001 -6.119 2.478 1.00 0.00 C ATOM 433 NZ LYS A 27 6.827 -5.140 3.250 1.00 0.00 N ATOM 0 H LYS A 27 1.061 -6.142 0.082 1.00 0.00 H new ATOM 0 HA LYS A 27 1.907 -4.489 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.338 -4.750 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.074 -3.120 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.009 -3.374 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.092 -4.337 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.679 -6.257 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.050 -5.195 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.253 -6.554 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.639 -6.935 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.813 -5.469 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.789 -4.211 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.454 -5.058 4.217 1.00 0.00 H new ATOM 447 N ARG A 28 0.105 -2.873 1.688 1.00 0.00 N ATOM 448 CA ARG A 28 -0.968 -1.909 1.329 1.00 0.00 C ATOM 449 C ARG A 28 -0.377 -0.487 1.587 1.00 0.00 C ATOM 450 O ARG A 28 -0.171 -0.143 2.749 1.00 0.00 O ATOM 451 CB ARG A 28 -2.297 -2.098 2.122 1.00 0.00 C ATOM 452 CG ARG A 28 -2.747 -3.548 2.385 1.00 0.00 C ATOM 453 CD ARG A 28 -4.144 -3.660 3.023 1.00 0.00 C ATOM 454 NE ARG A 28 -4.454 -5.109 3.194 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.663 -5.640 3.362 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.766 -4.942 3.425 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.764 -6.934 3.464 1.00 0.00 N ATOM 0 H ARG A 28 0.384 -2.833 2.668 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.250 -2.069 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.194 -1.594 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.093 -1.588 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.743 -4.096 1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.020 -4.031 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.166 -3.149 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.892 -3.182 2.391 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.664 -5.754 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.732 -3.926 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.661 -5.413 3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.928 -7.516 3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.679 -7.366 3.593 1.00 0.00 H new ATOM 471 N GLU A 29 -0.064 0.283 0.532 1.00 0.00 N ATOM 472 CA GLU A 29 0.601 1.605 0.694 1.00 0.00 C ATOM 473 C GLU A 29 0.009 2.641 -0.301 1.00 0.00 C ATOM 474 O GLU A 29 -0.169 2.364 -1.495 1.00 0.00 O ATOM 475 CB GLU A 29 2.139 1.603 0.498 1.00 0.00 C ATOM 476 CG GLU A 29 2.942 0.874 1.580 1.00 0.00 C ATOM 477 CD GLU A 29 3.262 -0.567 1.299 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.715 -0.870 0.172 1.00 0.00 O ATOM 479 OE2 GLU A 29 3.068 -1.411 2.197 1.00 0.00 O ATOM 0 H GLU A 29 -0.255 0.025 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 29 0.406 1.869 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.364 1.147 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.483 2.636 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.878 1.411 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.386 0.927 2.516 1.00 0.00 H new ATOM 486 N ALA A 30 -0.212 3.855 0.208 1.00 0.00 N ATOM 487 CA ALA A 30 -0.440 5.037 -0.635 1.00 0.00 C ATOM 488 C ALA A 30 0.856 5.854 -0.927 1.00 0.00 C ATOM 489 O ALA A 30 1.487 6.315 0.027 1.00 0.00 O ATOM 490 CB ALA A 30 -1.475 5.888 0.114 1.00 0.00 C ATOM 0 H ALA A 30 -0.238 4.049 1.209 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.791 4.729 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.691 6.788 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.392 5.313 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.078 6.168 1.090 1.00 0.00 H new ATOM 496 N PRO A 31 1.220 6.125 -2.205 1.00 0.00 N ATOM 497 CA PRO A 31 2.246 7.169 -2.548 1.00 0.00 C ATOM 498 C PRO A 31 1.574 8.490 -3.026 1.00 0.00 C ATOM 499 O PRO A 31 0.798 9.087 -2.273 1.00 0.00 O ATOM 500 CB PRO A 31 3.110 6.361 -3.546 1.00 0.00 C ATOM 501 CG PRO A 31 2.082 5.543 -4.354 1.00 0.00 C ATOM 502 CD PRO A 31 1.035 5.141 -3.301 1.00 0.00 C ATOM 0 HA PRO A 31 2.862 7.577 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.693 7.018 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.817 5.713 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.639 6.135 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.540 4.670 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.025 5.184 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.194 4.121 -2.951 1.00 0.00 H new ATOM 510 N ILE A 32 1.861 8.953 -4.252 1.00 0.00 N ATOM 511 CA ILE A 32 1.443 10.282 -4.757 1.00 0.00 C ATOM 512 C ILE A 32 0.246 10.209 -5.753 1.00 0.00 C ATOM 513 O ILE A 32 0.231 9.406 -6.690 1.00 0.00 O ATOM 514 CB ILE A 32 2.633 11.067 -5.442 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.437 10.302 -6.506 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.561 11.608 -4.344 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.369 11.177 -7.348 1.00 0.00 C ATOM 0 H ILE A 32 2.396 8.414 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 32 1.119 10.825 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 32 2.165 11.869 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.030 9.533 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.741 9.790 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.387 12.152 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.001 12.279 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.954 10.777 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.896 10.556 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.783 11.930 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.092 11.669 -6.698 1.00 0.00 H new ATOM 529 N LYS A 33 -0.708 11.130 -5.583 1.00 0.00 N ATOM 530 CA LYS A 33 -1.848 11.314 -6.536 1.00 0.00 C ATOM 531 C LYS A 33 -1.517 12.048 -7.879 1.00 0.00 C ATOM 532 O LYS A 33 -2.246 11.871 -8.855 1.00 0.00 O ATOM 533 CB LYS A 33 -2.974 12.005 -5.729 1.00 0.00 C ATOM 534 CG LYS A 33 -4.384 11.991 -6.343 1.00 0.00 C ATOM 535 CD LYS A 33 -5.121 10.655 -6.242 1.00 0.00 C ATOM 536 CE LYS A 33 -5.924 10.312 -4.968 1.00 0.00 C ATOM 537 NZ LYS A 33 -5.309 10.682 -3.660 1.00 0.00 N ATOM 0 H LYS A 33 -0.728 11.773 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.151 10.335 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.027 11.532 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.686 13.044 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.984 12.758 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.309 12.268 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.810 10.600 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.383 9.866 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.895 10.803 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.110 9.238 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.920 10.355 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.374 10.234 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.204 11.715 -3.606 1.00 0.00 H new ATOM 551 N TYR A 34 -0.421 12.821 -7.930 1.00 0.00 N ATOM 552 CA TYR A 34 0.134 13.385 -9.192 1.00 0.00 C ATOM 553 C TYR A 34 0.599 12.339 -10.269 1.00 0.00 C ATOM 554 O TYR A 34 0.390 12.584 -11.458 1.00 0.00 O ATOM 555 CB TYR A 34 1.278 14.338 -8.753 1.00 0.00 C ATOM 556 CG TYR A 34 1.823 15.281 -9.837 1.00 0.00 C ATOM 557 CD1 TYR A 34 1.150 16.471 -10.161 1.00 0.00 C ATOM 558 CD2 TYR A 34 3.017 14.981 -10.505 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.659 17.333 -11.136 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.527 15.841 -11.482 1.00 0.00 C ATOM 561 CZ TYR A 34 2.849 17.019 -11.792 1.00 0.00 C ATOM 562 OH TYR A 34 3.350 17.887 -12.714 1.00 0.00 O ATOM 0 H TYR A 34 0.114 13.079 -7.101 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.661 13.903 -9.728 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.920 14.943 -7.920 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.103 13.733 -8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.231 16.722 -9.652 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.550 14.074 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.131 18.242 -11.382 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.444 15.593 -11.996 1.00 0.00 H new ATOM 0 HH TYR A 34 4.184 17.528 -13.082 1.00 0.00 H new ATOM 572 N TRP A 35 1.214 11.213 -9.863 1.00 0.00 N ATOM 573 CA TRP A 35 1.564 10.101 -10.795 1.00 0.00 C ATOM 574 C TRP A 35 0.411 9.061 -10.987 1.00 0.00 C ATOM 575 O TRP A 35 0.092 8.746 -12.134 1.00 0.00 O ATOM 576 CB TRP A 35 2.885 9.489 -10.283 1.00 0.00 C ATOM 577 CG TRP A 35 3.633 8.555 -11.280 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.545 7.140 -11.345 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.603 8.892 -12.233 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.425 6.592 -12.290 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.070 7.686 -12.828 1.00 0.00 C ATOM 582 CE3 TRP A 35 5.155 10.149 -12.643 1.00 0.00 C ATOM 583 CZ2 TRP A 35 6.083 7.728 -13.825 1.00 0.00 C ATOM 584 CZ3 TRP A 35 6.141 10.159 -13.625 1.00 0.00 C ATOM 585 CH2 TRP A 35 6.602 8.963 -14.209 1.00 0.00 C ATOM 0 H TRP A 35 1.484 11.040 -8.895 1.00 0.00 H new ATOM 0 HA TRP A 35 1.704 10.484 -11.806 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.555 10.302 -10.004 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.673 8.924 -9.375 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.876 6.551 -10.735 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.558 5.608 -12.526 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.812 11.072 -12.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.445 6.817 -14.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.561 11.101 -13.945 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.370 9.004 -14.967 1.00 0.00 H new ATOM 596 N LEU A 36 -0.186 8.520 -9.907 1.00 0.00 N ATOM 597 CA LEU A 36 -1.251 7.492 -9.985 1.00 0.00 C ATOM 598 C LEU A 36 -2.608 8.027 -9.424 1.00 0.00 C ATOM 599 O LEU A 36 -2.612 8.484 -8.275 1.00 0.00 O ATOM 600 CB LEU A 36 -0.858 6.146 -9.309 1.00 0.00 C ATOM 601 CG LEU A 36 -0.128 6.168 -7.944 1.00 0.00 C ATOM 602 CD1 LEU A 36 -0.539 4.955 -7.104 1.00 0.00 C ATOM 603 CD2 LEU A 36 1.390 6.169 -8.176 1.00 0.00 C ATOM 0 H LEU A 36 0.055 8.782 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.380 7.277 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.771 5.564 -9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.226 5.600 -10.010 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.407 7.071 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.019 4.982 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.615 4.979 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.276 4.040 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.905 6.185 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.675 5.272 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.669 7.051 -8.752 1.00 0.00 H new ATOM 615 N PRO A 37 -3.783 7.951 -10.116 1.00 0.00 N ATOM 616 CA PRO A 37 -5.076 8.496 -9.567 1.00 0.00 C ATOM 617 C PRO A 37 -5.712 7.799 -8.328 1.00 0.00 C ATOM 618 O PRO A 37 -6.594 8.383 -7.698 1.00 0.00 O ATOM 619 CB PRO A 37 -6.003 8.470 -10.812 1.00 0.00 C ATOM 620 CG PRO A 37 -5.459 7.318 -11.684 1.00 0.00 C ATOM 621 CD PRO A 37 -3.935 7.365 -11.465 1.00 0.00 C ATOM 0 HA PRO A 37 -4.901 9.478 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.041 8.296 -10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.974 9.419 -11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.876 6.358 -11.380 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.715 7.458 -12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.493 6.370 -11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.442 7.974 -12.222 1.00 0.00 H new ATOM 629 N HIS A 38 -5.264 6.592 -7.956 1.00 0.00 N ATOM 630 CA HIS A 38 -5.658 5.928 -6.691 1.00 0.00 C ATOM 631 C HIS A 38 -4.396 5.644 -5.830 1.00 0.00 C ATOM 632 O HIS A 38 -3.809 4.559 -5.908 1.00 0.00 O ATOM 633 CB HIS A 38 -6.418 4.652 -7.121 1.00 0.00 C ATOM 634 CG HIS A 38 -7.020 3.816 -5.982 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.297 2.832 -5.329 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.345 3.837 -5.486 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.242 2.323 -4.483 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.500 2.865 -4.510 1.00 0.00 N ATOM 0 H HIS A 38 -4.617 6.042 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.300 6.541 -6.059 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.222 4.942 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.736 4.020 -7.689 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.121 4.511 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.003 1.513 -3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.325 2.620 -3.962 1.00 0.00 H new ATOM 647 N SER A 39 -4.023 6.590 -4.956 1.00 0.00 N ATOM 648 CA SER A 39 -2.932 6.368 -3.974 1.00 0.00 C ATOM 649 C SER A 39 -3.431 5.495 -2.782 1.00 0.00 C ATOM 650 O SER A 39 -4.111 5.988 -1.877 1.00 0.00 O ATOM 651 CB SER A 39 -2.379 7.724 -3.481 1.00 0.00 C ATOM 652 OG SER A 39 -1.982 8.555 -4.561 1.00 0.00 O ATOM 0 H SER A 39 -4.453 7.513 -4.903 1.00 0.00 H new ATOM 0 HA SER A 39 -2.123 5.826 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.140 8.234 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.527 7.552 -2.823 1.00 0.00 H new ATOM 0 HG SER A 39 -2.245 9.481 -4.375 1.00 0.00 H new ATOM 658 N GLY A 40 -3.095 4.200 -2.819 1.00 0.00 N ATOM 659 CA GLY A 40 -3.459 3.244 -1.751 1.00 0.00 C ATOM 660 C GLY A 40 -3.781 1.854 -2.300 1.00 0.00 C ATOM 661 O GLY A 40 -4.958 1.517 -2.443 1.00 0.00 O ATOM 0 H GLY A 40 -2.566 3.781 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.638 3.169 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.322 3.625 -1.204 1.00 0.00 H new ATOM 665 N ALA A 41 -2.743 1.068 -2.620 1.00 0.00 N ATOM 666 CA ALA A 41 -2.910 -0.207 -3.356 1.00 0.00 C ATOM 667 C ALA A 41 -2.358 -1.431 -2.572 1.00 0.00 C ATOM 668 O ALA A 41 -1.217 -1.416 -2.086 1.00 0.00 O ATOM 669 CB ALA A 41 -2.185 -0.059 -4.704 1.00 0.00 C ATOM 0 H ALA A 41 -1.775 1.288 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.974 -0.399 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.287 -0.982 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.625 0.766 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.129 0.144 -4.529 1.00 0.00 H new ATOM 675 N THR A 42 -3.172 -2.496 -2.506 1.00 0.00 N ATOM 676 CA THR A 42 -2.761 -3.804 -1.938 1.00 0.00 C ATOM 677 C THR A 42 -2.130 -4.738 -3.010 1.00 0.00 C ATOM 678 O THR A 42 -2.766 -5.042 -4.023 1.00 0.00 O ATOM 679 CB THR A 42 -3.954 -4.447 -1.175 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.504 -5.612 -0.490 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.180 -4.877 -1.969 1.00 0.00 C ATOM 0 H THR A 42 -4.135 -2.482 -2.843 1.00 0.00 H new ATOM 0 HA THR A 42 -1.964 -3.639 -1.213 1.00 0.00 H new ATOM 0 HB THR A 42 -4.286 -3.626 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.254 -6.018 -0.007 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.920 -5.305 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.608 -4.011 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.891 -5.623 -2.710 1.00 0.00 H new ATOM 689 N TRP A 43 -0.899 -5.213 -2.767 1.00 0.00 N ATOM 690 CA TRP A 43 -0.252 -6.241 -3.637 1.00 0.00 C ATOM 691 C TRP A 43 0.187 -7.438 -2.743 1.00 0.00 C ATOM 692 O TRP A 43 1.127 -7.309 -1.955 1.00 0.00 O ATOM 693 CB TRP A 43 0.941 -5.596 -4.385 1.00 0.00 C ATOM 694 CG TRP A 43 1.471 -6.396 -5.633 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.585 -7.811 -5.796 1.00 0.00 C ATOM 696 CD2 TRP A 43 1.993 -5.874 -6.830 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.108 -8.166 -7.047 1.00 0.00 N ATOM 698 CE2 TRP A 43 2.374 -6.964 -7.661 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.208 -4.530 -7.283 1.00 0.00 C ATOM 700 CZ2 TRP A 43 2.996 -6.722 -8.919 1.00 0.00 C ATOM 701 CZ3 TRP A 43 2.818 -4.324 -8.517 1.00 0.00 C ATOM 702 CH2 TRP A 43 3.213 -5.408 -9.324 1.00 0.00 C ATOM 0 H TRP A 43 -0.323 -4.911 -1.981 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.945 -6.617 -4.390 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.646 -4.599 -4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.763 -5.469 -3.681 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.300 -8.527 -5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.258 -9.104 -7.418 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.901 -3.691 -6.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.295 -7.546 -9.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.991 -3.315 -8.861 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.692 -5.217 -10.273 1.00 0.00 H new ATOM 713 N SER A 44 -0.483 -8.587 -2.897 1.00 0.00 N ATOM 714 CA SER A 44 -0.113 -9.849 -2.213 1.00 0.00 C ATOM 715 C SER A 44 0.644 -10.829 -3.152 1.00 0.00 C ATOM 716 O SER A 44 0.042 -11.534 -3.968 1.00 0.00 O ATOM 717 CB SER A 44 -1.398 -10.458 -1.583 1.00 0.00 C ATOM 718 OG SER A 44 -2.426 -10.747 -2.533 1.00 0.00 O ATOM 0 H SER A 44 -1.301 -8.676 -3.500 1.00 0.00 H new ATOM 0 HA SER A 44 0.599 -9.642 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.134 -11.376 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.789 -9.765 -0.838 1.00 0.00 H new ATOM 0 HG SER A 44 -2.024 -11.106 -3.351 1.00 0.00 H new ATOM 724 N GLY A 45 1.982 -10.871 -3.037 1.00 0.00 N ATOM 725 CA GLY A 45 2.823 -11.778 -3.858 1.00 0.00 C ATOM 726 C GLY A 45 4.237 -11.239 -4.090 1.00 0.00 C ATOM 727 O GLY A 45 5.178 -11.651 -3.410 1.00 0.00 O ATOM 0 H GLY A 45 2.510 -10.290 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.887 -12.749 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.339 -11.939 -4.821 1.00 0.00 H new ATOM 731 N ARG A 46 4.370 -10.302 -5.040 1.00 0.00 N ATOM 732 CA ARG A 46 5.627 -9.523 -5.224 1.00 0.00 C ATOM 733 C ARG A 46 5.795 -8.463 -4.102 1.00 0.00 C ATOM 734 O ARG A 46 4.868 -7.711 -3.780 1.00 0.00 O ATOM 735 CB ARG A 46 5.557 -8.874 -6.626 1.00 0.00 C ATOM 736 CG ARG A 46 6.769 -8.041 -7.091 1.00 0.00 C ATOM 737 CD ARG A 46 6.551 -6.521 -6.964 1.00 0.00 C ATOM 738 NE ARG A 46 7.582 -5.768 -7.726 1.00 0.00 N ATOM 739 CZ ARG A 46 8.740 -5.321 -7.247 1.00 0.00 C ATOM 740 NH1 ARG A 46 9.129 -5.474 -6.009 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.539 -4.695 -8.061 1.00 0.00 N ATOM 0 H ARG A 46 3.630 -10.057 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 46 6.500 -10.172 -5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.396 -9.668 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.677 -8.231 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.643 -8.326 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.990 -8.283 -8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.559 -6.260 -7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.587 -6.232 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 46 7.383 -5.576 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.530 -5.962 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.031 -5.105 -5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.270 -4.559 -9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.434 -4.340 -7.725 1.00 0.00 H new ATOM 755 N GLY A 47 7.014 -8.379 -3.553 1.00 0.00 N ATOM 756 CA GLY A 47 7.319 -7.429 -2.462 1.00 0.00 C ATOM 757 C GLY A 47 7.535 -5.979 -2.913 1.00 0.00 C ATOM 758 O GLY A 47 8.678 -5.529 -3.000 1.00 0.00 O ATOM 0 H GLY A 47 7.806 -8.953 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.503 -7.452 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.214 -7.770 -1.942 1.00 0.00 H new ATOM 762 N LYS A 48 6.441 -5.258 -3.194 1.00 0.00 N ATOM 763 CA LYS A 48 6.491 -3.799 -3.479 1.00 0.00 C ATOM 764 C LYS A 48 6.478 -2.962 -2.165 1.00 0.00 C ATOM 765 O LYS A 48 5.553 -3.089 -1.358 1.00 0.00 O ATOM 766 CB LYS A 48 5.364 -3.396 -4.477 1.00 0.00 C ATOM 767 CG LYS A 48 3.918 -3.420 -3.961 1.00 0.00 C ATOM 768 CD LYS A 48 3.345 -2.041 -3.544 1.00 0.00 C ATOM 769 CE LYS A 48 2.331 -2.243 -2.401 1.00 0.00 C ATOM 770 NZ LYS A 48 1.624 -1.018 -1.955 1.00 0.00 N ATOM 0 H LYS A 48 5.502 -5.655 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 48 7.438 -3.570 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.577 -2.389 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.425 -4.060 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.279 -3.842 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.866 -4.092 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.150 -1.381 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.862 -1.561 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.589 -2.974 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.853 -2.672 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.865 -0.820 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.913 -0.215 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.597 -1.160 -2.040 1.00 0.00 H new ATOM 784 N ILE A 49 7.488 -2.110 -1.960 1.00 0.00 N ATOM 785 CA ILE A 49 7.497 -1.135 -0.838 1.00 0.00 C ATOM 786 C ILE A 49 7.858 0.256 -1.488 1.00 0.00 C ATOM 787 O ILE A 49 9.004 0.394 -1.937 1.00 0.00 O ATOM 788 CB ILE A 49 8.508 -1.479 0.317 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.408 -2.910 0.913 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.233 -0.504 1.507 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.168 -3.996 0.158 1.00 0.00 C ATOM 0 H ILE A 49 8.317 -2.068 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 49 6.522 -1.143 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 49 9.493 -1.391 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.774 -2.883 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.356 -3.192 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.922 -0.722 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.377 0.524 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.208 -0.633 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.029 -4.953 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.789 -4.063 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.229 -3.749 0.135 1.00 0.00 H new ATOM 803 N PRO A 50 6.994 1.306 -1.541 1.00 0.00 N ATOM 804 CA PRO A 50 7.354 2.609 -2.212 1.00 0.00 C ATOM 805 C PRO A 50 8.206 3.625 -1.400 1.00 0.00 C ATOM 806 O PRO A 50 8.050 4.841 -1.525 1.00 0.00 O ATOM 807 CB PRO A 50 5.941 3.132 -2.581 1.00 0.00 C ATOM 808 CG PRO A 50 5.055 2.670 -1.400 1.00 0.00 C ATOM 809 CD PRO A 50 5.602 1.273 -1.054 1.00 0.00 C ATOM 0 HA PRO A 50 8.042 2.464 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.931 4.217 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.595 2.716 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.132 3.351 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.003 2.629 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.558 1.081 0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.027 0.486 -1.542 1.00 0.00 H new ATOM 817 N LYS A 51 9.190 3.102 -0.670 1.00 0.00 N ATOM 818 CA LYS A 51 10.191 3.898 0.070 1.00 0.00 C ATOM 819 C LYS A 51 11.246 4.603 -0.837 1.00 0.00 C ATOM 820 O LYS A 51 11.319 5.825 -0.692 1.00 0.00 O ATOM 821 CB LYS A 51 10.808 3.020 1.186 1.00 0.00 C ATOM 822 CG LYS A 51 9.887 2.808 2.409 1.00 0.00 C ATOM 823 CD LYS A 51 9.847 4.020 3.356 1.00 0.00 C ATOM 824 CE LYS A 51 8.881 3.847 4.538 1.00 0.00 C ATOM 825 NZ LYS A 51 7.472 3.980 4.085 1.00 0.00 N ATOM 0 H LYS A 51 9.324 2.096 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 51 9.679 4.740 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.066 2.047 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.738 3.479 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.876 2.593 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.226 1.933 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.850 4.202 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.558 4.904 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.031 2.870 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.095 4.594 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.850 4.081 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.380 4.819 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.199 3.133 3.548 1.00 0.00 H new ATOM 839 N PRO A 52 12.019 3.997 -1.788 1.00 0.00 N ATOM 840 CA PRO A 52 12.845 4.793 -2.763 1.00 0.00 C ATOM 841 C PRO A 52 12.087 5.723 -3.752 1.00 0.00 C ATOM 842 O PRO A 52 12.640 6.755 -4.138 1.00 0.00 O ATOM 843 CB PRO A 52 13.680 3.694 -3.466 1.00 0.00 C ATOM 844 CG PRO A 52 12.785 2.435 -3.411 1.00 0.00 C ATOM 845 CD PRO A 52 12.075 2.542 -2.048 1.00 0.00 C ATOM 0 HA PRO A 52 13.432 5.549 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.914 3.970 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.629 3.529 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.070 2.417 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.376 1.522 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.078 2.104 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.627 2.018 -1.268 1.00 0.00 H new ATOM 853 N PHE A 53 10.830 5.403 -4.114 1.00 0.00 N ATOM 854 CA PHE A 53 9.956 6.326 -4.883 1.00 0.00 C ATOM 855 C PHE A 53 9.478 7.543 -4.047 1.00 0.00 C ATOM 856 O PHE A 53 9.846 8.662 -4.403 1.00 0.00 O ATOM 857 CB PHE A 53 8.823 5.486 -5.519 1.00 0.00 C ATOM 858 CG PHE A 53 7.787 6.286 -6.325 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.092 6.817 -7.588 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.516 6.528 -5.781 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.135 7.534 -8.310 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.564 7.249 -6.500 1.00 0.00 C ATOM 863 CZ PHE A 53 5.866 7.737 -7.768 1.00 0.00 C ATOM 0 H PHE A 53 10.391 4.511 -3.888 1.00 0.00 H new ATOM 0 HA PHE A 53 10.519 6.800 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.271 4.739 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.305 4.946 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.077 6.670 -8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.274 6.153 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.377 7.930 -9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.589 7.429 -6.072 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.117 8.273 -8.332 1.00 0.00 H new ATOM 873 N GLU A 54 8.705 7.353 -2.961 1.00 0.00 N ATOM 874 CA GLU A 54 8.214 8.495 -2.124 1.00 0.00 C ATOM 875 C GLU A 54 9.304 9.330 -1.365 1.00 0.00 C ATOM 876 O GLU A 54 9.040 10.493 -1.037 1.00 0.00 O ATOM 877 CB GLU A 54 7.083 7.936 -1.227 1.00 0.00 C ATOM 878 CG GLU A 54 6.208 8.995 -0.528 1.00 0.00 C ATOM 879 CD GLU A 54 4.904 8.493 0.091 1.00 0.00 C ATOM 880 OE1 GLU A 54 4.677 7.275 0.196 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.077 9.354 0.466 1.00 0.00 O ATOM 0 H GLU A 54 8.403 6.435 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 54 7.831 9.271 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.439 7.302 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.529 7.298 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.801 9.465 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.966 9.772 -1.253 1.00 0.00 H new ATOM 888 N ALA A 55 10.513 8.767 -1.159 1.00 0.00 N ATOM 889 CA ALA A 55 11.728 9.528 -0.806 1.00 0.00 C ATOM 890 C ALA A 55 12.302 10.414 -1.943 1.00 0.00 C ATOM 891 O ALA A 55 12.427 11.618 -1.725 1.00 0.00 O ATOM 892 CB ALA A 55 12.783 8.527 -0.311 1.00 0.00 C ATOM 0 H ALA A 55 10.674 7.763 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 55 11.449 10.240 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.694 9.062 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.401 7.998 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.003 7.810 -1.102 1.00 0.00 H new ATOM 898 N TRP A 56 12.610 9.876 -3.142 1.00 0.00 N ATOM 899 CA TRP A 56 13.032 10.717 -4.307 1.00 0.00 C ATOM 900 C TRP A 56 11.953 11.743 -4.798 1.00 0.00 C ATOM 901 O TRP A 56 12.283 12.904 -5.050 1.00 0.00 O ATOM 902 CB TRP A 56 13.523 9.785 -5.434 1.00 0.00 C ATOM 903 CG TRP A 56 14.599 10.426 -6.379 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.489 11.620 -7.154 1.00 0.00 C ATOM 905 CD2 TRP A 56 15.885 9.947 -6.662 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.661 11.897 -7.877 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.507 10.853 -7.566 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.592 8.780 -6.222 1.00 0.00 C ATOM 909 CZ2 TRP A 56 17.831 10.600 -8.028 1.00 0.00 C ATOM 910 CZ3 TRP A 56 17.883 8.559 -6.695 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.496 9.459 -7.586 1.00 0.00 C ATOM 0 H TRP A 56 12.578 8.876 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 56 13.849 11.358 -3.974 1.00 0.00 H new ATOM 0 HB2 TRP A 56 13.940 8.882 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.667 9.477 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.605 12.240 -7.181 1.00 0.00 H new ATOM 0 HE1 TRP A 56 15.845 12.690 -8.492 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.132 8.085 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.312 11.284 -8.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.423 7.681 -6.372 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.499 9.262 -7.933 1.00 0.00 H new ATOM 922 N ILE A 57 10.674 11.343 -4.823 1.00 0.00 N ATOM 923 CA ILE A 57 9.514 12.284 -4.935 1.00 0.00 C ATOM 924 C ILE A 57 9.305 13.294 -3.729 1.00 0.00 C ATOM 925 O ILE A 57 8.458 14.185 -3.833 1.00 0.00 O ATOM 926 CB ILE A 57 8.285 11.399 -5.310 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.352 10.770 -6.738 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.899 12.002 -5.113 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.360 11.731 -7.923 1.00 0.00 C ATOM 0 H ILE A 57 10.398 10.363 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 57 9.705 13.019 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 57 8.394 10.622 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.251 10.156 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.500 10.100 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.141 11.278 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.760 12.259 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.803 12.901 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.409 11.163 -8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.450 12.330 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.227 12.387 -7.853 1.00 0.00 H new ATOM 941 N GLY A 58 10.091 13.220 -2.646 1.00 0.00 N ATOM 942 CA GLY A 58 10.236 14.325 -1.676 1.00 0.00 C ATOM 943 C GLY A 58 11.573 15.089 -1.673 1.00 0.00 C ATOM 944 O GLY A 58 11.522 16.300 -1.467 1.00 0.00 O ATOM 0 H GLY A 58 10.645 12.396 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.437 15.043 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.076 13.920 -0.677 1.00 0.00 H new ATOM 948 N THR A 59 12.728 14.428 -1.875 1.00 0.00 N ATOM 949 CA THR A 59 14.098 15.028 -1.711 1.00 0.00 C ATOM 950 C THR A 59 14.294 16.504 -2.209 1.00 0.00 C ATOM 951 O THR A 59 14.790 17.346 -1.461 1.00 0.00 O ATOM 952 CB THR A 59 15.153 14.081 -2.393 1.00 0.00 C ATOM 953 OG1 THR A 59 15.015 12.734 -1.961 1.00 0.00 O ATOM 954 CG2 THR A 59 16.604 14.438 -2.086 1.00 0.00 C ATOM 0 H THR A 59 12.754 13.449 -2.161 1.00 0.00 H new ATOM 0 HA THR A 59 14.242 15.104 -0.633 1.00 0.00 H new ATOM 0 HB THR A 59 14.945 14.207 -3.456 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.686 12.177 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.266 13.737 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.811 15.450 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.773 14.382 -1.011 1.00 0.00 H new ATOM 962 N ALA A 60 13.861 16.769 -3.448 1.00 0.00 N ATOM 963 CA ALA A 60 13.677 18.150 -3.963 1.00 0.00 C ATOM 964 C ALA A 60 12.229 18.508 -4.440 1.00 0.00 C ATOM 965 O ALA A 60 11.866 19.686 -4.416 1.00 0.00 O ATOM 966 CB ALA A 60 14.704 18.367 -5.085 1.00 0.00 C ATOM 0 H ALA A 60 13.627 16.043 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 60 13.838 18.830 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.596 19.374 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.711 18.241 -4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.535 17.640 -5.879 1.00 0.00 H new ATOM 972 N ALA A 61 11.408 17.529 -4.849 1.00 0.00 N ATOM 973 CA ALA A 61 10.011 17.760 -5.269 1.00 0.00 C ATOM 974 C ALA A 61 8.961 18.140 -4.192 1.00 0.00 C ATOM 975 O ALA A 61 7.960 18.755 -4.562 1.00 0.00 O ATOM 976 CB ALA A 61 9.587 16.492 -6.017 1.00 0.00 C ATOM 0 H ALA A 61 11.692 16.551 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 61 10.020 18.668 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.557 16.597 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.239 16.342 -6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.663 15.633 -5.350 1.00 0.00 H new ATOM 982 N TYR A 62 9.189 17.829 -2.904 1.00 0.00 N ATOM 983 CA TYR A 62 8.296 18.243 -1.780 1.00 0.00 C ATOM 984 C TYR A 62 7.844 19.737 -1.760 1.00 0.00 C ATOM 985 O TYR A 62 6.655 19.986 -1.572 1.00 0.00 O ATOM 986 CB TYR A 62 8.964 17.849 -0.438 1.00 0.00 C ATOM 987 CG TYR A 62 8.065 17.873 0.814 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.925 17.057 0.896 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.391 18.679 1.915 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.121 17.063 2.037 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.585 18.685 3.056 1.00 0.00 C ATOM 992 CZ TYR A 62 6.449 17.883 3.115 1.00 0.00 C ATOM 993 OH TYR A 62 5.639 17.950 4.211 1.00 0.00 O ATOM 0 H TYR A 62 9.996 17.283 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 62 7.362 17.705 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.374 16.845 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.805 18.520 -0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.667 16.417 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.273 19.301 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.245 16.433 2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.844 19.314 3.895 1.00 0.00 H new ATOM 0 HH TYR A 62 4.723 17.715 3.955 1.00 0.00 H new ATOM 1003 N THR A 63 8.749 20.696 -2.011 1.00 0.00 N ATOM 1004 CA THR A 63 8.367 22.126 -2.194 1.00 0.00 C ATOM 1005 C THR A 63 7.417 22.475 -3.384 1.00 0.00 C ATOM 1006 O THR A 63 6.603 23.389 -3.240 1.00 0.00 O ATOM 1007 CB THR A 63 9.637 23.019 -2.159 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.260 24.393 -2.085 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.628 22.872 -3.309 1.00 0.00 C ATOM 0 H THR A 63 9.750 20.519 -2.094 1.00 0.00 H new ATOM 0 HA THR A 63 7.724 22.348 -1.342 1.00 0.00 H new ATOM 0 HB THR A 63 10.165 22.663 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.064 24.952 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.465 23.553 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.996 21.847 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.132 23.111 -4.250 1.00 0.00 H new ATOM 1017 N ALA A 64 7.509 21.769 -4.521 1.00 0.00 N ATOM 1018 CA ALA A 64 6.479 21.853 -5.591 1.00 0.00 C ATOM 1019 C ALA A 64 5.192 21.005 -5.329 1.00 0.00 C ATOM 1020 O ALA A 64 4.081 21.479 -5.583 1.00 0.00 O ATOM 1021 CB ALA A 64 7.168 21.451 -6.901 1.00 0.00 C ATOM 0 H ALA A 64 8.279 21.134 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 64 6.101 22.875 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.449 21.497 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.993 22.135 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.552 20.435 -6.813 1.00 0.00 H new ATOM 1027 N TRP A 65 5.347 19.778 -4.807 1.00 0.00 N ATOM 1028 CA TRP A 65 4.229 18.919 -4.354 1.00 0.00 C ATOM 1029 C TRP A 65 3.305 19.513 -3.242 1.00 0.00 C ATOM 1030 O TRP A 65 2.085 19.403 -3.360 1.00 0.00 O ATOM 1031 CB TRP A 65 4.842 17.552 -3.934 1.00 0.00 C ATOM 1032 CG TRP A 65 3.993 16.361 -4.448 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.243 15.606 -5.621 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.799 15.856 -3.934 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.223 14.680 -5.873 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.336 14.856 -4.826 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.051 16.162 -2.751 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.131 14.162 -4.541 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.890 15.445 -2.490 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.434 14.452 -3.374 1.00 0.00 C ATOM 0 H TRP A 65 6.262 19.344 -4.684 1.00 0.00 H new ATOM 0 HA TRP A 65 3.538 18.818 -5.191 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.856 17.472 -4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.915 17.504 -2.848 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.115 15.730 -6.246 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.151 14.025 -6.651 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.383 16.936 -2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.759 13.414 -5.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.328 15.654 -1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.470 13.907 -3.143 1.00 0.00 H new ATOM 1051 N LYS A 66 3.880 20.154 -2.216 1.00 0.00 N ATOM 1052 CA LYS A 66 3.124 20.900 -1.176 1.00 0.00 C ATOM 1053 C LYS A 66 2.276 22.119 -1.665 1.00 0.00 C ATOM 1054 O LYS A 66 1.198 22.351 -1.113 1.00 0.00 O ATOM 1055 CB LYS A 66 4.130 21.354 -0.082 1.00 0.00 C ATOM 1056 CG LYS A 66 4.619 20.225 0.848 1.00 0.00 C ATOM 1057 CD LYS A 66 3.607 19.803 1.921 1.00 0.00 C ATOM 1058 CE LYS A 66 3.510 20.788 3.096 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.404 20.348 3.980 1.00 0.00 N ATOM 0 H LYS A 66 4.890 20.175 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 66 2.375 20.204 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.994 21.807 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.662 22.129 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.871 19.355 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.537 20.548 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.624 19.701 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.884 18.820 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.450 20.815 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.326 21.798 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.407 20.919 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.496 20.471 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.532 19.345 4.224 1.00 0.00 H new ATOM 1073 N ALA A 67 2.729 22.856 -2.693 1.00 0.00 N ATOM 1074 CA ALA A 67 1.856 23.792 -3.441 1.00 0.00 C ATOM 1075 C ALA A 67 0.703 23.137 -4.266 1.00 0.00 C ATOM 1076 O ALA A 67 -0.397 23.692 -4.275 1.00 0.00 O ATOM 1077 CB ALA A 67 2.770 24.657 -4.320 1.00 0.00 C ATOM 0 H ALA A 67 3.692 22.826 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 67 1.310 24.389 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.165 25.363 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.469 25.205 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.325 24.018 -5.007 1.00 0.00 H new ATOM 1083 N LYS A 68 0.914 21.977 -4.919 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.184 21.243 -5.607 1.00 0.00 C ATOM 1085 C LYS A 68 -1.206 20.531 -4.656 1.00 0.00 C ATOM 1086 O LYS A 68 -2.407 20.610 -4.925 1.00 0.00 O ATOM 1087 CB LYS A 68 0.429 20.212 -6.591 1.00 0.00 C ATOM 1088 CG LYS A 68 1.209 20.841 -7.770 1.00 0.00 C ATOM 1089 CD LYS A 68 2.382 19.943 -8.195 1.00 0.00 C ATOM 1090 CE LYS A 68 3.139 20.521 -9.398 1.00 0.00 C ATOM 1091 NZ LYS A 68 4.195 19.569 -9.828 1.00 0.00 N ATOM 0 H LYS A 68 1.826 21.525 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.765 22.000 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.099 19.554 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.371 19.589 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.538 20.993 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.584 21.823 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.069 19.823 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.007 18.950 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.448 20.708 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.586 21.479 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.908 20.073 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.648 19.152 -8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.769 18.815 -10.403 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.754 19.820 -3.612 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.648 19.102 -2.663 1.00 0.00 C ATOM 1107 C HIS A 69 -1.201 19.333 -1.169 1.00 0.00 C ATOM 1108 O HIS A 69 0.004 19.416 -0.918 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.679 17.601 -3.040 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.012 17.092 -3.620 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.609 15.932 -3.159 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.831 17.660 -4.635 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.759 15.904 -3.894 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.986 16.910 -4.792 1.00 0.00 N ATOM 0 H HIS A 69 0.237 19.721 -3.394 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.659 19.501 -2.741 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.890 17.410 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.442 17.016 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.588 18.547 -5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.474 15.104 -3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.785 17.065 -5.407 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.110 19.424 -0.158 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.804 20.126 1.142 1.00 0.00 C ATOM 1125 C PRO A 70 -0.778 19.451 2.067 1.00 0.00 C ATOM 1126 O PRO A 70 0.327 19.975 2.217 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.213 20.373 1.740 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.090 19.252 1.133 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.552 19.139 -0.304 1.00 0.00 C ATOM 0 HA PRO A 70 -1.251 21.052 0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.198 20.320 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.590 21.361 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.984 18.315 1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.148 19.513 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.724 18.146 -0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.036 19.852 -0.971 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.085 18.297 2.664 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.046 17.306 3.050 1.00 0.00 C ATOM 1139 C ASP A 71 -0.569 15.878 2.720 1.00 0.00 C ATOM 1140 O ASP A 71 -0.777 15.048 3.610 1.00 0.00 O ATOM 1141 CB ASP A 71 0.315 17.534 4.531 1.00 0.00 C ATOM 1142 CG ASP A 71 1.694 17.004 4.908 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.687 17.416 4.259 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.810 16.214 5.863 1.00 0.00 O ATOM 0 H ASP A 71 -2.038 18.015 2.895 1.00 0.00 H new ATOM 0 HA ASP A 71 0.879 17.425 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.273 18.602 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.435 17.052 5.158 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.823 15.603 1.423 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.340 14.277 0.996 1.00 0.00 C ATOM 1151 C GLU A 72 -0.232 13.172 0.987 1.00 0.00 C ATOM 1152 O GLU A 72 -0.426 12.133 1.609 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.088 14.368 -0.361 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.206 13.312 -0.490 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.481 12.798 -1.887 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.650 12.035 -2.422 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.550 13.098 -2.459 1.00 0.00 O ATOM 0 H GLU A 72 -0.683 16.267 0.661 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.067 13.967 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.518 15.364 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.375 14.239 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.950 12.463 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.128 13.739 -0.094 1.00 0.00 H new ATOM 1164 N LYS A 73 0.899 13.407 0.298 1.00 0.00 N ATOM 1165 CA LYS A 73 2.100 12.536 0.368 1.00 0.00 C ATOM 1166 C LYS A 73 2.785 12.553 1.769 1.00 0.00 C ATOM 1167 O LYS A 73 2.917 13.616 2.386 1.00 0.00 O ATOM 1168 CB LYS A 73 3.076 13.055 -0.732 1.00 0.00 C ATOM 1169 CG LYS A 73 4.244 12.102 -1.012 1.00 0.00 C ATOM 1170 CD LYS A 73 5.432 12.710 -1.753 1.00 0.00 C ATOM 1171 CE LYS A 73 6.468 13.467 -0.906 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.299 12.555 -0.064 1.00 0.00 N ATOM 0 H LYS A 73 1.012 14.206 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 73 1.814 11.497 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.519 13.215 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.473 14.023 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.598 11.702 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.870 11.259 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.947 11.909 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.046 13.395 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.119 14.042 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.954 14.181 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.086 13.090 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.712 12.152 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.678 11.787 -0.654 1.00 0.00 H new ATOM 1186 N PHE A 74 3.275 11.392 2.231 1.00 0.00 N ATOM 1187 CA PHE A 74 4.064 11.322 3.488 1.00 0.00 C ATOM 1188 C PHE A 74 5.472 12.011 3.355 1.00 0.00 C ATOM 1189 O PHE A 74 6.139 11.773 2.336 1.00 0.00 O ATOM 1190 CB PHE A 74 4.206 9.821 3.869 1.00 0.00 C ATOM 1191 CG PHE A 74 4.619 9.609 5.333 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.665 9.728 6.357 1.00 0.00 C ATOM 1193 CD2 PHE A 74 5.960 9.381 5.683 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.045 9.643 7.697 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.339 9.291 7.024 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.381 9.425 8.028 1.00 0.00 C ATOM 0 H PHE A 74 3.145 10.494 1.765 1.00 0.00 H new ATOM 0 HA PHE A 74 3.543 11.871 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.258 9.315 3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.945 9.355 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.627 9.887 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.705 9.274 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.305 9.746 8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.373 9.118 7.283 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.675 9.360 9.065 1.00 0.00 H new ATOM 1206 N PRO A 75 5.977 12.818 4.329 1.00 0.00 N ATOM 1207 CA PRO A 75 7.322 13.480 4.221 1.00 0.00 C ATOM 1208 C PRO A 75 8.539 12.539 4.418 1.00 0.00 C ATOM 1209 O PRO A 75 9.252 12.562 5.425 1.00 0.00 O ATOM 1210 CB PRO A 75 7.209 14.608 5.281 1.00 0.00 C ATOM 1211 CG PRO A 75 6.244 14.041 6.346 1.00 0.00 C ATOM 1212 CD PRO A 75 5.212 13.264 5.516 1.00 0.00 C ATOM 0 HA PRO A 75 7.531 13.845 3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.181 14.846 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.821 15.527 4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.762 13.392 7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.776 14.835 6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.807 12.418 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.368 13.894 5.235 1.00 0.00 H new ATOM 1220 N ALA A 76 8.778 11.728 3.381 1.00 0.00 N ATOM 1221 CA ALA A 76 9.892 10.765 3.345 1.00 0.00 C ATOM 1222 C ALA A 76 11.197 11.382 2.762 1.00 0.00 C ATOM 1223 O ALA A 76 11.206 11.986 1.683 1.00 0.00 O ATOM 1224 CB ALA A 76 9.398 9.590 2.489 1.00 0.00 C ATOM 0 H ALA A 76 8.204 11.719 2.538 1.00 0.00 H new ATOM 0 HA ALA A 76 10.158 10.449 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.181 8.835 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.511 9.153 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.150 9.947 1.489 1.00 0.00 H new ATOM 1230 N PHE A 77 12.293 11.194 3.497 1.00 0.00 N ATOM 1231 CA PHE A 77 13.669 11.523 3.039 1.00 0.00 C ATOM 1232 C PHE A 77 14.444 10.270 2.483 1.00 0.00 C ATOM 1233 O PHE A 77 14.069 9.139 2.825 1.00 0.00 O ATOM 1234 CB PHE A 77 14.411 12.222 4.218 1.00 0.00 C ATOM 1235 CG PHE A 77 14.888 11.331 5.381 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.011 10.966 6.415 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.201 10.827 5.402 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.432 10.108 7.434 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.618 9.966 6.418 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.732 9.606 7.430 1.00 0.00 C ATOM 0 H PHE A 77 12.264 10.805 4.440 1.00 0.00 H new ATOM 0 HA PHE A 77 13.618 12.203 2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.280 12.738 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.749 12.985 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.002 11.352 6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.894 11.109 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.750 9.834 8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.626 9.579 6.419 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.053 8.936 8.214 1.00 0.00 H new ATOM 1250 N PRO A 78 15.540 10.390 1.685 1.00 0.00 N ATOM 1251 CA PRO A 78 16.334 9.200 1.227 1.00 0.00 C ATOM 1252 C PRO A 78 17.315 8.655 2.304 1.00 0.00 C ATOM 1253 O PRO A 78 18.460 9.102 2.421 1.00 0.00 O ATOM 1254 CB PRO A 78 17.018 9.764 -0.046 1.00 0.00 C ATOM 1255 CG PRO A 78 17.242 11.260 0.272 1.00 0.00 C ATOM 1256 CD PRO A 78 15.990 11.659 1.076 1.00 0.00 C ATOM 0 HA PRO A 78 15.734 8.311 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.960 9.255 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.389 9.634 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.154 11.414 0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.338 11.852 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.224 12.406 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.222 12.088 0.433 1.00 0.00 H new ATOM 1264 N GLY A 79 16.833 7.669 3.079 1.00 0.00 N ATOM 1265 CA GLY A 79 17.606 7.058 4.178 1.00 0.00 C ATOM 1266 C GLY A 79 17.949 5.598 3.905 1.00 0.00 C ATOM 1267 O GLY A 79 17.805 4.713 4.749 1.00 0.00 O ATOM 0 H GLY A 79 15.900 7.273 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.526 7.623 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.034 7.127 5.103 1.00 0.00 H new TER 1271 GLY A 79