USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 359 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 40 ASN : amide:sc= -3.06 K(o=-3.1,f=-3.8!) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0727 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -56:sc= 0.797 USER MOD Single : A 11 ASN : amide:sc= 0.295 K(o=0.3,f=-7.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00328) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.261) USER MOD Single : A 34 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.6!) USER MOD Single : A 41 TYR OH : rot 72:sc= 1.01 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.386 3.602 -13.500 1.00 0.00 N ATOM 2 CA GLY A 1 16.636 3.270 -12.302 1.00 0.00 C ATOM 3 C GLY A 1 15.707 2.089 -12.509 1.00 0.00 C ATOM 4 O GLY A 1 15.325 1.781 -13.637 1.00 0.00 O ATOM 0 H1 GLY A 1 18.384 3.342 -13.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.997 3.078 -14.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.315 4.623 -13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.331 3.045 -11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.053 4.137 -11.990 1.00 0.00 H new ATOM 8 N SER A 2 15.346 1.426 -11.416 1.00 0.00 N ATOM 9 CA SER A 2 14.460 0.269 -11.482 1.00 0.00 C ATOM 10 C SER A 2 13.051 0.686 -11.894 1.00 0.00 C ATOM 11 O SER A 2 12.415 0.032 -12.721 1.00 0.00 O ATOM 12 CB SER A 2 14.418 -0.446 -10.131 1.00 0.00 C ATOM 13 OG SER A 2 15.604 -1.190 -9.910 1.00 0.00 O ATOM 0 H SER A 2 15.653 1.669 -10.474 1.00 0.00 H new ATOM 0 HA SER A 2 14.852 -0.415 -12.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.290 0.285 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.556 -1.112 -10.095 1.00 0.00 H new ATOM 0 HG SER A 2 15.553 -1.636 -9.039 1.00 0.00 H new ATOM 19 N SER A 3 12.571 1.779 -11.312 1.00 0.00 N ATOM 20 CA SER A 3 11.236 2.282 -11.614 1.00 0.00 C ATOM 21 C SER A 3 11.003 3.638 -10.952 1.00 0.00 C ATOM 22 O SER A 3 11.147 3.781 -9.739 1.00 0.00 O ATOM 23 CB SER A 3 10.173 1.286 -11.147 1.00 0.00 C ATOM 24 OG SER A 3 8.899 1.614 -11.672 1.00 0.00 O ATOM 0 H SER A 3 13.086 2.334 -10.628 1.00 0.00 H new ATOM 0 HA SER A 3 11.158 2.405 -12.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.451 0.280 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.130 1.280 -10.058 1.00 0.00 H new ATOM 0 HG SER A 3 8.238 0.961 -11.360 1.00 0.00 H new ATOM 30 N GLY A 4 10.643 4.630 -11.761 1.00 0.00 N ATOM 31 CA GLY A 4 10.395 5.961 -11.236 1.00 0.00 C ATOM 32 C GLY A 4 9.308 5.975 -10.181 1.00 0.00 C ATOM 33 O GLY A 4 8.212 5.462 -10.402 1.00 0.00 O ATOM 0 H GLY A 4 10.519 4.536 -12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.316 6.357 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.112 6.624 -12.054 1.00 0.00 H new ATOM 37 N SER A 5 9.613 6.565 -9.028 1.00 0.00 N ATOM 38 CA SER A 5 8.655 6.640 -7.932 1.00 0.00 C ATOM 39 C SER A 5 8.196 8.077 -7.708 1.00 0.00 C ATOM 40 O SER A 5 8.673 8.759 -6.801 1.00 0.00 O ATOM 41 CB SER A 5 9.272 6.085 -6.648 1.00 0.00 C ATOM 42 OG SER A 5 9.257 4.667 -6.646 1.00 0.00 O ATOM 0 H SER A 5 10.515 6.997 -8.830 1.00 0.00 H new ATOM 0 HA SER A 5 7.787 6.037 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.298 6.441 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.721 6.459 -5.785 1.00 0.00 H new ATOM 0 HG SER A 5 9.658 4.337 -5.815 1.00 0.00 H new ATOM 48 N SER A 6 7.268 8.533 -8.543 1.00 0.00 N ATOM 49 CA SER A 6 6.747 9.891 -8.440 1.00 0.00 C ATOM 50 C SER A 6 5.594 9.957 -7.442 1.00 0.00 C ATOM 51 O SER A 6 4.586 10.619 -7.684 1.00 0.00 O ATOM 52 CB SER A 6 6.279 10.386 -9.811 1.00 0.00 C ATOM 53 OG SER A 6 5.823 11.726 -9.741 1.00 0.00 O ATOM 0 H SER A 6 6.861 7.982 -9.299 1.00 0.00 H new ATOM 0 HA SER A 6 7.550 10.536 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.098 10.314 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.478 9.745 -10.179 1.00 0.00 H new ATOM 0 HG SER A 6 5.118 11.797 -9.064 1.00 0.00 H new ATOM 59 N GLY A 7 5.752 9.263 -6.319 1.00 0.00 N ATOM 60 CA GLY A 7 4.718 9.255 -5.301 1.00 0.00 C ATOM 61 C GLY A 7 3.511 8.433 -5.707 1.00 0.00 C ATOM 62 O GLY A 7 2.383 8.744 -5.325 1.00 0.00 O ATOM 0 H GLY A 7 6.577 8.706 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.129 8.857 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.405 10.279 -5.098 1.00 0.00 H new ATOM 66 N TRP A 8 3.747 7.383 -6.485 1.00 0.00 N ATOM 67 CA TRP A 8 2.669 6.516 -6.945 1.00 0.00 C ATOM 68 C TRP A 8 3.038 5.047 -6.766 1.00 0.00 C ATOM 69 O TRP A 8 3.098 4.288 -7.734 1.00 0.00 O ATOM 70 CB TRP A 8 2.350 6.798 -8.414 1.00 0.00 C ATOM 71 CG TRP A 8 1.751 8.153 -8.642 1.00 0.00 C ATOM 72 CD1 TRP A 8 2.402 9.276 -9.066 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.381 8.526 -8.457 1.00 0.00 C ATOM 74 NE1 TRP A 8 1.519 10.326 -9.154 1.00 0.00 N ATOM 75 CE2 TRP A 8 0.273 9.892 -8.787 1.00 0.00 C ATOM 76 CE3 TRP A 8 -0.765 7.841 -8.045 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.935 10.580 -8.717 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -1.963 8.526 -7.976 1.00 0.00 C ATOM 79 CH2 TRP A 8 -2.041 9.884 -8.310 1.00 0.00 C ATOM 0 H TRP A 8 4.675 7.112 -6.810 1.00 0.00 H new ATOM 0 HA TRP A 8 1.786 6.726 -6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.265 6.710 -9.000 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.661 6.037 -8.781 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.455 9.331 -9.298 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.754 11.275 -9.445 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.715 6.794 -7.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.997 11.627 -8.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.855 8.005 -7.659 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.992 10.392 -8.245 1.00 0.00 H new ATOM 90 N THR A 9 3.285 4.651 -5.521 1.00 0.00 N ATOM 91 CA THR A 9 3.649 3.273 -5.215 1.00 0.00 C ATOM 92 C THR A 9 3.306 2.921 -3.773 1.00 0.00 C ATOM 93 O THR A 9 2.940 3.790 -2.981 1.00 0.00 O ATOM 94 CB THR A 9 5.152 3.024 -5.449 1.00 0.00 C ATOM 95 OG1 THR A 9 5.926 3.974 -4.710 1.00 0.00 O ATOM 96 CG2 THR A 9 5.493 3.125 -6.928 1.00 0.00 C ATOM 0 H THR A 9 3.240 5.265 -4.708 1.00 0.00 H new ATOM 0 HA THR A 9 3.073 2.637 -5.888 1.00 0.00 H new ATOM 0 HB THR A 9 5.389 2.017 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.880 3.808 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.559 2.946 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.923 2.381 -7.484 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.242 4.121 -7.292 1.00 0.00 H new ATOM 104 N CYS A 10 3.426 1.641 -3.436 1.00 0.00 N ATOM 105 CA CYS A 10 3.130 1.173 -2.088 1.00 0.00 C ATOM 106 C CYS A 10 4.207 0.210 -1.596 1.00 0.00 C ATOM 107 O CYS A 10 4.602 -0.711 -2.310 1.00 0.00 O ATOM 108 CB CYS A 10 1.763 0.487 -2.053 1.00 0.00 C ATOM 109 SG CYS A 10 0.361 1.605 -2.375 1.00 0.00 S ATOM 0 H CYS A 10 3.727 0.909 -4.079 1.00 0.00 H new ATOM 0 HA CYS A 10 3.113 2.039 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.752 -0.314 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.626 0.022 -1.076 1.00 0.00 H new ATOM 114 N ASN A 11 4.677 0.431 -0.373 1.00 0.00 N ATOM 115 CA ASN A 11 5.708 -0.416 0.214 1.00 0.00 C ATOM 116 C ASN A 11 5.087 -1.514 1.073 1.00 0.00 C ATOM 117 O ASN A 11 3.923 -1.427 1.465 1.00 0.00 O ATOM 118 CB ASN A 11 6.668 0.424 1.058 1.00 0.00 C ATOM 119 CG ASN A 11 8.047 -0.202 1.160 1.00 0.00 C ATOM 120 OD1 ASN A 11 8.216 -1.399 0.930 1.00 0.00 O ATOM 121 ND2 ASN A 11 9.039 0.610 1.508 1.00 0.00 N ATOM 0 H ASN A 11 4.360 1.190 0.231 1.00 0.00 H new ATOM 0 HA ASN A 11 6.263 -0.885 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.755 1.419 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.254 0.549 2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.988 0.247 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.851 1.596 1.689 1.00 0.00 H new ATOM 128 N LYS A 12 5.871 -2.546 1.362 1.00 0.00 N ATOM 129 CA LYS A 12 5.401 -3.662 2.174 1.00 0.00 C ATOM 130 C LYS A 12 4.546 -3.165 3.337 1.00 0.00 C ATOM 131 O LYS A 12 3.371 -3.513 3.449 1.00 0.00 O ATOM 132 CB LYS A 12 6.587 -4.467 2.708 1.00 0.00 C ATOM 133 CG LYS A 12 7.152 -5.456 1.704 1.00 0.00 C ATOM 134 CD LYS A 12 8.098 -4.779 0.726 1.00 0.00 C ATOM 135 CE LYS A 12 9.164 -5.741 0.224 1.00 0.00 C ATOM 136 NZ LYS A 12 8.584 -6.822 -0.619 1.00 0.00 N ATOM 0 H LYS A 12 6.837 -2.633 1.045 1.00 0.00 H new ATOM 0 HA LYS A 12 4.788 -4.306 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.376 -3.778 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.276 -5.007 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.680 -6.250 2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.335 -5.926 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.531 -4.389 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.575 -3.927 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.907 -5.190 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.683 -6.183 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.343 -7.456 -0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.893 -7.364 -0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.110 -6.402 -1.444 1.00 0.00 H new ATOM 150 N PHE A 13 5.144 -2.349 4.198 1.00 0.00 N ATOM 151 CA PHE A 13 4.437 -1.803 5.351 1.00 0.00 C ATOM 152 C PHE A 13 3.194 -1.035 4.913 1.00 0.00 C ATOM 153 O PHE A 13 2.103 -1.245 5.444 1.00 0.00 O ATOM 154 CB PHE A 13 5.361 -0.885 6.155 1.00 0.00 C ATOM 155 CG PHE A 13 6.614 -1.563 6.631 1.00 0.00 C ATOM 156 CD1 PHE A 13 6.581 -2.435 7.707 1.00 0.00 C ATOM 157 CD2 PHE A 13 7.826 -1.329 6.001 1.00 0.00 C ATOM 158 CE1 PHE A 13 7.732 -3.059 8.147 1.00 0.00 C ATOM 159 CE2 PHE A 13 8.981 -1.951 6.436 1.00 0.00 C ATOM 160 CZ PHE A 13 8.934 -2.818 7.510 1.00 0.00 C ATOM 0 H PHE A 13 6.116 -2.051 4.120 1.00 0.00 H new ATOM 0 HA PHE A 13 4.125 -2.635 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.633 -0.027 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.816 -0.499 7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.644 -2.629 8.208 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.868 -0.653 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.692 -3.735 8.988 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.919 -1.759 5.937 1.00 0.00 H new ATOM 0 HZ PHE A 13 9.835 -3.306 7.851 1.00 0.00 H new ATOM 170 N ARG A 14 3.367 -0.144 3.943 1.00 0.00 N ATOM 171 CA ARG A 14 2.260 0.657 3.435 1.00 0.00 C ATOM 172 C ARG A 14 1.040 -0.217 3.156 1.00 0.00 C ATOM 173 O ARG A 14 -0.060 0.063 3.634 1.00 0.00 O ATOM 174 CB ARG A 14 2.677 1.391 2.159 1.00 0.00 C ATOM 175 CG ARG A 14 3.787 2.407 2.377 1.00 0.00 C ATOM 176 CD ARG A 14 3.239 3.729 2.892 1.00 0.00 C ATOM 177 NE ARG A 14 4.045 4.864 2.453 1.00 0.00 N ATOM 178 CZ ARG A 14 4.094 6.025 3.097 1.00 0.00 C ATOM 179 NH1 ARG A 14 3.386 6.202 4.205 1.00 0.00 N ATOM 180 NH2 ARG A 14 4.851 7.011 2.634 1.00 0.00 N ATOM 0 H ARG A 14 4.263 0.042 3.493 1.00 0.00 H new ATOM 0 HA ARG A 14 1.995 1.390 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.005 0.660 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.808 1.899 1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.511 2.010 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.319 2.573 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.214 3.856 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.206 3.708 3.981 1.00 0.00 H new ATOM 0 HE ARG A 14 4.602 4.760 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.803 5.446 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.425 7.094 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.397 6.878 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.888 7.902 3.130 1.00 0.00 H new ATOM 194 N CYS A 15 1.242 -1.275 2.378 1.00 0.00 N ATOM 195 CA CYS A 15 0.159 -2.189 2.033 1.00 0.00 C ATOM 196 C CYS A 15 -0.619 -2.604 3.279 1.00 0.00 C ATOM 197 O CYS A 15 -0.293 -3.597 3.925 1.00 0.00 O ATOM 198 CB CYS A 15 0.716 -3.429 1.329 1.00 0.00 C ATOM 199 SG CYS A 15 1.151 -3.159 -0.419 1.00 0.00 S ATOM 0 H CYS A 15 2.146 -1.521 1.974 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.521 -1.670 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.602 -3.770 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.021 -4.230 1.389 1.00 0.00 H new ATOM 204 N GLY A 16 -1.651 -1.833 3.607 1.00 0.00 N ATOM 205 CA GLY A 16 -2.461 -2.136 4.774 1.00 0.00 C ATOM 206 C GLY A 16 -2.218 -1.170 5.915 1.00 0.00 C ATOM 207 O GLY A 16 -2.153 -1.574 7.076 1.00 0.00 O ATOM 0 H GLY A 16 -1.941 -1.005 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.515 -2.109 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.245 -3.151 5.109 1.00 0.00 H new ATOM 211 N GLU A 17 -2.082 0.111 5.586 1.00 0.00 N ATOM 212 CA GLU A 17 -1.842 1.137 6.593 1.00 0.00 C ATOM 213 C GLU A 17 -3.113 1.934 6.872 1.00 0.00 C ATOM 214 O GLU A 17 -3.945 2.128 5.986 1.00 0.00 O ATOM 215 CB GLU A 17 -0.725 2.080 6.138 1.00 0.00 C ATOM 216 CG GLU A 17 -1.082 2.894 4.906 1.00 0.00 C ATOM 217 CD GLU A 17 -0.127 4.050 4.674 1.00 0.00 C ATOM 218 OE1 GLU A 17 0.211 4.744 5.656 1.00 0.00 O ATOM 219 OE2 GLU A 17 0.281 4.260 3.513 1.00 0.00 O ATOM 0 H GLU A 17 -2.134 0.462 4.630 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.536 0.640 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.480 2.760 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.171 1.495 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.078 2.243 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.096 3.280 5.012 1.00 0.00 H new ATOM 226 N LYS A 18 -3.256 2.394 8.111 1.00 0.00 N ATOM 227 CA LYS A 18 -4.424 3.170 8.509 1.00 0.00 C ATOM 228 C LYS A 18 -4.071 4.647 8.660 1.00 0.00 C ATOM 229 O LYS A 18 -4.509 5.306 9.603 1.00 0.00 O ATOM 230 CB LYS A 18 -4.994 2.634 9.823 1.00 0.00 C ATOM 231 CG LYS A 18 -5.232 1.134 9.816 1.00 0.00 C ATOM 232 CD LYS A 18 -6.511 0.776 9.078 1.00 0.00 C ATOM 233 CE LYS A 18 -6.251 0.532 7.599 1.00 0.00 C ATOM 234 NZ LYS A 18 -7.431 0.886 6.763 1.00 0.00 N ATOM 0 H LYS A 18 -2.577 2.242 8.857 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.177 3.073 7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.309 2.881 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.935 3.142 10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.387 0.633 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.288 0.769 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.952 -0.116 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.236 1.581 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.390 1.120 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.997 -0.516 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.232 0.658 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.259 0.344 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.627 1.903 6.853 1.00 0.00 H new ATOM 248 N ARG A 19 -3.276 5.159 7.726 1.00 0.00 N ATOM 249 CA ARG A 19 -2.865 6.557 7.756 1.00 0.00 C ATOM 250 C ARG A 19 -2.269 6.978 6.415 1.00 0.00 C ATOM 251 O ARG A 19 -1.844 6.137 5.622 1.00 0.00 O ATOM 252 CB ARG A 19 -1.845 6.787 8.873 1.00 0.00 C ATOM 253 CG ARG A 19 -0.533 6.052 8.660 1.00 0.00 C ATOM 254 CD ARG A 19 0.182 5.794 9.977 1.00 0.00 C ATOM 255 NE ARG A 19 1.547 5.314 9.775 1.00 0.00 N ATOM 256 CZ ARG A 19 2.586 6.117 9.574 1.00 0.00 C ATOM 257 NH1 ARG A 19 2.418 7.432 9.550 1.00 0.00 N ATOM 258 NH2 ARG A 19 3.798 5.604 9.399 1.00 0.00 N ATOM 0 H ARG A 19 -2.904 4.627 6.940 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.749 7.165 7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.644 7.855 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.279 6.470 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.723 5.104 8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.111 6.638 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.204 6.713 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.378 5.060 10.556 1.00 0.00 H new ATOM 0 HE ARG A 19 1.711 4.307 9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.489 7.830 9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.218 8.046 9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.932 4.593 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.596 6.221 9.245 1.00 0.00 H new ATOM 272 N LEU A 20 -2.243 8.283 6.169 1.00 0.00 N ATOM 273 CA LEU A 20 -1.700 8.816 4.924 1.00 0.00 C ATOM 274 C LEU A 20 -1.332 10.288 5.077 1.00 0.00 C ATOM 275 O LEU A 20 -2.197 11.136 5.297 1.00 0.00 O ATOM 276 CB LEU A 20 -2.711 8.645 3.789 1.00 0.00 C ATOM 277 CG LEU A 20 -4.112 9.201 4.050 1.00 0.00 C ATOM 278 CD1 LEU A 20 -4.793 9.569 2.741 1.00 0.00 C ATOM 279 CD2 LEU A 20 -4.950 8.193 4.824 1.00 0.00 C ATOM 0 H LEU A 20 -2.591 8.992 6.815 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.795 8.258 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.311 9.127 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.799 7.582 3.565 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.017 10.104 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.788 9.963 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.203 10.326 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.876 8.682 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.943 8.605 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.037 7.272 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.471 7.979 5.779 1.00 0.00 H new ATOM 291 N THR A 21 -0.042 10.586 4.956 1.00 0.00 N ATOM 292 CA THR A 21 0.441 11.956 5.079 1.00 0.00 C ATOM 293 C THR A 21 0.363 12.689 3.745 1.00 0.00 C ATOM 294 O THR A 21 1.349 12.769 3.011 1.00 0.00 O ATOM 295 CB THR A 21 1.893 11.997 5.591 1.00 0.00 C ATOM 296 OG1 THR A 21 1.986 11.330 6.855 1.00 0.00 O ATOM 297 CG2 THR A 21 2.378 13.432 5.732 1.00 0.00 C ATOM 0 H THR A 21 0.687 9.897 4.773 1.00 0.00 H new ATOM 0 HA THR A 21 -0.205 12.454 5.802 1.00 0.00 H new ATOM 0 HB THR A 21 2.525 11.487 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.913 11.359 7.173 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.406 13.435 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.334 13.928 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.742 13.963 6.440 1.00 0.00 H new ATOM 305 N ARG A 22 -0.813 13.223 3.436 1.00 0.00 N ATOM 306 CA ARG A 22 -1.019 13.949 2.187 1.00 0.00 C ATOM 307 C ARG A 22 -0.572 13.112 0.992 1.00 0.00 C ATOM 308 O ARG A 22 0.031 13.628 0.051 1.00 0.00 O ATOM 309 CB ARG A 22 -0.253 15.273 2.211 1.00 0.00 C ATOM 310 CG ARG A 22 -0.818 16.286 3.193 1.00 0.00 C ATOM 311 CD ARG A 22 -0.102 17.623 3.088 1.00 0.00 C ATOM 312 NE ARG A 22 1.200 17.601 3.747 1.00 0.00 N ATOM 313 CZ ARG A 22 1.370 17.819 5.047 1.00 0.00 C ATOM 314 NH1 ARG A 22 0.326 18.074 5.821 1.00 0.00 N ATOM 315 NH2 ARG A 22 2.588 17.780 5.573 1.00 0.00 N ATOM 0 H ARG A 22 -1.639 13.167 4.033 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.085 14.155 2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.789 15.076 2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.261 15.706 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.882 16.426 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.725 15.901 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.028 17.883 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.721 18.401 3.534 1.00 0.00 H new ATOM 0 HE ARG A 22 2.025 17.408 3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.611 18.103 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.459 18.241 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.394 17.583 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.718 17.947 6.571 1.00 0.00 H new ATOM 329 N SER A 23 -0.873 11.818 1.036 1.00 0.00 N ATOM 330 CA SER A 23 -0.499 10.909 -0.041 1.00 0.00 C ATOM 331 C SER A 23 -1.416 11.089 -1.246 1.00 0.00 C ATOM 332 O SER A 23 -2.569 11.502 -1.108 1.00 0.00 O ATOM 333 CB SER A 23 -0.555 9.459 0.445 1.00 0.00 C ATOM 334 OG SER A 23 0.290 8.628 -0.332 1.00 0.00 O ATOM 0 H SER A 23 -1.375 11.376 1.806 1.00 0.00 H new ATOM 0 HA SER A 23 0.521 11.144 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.255 9.411 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.580 9.093 0.390 1.00 0.00 H new ATOM 0 HG SER A 23 0.238 7.707 -0.001 1.00 0.00 H new ATOM 340 N LEU A 24 -0.897 10.776 -2.428 1.00 0.00 N ATOM 341 CA LEU A 24 -1.668 10.903 -3.660 1.00 0.00 C ATOM 342 C LEU A 24 -2.728 9.810 -3.754 1.00 0.00 C ATOM 343 O LEU A 24 -3.888 10.081 -4.067 1.00 0.00 O ATOM 344 CB LEU A 24 -0.740 10.836 -4.875 1.00 0.00 C ATOM 345 CG LEU A 24 0.134 12.066 -5.121 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.276 11.729 -6.068 1.00 0.00 C ATOM 347 CD2 LEU A 24 -0.701 13.212 -5.676 1.00 0.00 C ATOM 0 H LEU A 24 0.054 10.432 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.170 11.870 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.089 9.969 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.349 10.664 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 24 0.560 12.381 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.887 12.617 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.890 10.941 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.870 11.388 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.062 14.079 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.156 12.907 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.483 13.471 -4.962 1.00 0.00 H new ATOM 359 N CYS A 25 -2.321 8.575 -3.481 1.00 0.00 N ATOM 360 CA CYS A 25 -3.236 7.440 -3.532 1.00 0.00 C ATOM 361 C CYS A 25 -3.367 6.785 -2.161 1.00 0.00 C ATOM 362 O CYS A 25 -2.813 7.269 -1.174 1.00 0.00 O ATOM 363 CB CYS A 25 -2.749 6.412 -4.556 1.00 0.00 C ATOM 364 SG CYS A 25 -0.951 6.124 -4.524 1.00 0.00 S ATOM 0 H CYS A 25 -1.364 8.334 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.216 7.809 -3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.261 5.466 -4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.035 6.745 -5.554 1.00 0.00 H new ATOM 369 N ALA A 26 -4.103 5.679 -2.107 1.00 0.00 N ATOM 370 CA ALA A 26 -4.305 4.956 -0.858 1.00 0.00 C ATOM 371 C ALA A 26 -3.599 3.605 -0.885 1.00 0.00 C ATOM 372 O ALA A 26 -3.806 2.802 -1.796 1.00 0.00 O ATOM 373 CB ALA A 26 -5.791 4.771 -0.590 1.00 0.00 C ATOM 0 H ALA A 26 -4.569 5.265 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.872 5.547 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.927 4.229 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.272 5.747 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.240 4.204 -1.406 1.00 0.00 H new ATOM 379 N CYS A 27 -2.761 3.360 0.117 1.00 0.00 N ATOM 380 CA CYS A 27 -2.021 2.107 0.208 1.00 0.00 C ATOM 381 C CYS A 27 -2.594 1.216 1.306 1.00 0.00 C ATOM 382 O CYS A 27 -1.851 0.577 2.052 1.00 0.00 O ATOM 383 CB CYS A 27 -0.541 2.383 0.479 1.00 0.00 C ATOM 384 SG CYS A 27 0.370 3.028 -0.960 1.00 0.00 S ATOM 0 H CYS A 27 -2.577 4.014 0.878 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.117 1.586 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.460 3.098 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.066 1.461 0.813 1.00 0.00 H new ATOM 389 N SER A 28 -3.919 1.179 1.400 1.00 0.00 N ATOM 390 CA SER A 28 -4.592 0.370 2.410 1.00 0.00 C ATOM 391 C SER A 28 -5.627 -0.550 1.768 1.00 0.00 C ATOM 392 O SER A 28 -5.818 -0.534 0.551 1.00 0.00 O ATOM 393 CB SER A 28 -5.267 1.268 3.448 1.00 0.00 C ATOM 394 OG SER A 28 -6.304 2.035 2.862 1.00 0.00 O ATOM 0 H SER A 28 -4.548 1.700 0.789 1.00 0.00 H new ATOM 0 HA SER A 28 -3.841 -0.245 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.674 0.656 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.527 1.932 3.895 1.00 0.00 H new ATOM 0 HG SER A 28 -6.721 2.599 3.547 1.00 0.00 H new ATOM 400 N ASP A 29 -6.290 -1.350 2.594 1.00 0.00 N ATOM 401 CA ASP A 29 -7.307 -2.277 2.109 1.00 0.00 C ATOM 402 C ASP A 29 -8.530 -1.522 1.599 1.00 0.00 C ATOM 403 O ASP A 29 -9.284 -2.032 0.768 1.00 0.00 O ATOM 404 CB ASP A 29 -7.716 -3.246 3.219 1.00 0.00 C ATOM 405 CG ASP A 29 -8.652 -4.331 2.724 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.267 -5.068 1.793 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.771 -4.443 3.269 1.00 0.00 O ATOM 0 H ASP A 29 -6.142 -1.376 3.603 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.881 -2.845 1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.823 -3.706 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.201 -2.691 4.022 1.00 0.00 H new ATOM 412 N ASP A 30 -8.723 -0.309 2.103 1.00 0.00 N ATOM 413 CA ASP A 30 -9.856 0.516 1.698 1.00 0.00 C ATOM 414 C ASP A 30 -9.540 1.284 0.418 1.00 0.00 C ATOM 415 O ASP A 30 -9.965 2.427 0.246 1.00 0.00 O ATOM 416 CB ASP A 30 -10.227 1.493 2.815 1.00 0.00 C ATOM 417 CG ASP A 30 -11.069 0.843 3.896 1.00 0.00 C ATOM 418 OD1 ASP A 30 -10.902 -0.373 4.128 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.893 1.551 4.511 1.00 0.00 O ATOM 0 H ASP A 30 -8.110 0.126 2.793 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.703 -0.143 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.317 1.895 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.773 2.336 2.391 1.00 0.00 H new ATOM 424 N CYS A 31 -8.790 0.649 -0.477 1.00 0.00 N ATOM 425 CA CYS A 31 -8.416 1.272 -1.741 1.00 0.00 C ATOM 426 C CYS A 31 -9.273 0.740 -2.884 1.00 0.00 C ATOM 427 O CYS A 31 -9.560 1.455 -3.845 1.00 0.00 O ATOM 428 CB CYS A 31 -6.936 1.020 -2.038 1.00 0.00 C ATOM 429 SG CYS A 31 -6.606 -0.559 -2.884 1.00 0.00 S ATOM 0 H CYS A 31 -8.429 -0.297 -0.350 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.585 2.345 -1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.556 1.836 -2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.380 1.041 -1.101 1.00 0.00 H new ATOM 434 N LYS A 32 -9.680 -0.521 -2.776 1.00 0.00 N ATOM 435 CA LYS A 32 -10.507 -1.150 -3.799 1.00 0.00 C ATOM 436 C LYS A 32 -11.931 -0.606 -3.759 1.00 0.00 C ATOM 437 O LYS A 32 -12.515 -0.292 -4.796 1.00 0.00 O ATOM 438 CB LYS A 32 -10.524 -2.668 -3.606 1.00 0.00 C ATOM 439 CG LYS A 32 -9.143 -3.299 -3.623 1.00 0.00 C ATOM 440 CD LYS A 32 -9.193 -4.761 -3.211 1.00 0.00 C ATOM 441 CE LYS A 32 -7.904 -5.486 -3.571 1.00 0.00 C ATOM 442 NZ LYS A 32 -6.898 -5.404 -2.476 1.00 0.00 N ATOM 0 H LYS A 32 -9.450 -1.128 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.076 -0.918 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.008 -2.900 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.130 -3.119 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.716 -3.216 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.484 -2.752 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.364 -4.832 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.035 -5.250 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.123 -6.532 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.487 -5.055 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.974 -5.726 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.820 -4.420 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.197 -6.009 -1.684 1.00 0.00 H new ATOM 456 N ASP A 33 -12.483 -0.493 -2.555 1.00 0.00 N ATOM 457 CA ASP A 33 -13.838 0.016 -2.380 1.00 0.00 C ATOM 458 C ASP A 33 -13.956 1.441 -2.911 1.00 0.00 C ATOM 459 O ASP A 33 -14.882 1.762 -3.655 1.00 0.00 O ATOM 460 CB ASP A 33 -14.235 -0.026 -0.904 1.00 0.00 C ATOM 461 CG ASP A 33 -13.980 -1.382 -0.274 1.00 0.00 C ATOM 462 OD1 ASP A 33 -12.835 -1.873 -0.364 1.00 0.00 O ATOM 463 OD2 ASP A 33 -14.927 -1.951 0.309 1.00 0.00 O ATOM 0 H ASP A 33 -12.013 -0.747 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.515 -0.622 -2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.677 0.735 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.292 0.223 -0.808 1.00 0.00 H new ATOM 468 N GLN A 34 -13.012 2.292 -2.522 1.00 0.00 N ATOM 469 CA GLN A 34 -13.011 3.683 -2.958 1.00 0.00 C ATOM 470 C GLN A 34 -12.509 3.804 -4.392 1.00 0.00 C ATOM 471 O GLN A 34 -13.097 4.512 -5.210 1.00 0.00 O ATOM 472 CB GLN A 34 -12.142 4.531 -2.027 1.00 0.00 C ATOM 473 CG GLN A 34 -12.905 5.121 -0.852 1.00 0.00 C ATOM 474 CD GLN A 34 -13.690 6.361 -1.230 1.00 0.00 C ATOM 475 OE1 GLN A 34 -13.588 6.857 -2.353 1.00 0.00 O ATOM 476 NE2 GLN A 34 -14.481 6.870 -0.292 1.00 0.00 N ATOM 0 H GLN A 34 -12.238 2.042 -1.906 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.037 4.050 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.325 3.918 -1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.692 5.341 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.588 4.371 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.203 5.369 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.535 6.427 0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.034 7.704 -0.489 1.00 0.00 H new ATOM 485 N GLY A 35 -11.416 3.108 -4.693 1.00 0.00 N ATOM 486 CA GLY A 35 -10.852 3.152 -6.029 1.00 0.00 C ATOM 487 C GLY A 35 -9.635 4.050 -6.116 1.00 0.00 C ATOM 488 O GLY A 35 -9.482 4.811 -7.072 1.00 0.00 O ATOM 0 H GLY A 35 -10.911 2.514 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.578 2.143 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.610 3.504 -6.728 1.00 0.00 H new ATOM 492 N ASP A 36 -8.765 3.963 -5.114 1.00 0.00 N ATOM 493 CA ASP A 36 -7.554 4.775 -5.081 1.00 0.00 C ATOM 494 C ASP A 36 -6.325 3.907 -4.833 1.00 0.00 C ATOM 495 O ASP A 36 -5.386 4.321 -4.153 1.00 0.00 O ATOM 496 CB ASP A 36 -7.664 5.847 -3.995 1.00 0.00 C ATOM 497 CG ASP A 36 -6.881 7.101 -4.338 1.00 0.00 C ATOM 498 OD1 ASP A 36 -6.784 7.428 -5.539 1.00 0.00 O ATOM 499 OD2 ASP A 36 -6.365 7.752 -3.405 1.00 0.00 O ATOM 0 H ASP A 36 -8.876 3.339 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.444 5.260 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.713 6.106 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.301 5.442 -3.051 1.00 0.00 H new ATOM 504 N CYS A 37 -6.338 2.700 -5.390 1.00 0.00 N ATOM 505 CA CYS A 37 -5.226 1.771 -5.229 1.00 0.00 C ATOM 506 C CYS A 37 -4.038 2.192 -6.090 1.00 0.00 C ATOM 507 O CYS A 37 -4.085 2.104 -7.317 1.00 0.00 O ATOM 508 CB CYS A 37 -5.661 0.353 -5.599 1.00 0.00 C ATOM 509 SG CYS A 37 -7.215 -0.178 -4.810 1.00 0.00 S ATOM 0 H CYS A 37 -7.107 2.343 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.919 1.788 -4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.776 0.290 -6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.869 -0.343 -5.322 1.00 0.00 H new ATOM 514 N CYS A 38 -2.973 2.647 -5.438 1.00 0.00 N ATOM 515 CA CYS A 38 -1.772 3.082 -6.142 1.00 0.00 C ATOM 516 C CYS A 38 -1.455 2.145 -7.304 1.00 0.00 C ATOM 517 O CYS A 38 -1.640 0.932 -7.205 1.00 0.00 O ATOM 518 CB CYS A 38 -0.585 3.138 -5.179 1.00 0.00 C ATOM 519 SG CYS A 38 -0.851 4.213 -3.733 1.00 0.00 S ATOM 0 H CYS A 38 -2.917 2.724 -4.422 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.955 4.080 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.364 2.128 -4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.293 3.488 -5.722 1.00 0.00 H new ATOM 524 N ILE A 39 -0.977 2.718 -8.403 1.00 0.00 N ATOM 525 CA ILE A 39 -0.634 1.935 -9.584 1.00 0.00 C ATOM 526 C ILE A 39 0.147 0.681 -9.204 1.00 0.00 C ATOM 527 O ILE A 39 -0.004 -0.368 -9.826 1.00 0.00 O ATOM 528 CB ILE A 39 0.198 2.760 -10.584 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.470 1.945 -11.850 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.504 3.207 -9.945 1.00 0.00 C ATOM 531 CD1 ILE A 39 -0.761 1.720 -12.699 1.00 0.00 C ATOM 0 H ILE A 39 -0.818 3.721 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.574 1.647 -10.056 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.371 3.648 -10.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.225 2.457 -12.447 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.888 0.979 -11.568 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.081 3.789 -10.664 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.290 3.821 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.079 2.332 -9.642 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.494 1.136 -13.579 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.510 1.181 -12.119 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.168 2.682 -13.012 1.00 0.00 H new ATOM 543 N ASN A 40 0.981 0.799 -8.175 1.00 0.00 N ATOM 544 CA ASN A 40 1.785 -0.326 -7.711 1.00 0.00 C ATOM 545 C ASN A 40 1.249 -0.867 -6.389 1.00 0.00 C ATOM 546 O ASN A 40 2.017 -1.186 -5.481 1.00 0.00 O ATOM 547 CB ASN A 40 3.246 0.099 -7.547 1.00 0.00 C ATOM 548 CG ASN A 40 4.207 -1.062 -7.711 1.00 0.00 C ATOM 549 OD1 ASN A 40 4.034 -1.906 -8.590 1.00 0.00 O ATOM 550 ND2 ASN A 40 5.227 -1.111 -6.861 1.00 0.00 N ATOM 0 H ASN A 40 1.117 1.661 -7.647 1.00 0.00 H new ATOM 0 HA ASN A 40 1.726 -1.117 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.482 0.869 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.384 0.545 -6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.906 -1.870 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.331 -0.390 -6.148 1.00 0.00 H new ATOM 557 N TYR A 41 -0.071 -0.968 -6.290 1.00 0.00 N ATOM 558 CA TYR A 41 -0.711 -1.470 -5.079 1.00 0.00 C ATOM 559 C TYR A 41 -0.896 -2.983 -5.148 1.00 0.00 C ATOM 560 O TYR A 41 -0.552 -3.705 -4.212 1.00 0.00 O ATOM 561 CB TYR A 41 -2.063 -0.787 -4.870 1.00 0.00 C ATOM 562 CG TYR A 41 -2.821 -1.299 -3.666 1.00 0.00 C ATOM 563 CD1 TYR A 41 -2.636 -0.730 -2.412 1.00 0.00 C ATOM 564 CD2 TYR A 41 -3.720 -2.352 -3.782 1.00 0.00 C ATOM 565 CE1 TYR A 41 -3.325 -1.195 -1.308 1.00 0.00 C ATOM 566 CE2 TYR A 41 -4.415 -2.822 -2.684 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.213 -2.240 -1.450 1.00 0.00 C ATOM 568 OH TYR A 41 -4.903 -2.706 -0.353 1.00 0.00 O ATOM 0 H TYR A 41 -0.720 -0.709 -7.033 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.062 -1.240 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.905 0.286 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.674 -0.930 -5.761 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.942 0.090 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.878 -2.811 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.169 -0.743 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.112 -3.640 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.578 -2.047 -0.087 1.00 0.00 H new ATOM 578 N SER A 42 -1.443 -3.455 -6.263 1.00 0.00 N ATOM 579 CA SER A 42 -1.678 -4.881 -6.455 1.00 0.00 C ATOM 580 C SER A 42 -0.363 -5.625 -6.666 1.00 0.00 C ATOM 581 O SER A 42 -0.220 -6.780 -6.265 1.00 0.00 O ATOM 582 CB SER A 42 -2.605 -5.110 -7.651 1.00 0.00 C ATOM 583 OG SER A 42 -2.100 -4.480 -8.815 1.00 0.00 O ATOM 0 H SER A 42 -1.732 -2.871 -7.048 1.00 0.00 H new ATOM 0 HA SER A 42 -2.155 -5.270 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.714 -6.179 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.598 -4.722 -7.425 1.00 0.00 H new ATOM 0 HG SER A 42 -2.709 -4.642 -9.565 1.00 0.00 H new ATOM 589 N SER A 43 0.594 -4.955 -7.298 1.00 0.00 N ATOM 590 CA SER A 43 1.897 -5.553 -7.566 1.00 0.00 C ATOM 591 C SER A 43 2.669 -5.777 -6.270 1.00 0.00 C ATOM 592 O SER A 43 3.308 -6.814 -6.086 1.00 0.00 O ATOM 593 CB SER A 43 2.707 -4.659 -8.508 1.00 0.00 C ATOM 594 OG SER A 43 3.939 -5.268 -8.853 1.00 0.00 O ATOM 0 H SER A 43 0.492 -3.997 -7.634 1.00 0.00 H new ATOM 0 HA SER A 43 1.735 -6.520 -8.043 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.130 -4.460 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.894 -3.697 -8.031 1.00 0.00 H new ATOM 0 HG SER A 43 4.438 -4.678 -9.456 1.00 0.00 H new ATOM 600 N VAL A 44 2.605 -4.798 -5.373 1.00 0.00 N ATOM 601 CA VAL A 44 3.296 -4.888 -4.092 1.00 0.00 C ATOM 602 C VAL A 44 2.456 -5.640 -3.065 1.00 0.00 C ATOM 603 O VAL A 44 2.926 -6.586 -2.434 1.00 0.00 O ATOM 604 CB VAL A 44 3.636 -3.492 -3.539 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.333 -3.607 -2.192 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.495 -2.721 -4.529 1.00 0.00 C ATOM 0 H VAL A 44 2.082 -3.933 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 44 4.222 -5.435 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 44 2.707 -2.941 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.566 -2.611 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.678 -4.117 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.256 -4.176 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.725 -1.737 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.422 -3.266 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.954 -2.607 -5.468 1.00 0.00 H new ATOM 616 N CYS A 45 1.208 -5.211 -2.903 1.00 0.00 N ATOM 617 CA CYS A 45 0.300 -5.843 -1.953 1.00 0.00 C ATOM 618 C CYS A 45 -0.095 -7.240 -2.424 1.00 0.00 C ATOM 619 O CYS A 45 -0.163 -8.177 -1.629 1.00 0.00 O ATOM 620 CB CYS A 45 -0.951 -4.984 -1.764 1.00 0.00 C ATOM 621 SG CYS A 45 -0.605 -3.234 -1.397 1.00 0.00 S ATOM 0 H CYS A 45 0.803 -4.429 -3.417 1.00 0.00 H new ATOM 0 HA CYS A 45 0.818 -5.934 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.558 -5.041 -2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.547 -5.403 -0.953 1.00 0.00 H new ATOM 626 N GLN A 46 -0.354 -7.370 -3.721 1.00 0.00 N ATOM 627 CA GLN A 46 -0.741 -8.652 -4.297 1.00 0.00 C ATOM 628 C GLN A 46 0.274 -9.111 -5.338 1.00 0.00 C ATOM 629 O GLN A 46 1.311 -8.478 -5.530 1.00 0.00 O ATOM 630 CB GLN A 46 -2.130 -8.551 -4.932 1.00 0.00 C ATOM 631 CG GLN A 46 -3.219 -8.149 -3.951 1.00 0.00 C ATOM 632 CD GLN A 46 -4.611 -8.282 -4.537 1.00 0.00 C ATOM 633 OE1 GLN A 46 -4.878 -7.811 -5.644 1.00 0.00 O ATOM 634 NE2 GLN A 46 -5.506 -8.924 -3.798 1.00 0.00 N ATOM 0 H GLN A 46 -0.303 -6.604 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.768 -9.389 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.097 -7.824 -5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.389 -9.513 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.144 -8.769 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.058 -7.117 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.241 -9.298 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.459 -9.044 -4.141 1.00 0.00 H new ATOM 643 N GLY A 47 -0.032 -10.217 -6.009 1.00 0.00 N ATOM 644 CA GLY A 47 0.864 -10.742 -7.023 1.00 0.00 C ATOM 645 C GLY A 47 0.332 -12.006 -7.670 1.00 0.00 C ATOM 646 O GLY A 47 -0.875 -12.246 -7.675 1.00 0.00 O ATOM 0 H GLY A 47 -0.885 -10.759 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.023 -9.984 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.835 -10.949 -6.573 1.00 0.00 H new ATOM 650 N GLU A 48 1.234 -12.813 -8.219 1.00 0.00 N ATOM 651 CA GLU A 48 0.846 -14.057 -8.874 1.00 0.00 C ATOM 652 C GLU A 48 1.290 -15.265 -8.054 1.00 0.00 C ATOM 653 O GLU A 48 0.533 -16.220 -7.875 1.00 0.00 O ATOM 654 CB GLU A 48 1.452 -14.130 -10.277 1.00 0.00 C ATOM 655 CG GLU A 48 0.797 -15.172 -11.169 1.00 0.00 C ATOM 656 CD GLU A 48 0.925 -14.842 -12.643 1.00 0.00 C ATOM 657 OE1 GLU A 48 2.031 -15.018 -13.197 1.00 0.00 O ATOM 658 OE2 GLU A 48 -0.080 -14.408 -13.243 1.00 0.00 O ATOM 0 H GLU A 48 2.237 -12.628 -8.223 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.241 -14.073 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.367 -13.152 -10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.516 -14.352 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.250 -16.145 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.258 -15.255 -10.910 1.00 0.00 H new ATOM 665 N LYS A 49 2.521 -15.216 -7.557 1.00 0.00 N ATOM 666 CA LYS A 49 3.067 -16.305 -6.755 1.00 0.00 C ATOM 667 C LYS A 49 2.132 -16.652 -5.601 1.00 0.00 C ATOM 668 O LYS A 49 1.463 -15.779 -5.048 1.00 0.00 O ATOM 669 CB LYS A 49 4.446 -15.923 -6.212 1.00 0.00 C ATOM 670 CG LYS A 49 5.371 -17.111 -6.011 1.00 0.00 C ATOM 671 CD LYS A 49 5.233 -17.696 -4.616 1.00 0.00 C ATOM 672 CE LYS A 49 6.017 -18.992 -4.474 1.00 0.00 C ATOM 673 NZ LYS A 49 7.453 -18.742 -4.169 1.00 0.00 N ATOM 0 H LYS A 49 3.160 -14.433 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 49 3.165 -17.182 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.916 -15.220 -6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.322 -15.405 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.146 -17.878 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.403 -16.802 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.587 -16.973 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.181 -17.881 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.577 -19.597 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.937 -19.568 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.952 -19.650 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.880 -18.186 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.532 -18.215 -3.276 1.00 0.00 H new ATOM 687 N SER A 50 2.093 -17.930 -5.241 1.00 0.00 N ATOM 688 CA SER A 50 1.238 -18.393 -4.153 1.00 0.00 C ATOM 689 C SER A 50 1.303 -17.436 -2.968 1.00 0.00 C ATOM 690 O SER A 50 0.295 -16.850 -2.573 1.00 0.00 O ATOM 691 CB SER A 50 1.653 -19.798 -3.714 1.00 0.00 C ATOM 692 OG SER A 50 1.640 -20.700 -4.806 1.00 0.00 O ATOM 0 H SER A 50 2.643 -18.664 -5.686 1.00 0.00 H new ATOM 0 HA SER A 50 0.211 -18.423 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.651 -19.766 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.977 -20.154 -2.937 1.00 0.00 H new ATOM 0 HG SER A 50 1.911 -21.590 -4.498 1.00 0.00 H new ATOM 698 N SER A 51 2.497 -17.283 -2.403 1.00 0.00 N ATOM 699 CA SER A 51 2.694 -16.401 -1.259 1.00 0.00 C ATOM 700 C SER A 51 1.885 -15.117 -1.417 1.00 0.00 C ATOM 701 O SER A 51 1.778 -14.569 -2.514 1.00 0.00 O ATOM 702 CB SER A 51 4.178 -16.066 -1.096 1.00 0.00 C ATOM 703 OG SER A 51 4.430 -15.463 0.162 1.00 0.00 O ATOM 0 H SER A 51 3.342 -17.759 -2.719 1.00 0.00 H new ATOM 0 HA SER A 51 2.346 -16.921 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.772 -16.975 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.492 -15.394 -1.894 1.00 0.00 H new ATOM 0 HG SER A 51 5.385 -15.260 0.242 1.00 0.00 H new ATOM 709 N GLY A 52 1.317 -14.642 -0.313 1.00 0.00 N ATOM 710 CA GLY A 52 0.526 -13.425 -0.350 1.00 0.00 C ATOM 711 C GLY A 52 -0.942 -13.682 -0.073 1.00 0.00 C ATOM 712 O GLY A 52 -1.379 -13.733 1.076 1.00 0.00 O ATOM 0 H GLY A 52 1.390 -15.078 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.914 -12.720 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.632 -12.956 -1.328 1.00 0.00 H new ATOM 716 N PRO A 53 -1.731 -13.846 -1.145 1.00 0.00 N ATOM 717 CA PRO A 53 -3.171 -14.100 -1.038 1.00 0.00 C ATOM 718 C PRO A 53 -3.476 -15.485 -0.480 1.00 0.00 C ATOM 719 O PRO A 53 -3.677 -16.437 -1.233 1.00 0.00 O ATOM 720 CB PRO A 53 -3.660 -13.987 -2.485 1.00 0.00 C ATOM 721 CG PRO A 53 -2.465 -14.308 -3.315 1.00 0.00 C ATOM 722 CD PRO A 53 -1.277 -13.799 -2.546 1.00 0.00 C ATOM 0 HA PRO A 53 -3.657 -13.405 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.477 -14.681 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.034 -12.986 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.387 -15.381 -3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.530 -13.831 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.398 -14.424 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.007 -12.787 -2.847 1.00 0.00 H new ATOM 730 N SER A 54 -3.508 -15.590 0.845 1.00 0.00 N ATOM 731 CA SER A 54 -3.785 -16.861 1.504 1.00 0.00 C ATOM 732 C SER A 54 -4.077 -16.651 2.988 1.00 0.00 C ATOM 733 O SER A 54 -3.770 -15.599 3.549 1.00 0.00 O ATOM 734 CB SER A 54 -2.601 -17.815 1.336 1.00 0.00 C ATOM 735 OG SER A 54 -1.504 -17.414 2.137 1.00 0.00 O ATOM 0 H SER A 54 -3.346 -14.811 1.483 1.00 0.00 H new ATOM 0 HA SER A 54 -4.666 -17.301 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.904 -18.826 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.299 -17.844 0.289 1.00 0.00 H new ATOM 0 HG SER A 54 -0.761 -18.041 2.012 1.00 0.00 H new ATOM 741 N SER A 55 -4.672 -17.660 3.616 1.00 0.00 N ATOM 742 CA SER A 55 -5.009 -17.587 5.032 1.00 0.00 C ATOM 743 C SER A 55 -4.254 -18.647 5.827 1.00 0.00 C ATOM 744 O SER A 55 -4.493 -19.844 5.670 1.00 0.00 O ATOM 745 CB SER A 55 -6.516 -17.763 5.229 1.00 0.00 C ATOM 746 OG SER A 55 -7.233 -16.665 4.690 1.00 0.00 O ATOM 0 H SER A 55 -4.931 -18.538 3.166 1.00 0.00 H new ATOM 0 HA SER A 55 -4.713 -16.604 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.843 -18.686 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.738 -17.860 6.292 1.00 0.00 H new ATOM 0 HG SER A 55 -8.194 -16.803 4.827 1.00 0.00 H new ATOM 752 N GLY A 56 -3.339 -18.198 6.681 1.00 0.00 N ATOM 753 CA GLY A 56 -2.562 -19.120 7.489 1.00 0.00 C ATOM 754 C GLY A 56 -3.079 -19.226 8.909 1.00 0.00 C ATOM 755 O GLY A 56 -2.320 -19.077 9.866 1.00 0.00 O ATOM 0 H GLY A 56 -3.122 -17.212 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.578 -20.106 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.522 -18.794 7.508 1.00 0.00 H new TER 759 GLY A 56