USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ -115:sc= 1.48 (180deg=0.777) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= 2.11 (180deg=-0.492) USER MOD Single : A 31 SER OG : rot 116:sc= 0.801 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 1.03 (180deg=-0.37!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0.602 (180deg=0.602) USER MOD Single : A 41 GLN : amide:sc= -3.75! K(o=-3.7!,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.396 (180deg=-2.44!) USER MOD Single : A 47 GLN : amide:sc= -1.03 K(o=-1,f=-0.096) USER MOD Single : A 55 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 69:sc= 0.609 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00216) USER MOD Single : A 75 ASN : amide:sc= -4.49! K(o=-4.5!,f=-2.4) USER MOD Single : A 78 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -9.516 -32.394 6.548 1.00 0.00 N ATOM 20 CA LYS A 21 -9.924 -31.430 7.603 1.00 0.00 C ATOM 21 C LYS A 21 -8.719 -30.515 7.958 1.00 0.00 C ATOM 22 O LYS A 21 -8.275 -30.454 9.089 1.00 0.00 O ATOM 23 CB LYS A 21 -10.440 -32.307 8.800 1.00 0.00 C ATOM 24 CG LYS A 21 -10.891 -31.447 10.043 1.00 0.00 C ATOM 25 CD LYS A 21 -11.821 -30.349 9.502 1.00 0.00 C ATOM 26 CE LYS A 21 -12.346 -29.380 10.519 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.886 -28.296 9.657 1.00 0.00 N ATOM 0 HA LYS A 21 -10.718 -30.750 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.279 -32.916 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.651 -32.994 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.408 -32.066 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.028 -31.011 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.284 -29.788 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.669 -30.827 9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.117 -29.825 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.561 -29.020 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.340 -27.425 9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.813 -28.578 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.884 -28.126 9.897 1.00 0.00 H new ATOM 41 N THR A 22 -8.208 -29.815 6.976 1.00 0.00 N ATOM 42 CA THR A 22 -7.031 -28.889 7.186 1.00 0.00 C ATOM 43 C THR A 22 -7.458 -27.422 7.008 1.00 0.00 C ATOM 44 O THR A 22 -6.676 -26.542 6.709 1.00 0.00 O ATOM 45 CB THR A 22 -5.901 -29.236 6.174 1.00 0.00 C ATOM 46 OG1 THR A 22 -6.567 -29.285 4.929 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.413 -30.673 6.285 1.00 0.00 C ATOM 0 H THR A 22 -8.557 -29.841 6.018 1.00 0.00 H new ATOM 0 HA THR A 22 -6.661 -29.022 8.202 1.00 0.00 H new ATOM 0 HB THR A 22 -5.083 -28.531 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.923 -29.499 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.626 -30.848 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.021 -30.848 7.287 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.242 -31.355 6.096 1.00 0.00 H new ATOM 55 N GLU A 23 -8.734 -27.237 7.227 1.00 0.00 N ATOM 56 CA GLU A 23 -9.436 -25.908 7.218 1.00 0.00 C ATOM 57 C GLU A 23 -10.423 -25.844 8.434 1.00 0.00 C ATOM 58 O GLU A 23 -10.987 -26.858 8.799 1.00 0.00 O ATOM 59 CB GLU A 23 -10.143 -25.804 5.842 1.00 0.00 C ATOM 60 CG GLU A 23 -11.437 -26.707 5.726 1.00 0.00 C ATOM 61 CD GLU A 23 -11.221 -28.209 6.061 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.366 -28.860 5.475 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.968 -28.625 6.933 1.00 0.00 O ATOM 0 H GLU A 23 -9.366 -28.012 7.427 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.761 -25.060 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.418 -24.765 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.440 -26.088 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.201 -26.308 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.827 -26.629 4.711 1.00 0.00 H new ATOM 70 N TRP A 24 -10.640 -24.699 9.052 1.00 0.00 N ATOM 71 CA TRP A 24 -11.599 -24.650 10.233 1.00 0.00 C ATOM 72 C TRP A 24 -12.713 -23.588 10.275 1.00 0.00 C ATOM 73 O TRP A 24 -12.794 -22.758 11.160 1.00 0.00 O ATOM 74 CB TRP A 24 -10.679 -24.574 11.449 1.00 0.00 C ATOM 75 CG TRP A 24 -10.189 -25.927 11.772 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.855 -26.649 12.646 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.119 -26.557 11.340 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.121 -27.755 12.724 1.00 0.00 N ATOM 79 CE2 TRP A 24 -9.034 -27.777 11.957 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.198 -26.129 10.419 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.967 -28.573 11.631 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.153 -26.935 10.109 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.035 -28.155 10.717 1.00 0.00 C ATOM 0 H TRP A 24 -10.208 -23.809 8.803 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.235 -25.533 10.173 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -9.840 -23.910 11.244 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.216 -24.156 12.300 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.768 -26.405 13.169 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.374 -28.534 13.331 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.304 -25.163 9.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.859 -29.540 12.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.417 -26.616 9.386 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.199 -28.795 10.474 1.00 0.00 H new ATOM 94 N PRO A 25 -13.589 -23.683 9.308 1.00 0.00 N ATOM 95 CA PRO A 25 -14.717 -22.732 9.111 1.00 0.00 C ATOM 96 C PRO A 25 -15.545 -22.590 10.358 1.00 0.00 C ATOM 97 O PRO A 25 -15.958 -21.504 10.688 1.00 0.00 O ATOM 98 CB PRO A 25 -15.426 -23.323 7.902 1.00 0.00 C ATOM 99 CG PRO A 25 -14.322 -24.085 7.147 1.00 0.00 C ATOM 100 CD PRO A 25 -13.597 -24.762 8.287 1.00 0.00 C ATOM 0 HA PRO A 25 -14.430 -21.697 8.926 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.235 -23.989 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.868 -22.544 7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.731 -24.803 6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.671 -23.415 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.119 -25.653 8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.590 -25.071 8.008 1.00 0.00 H new ATOM 108 N GLU A 26 -15.745 -23.676 11.037 1.00 0.00 N ATOM 109 CA GLU A 26 -16.560 -23.712 12.282 1.00 0.00 C ATOM 110 C GLU A 26 -16.110 -22.595 13.251 1.00 0.00 C ATOM 111 O GLU A 26 -16.865 -22.064 14.045 1.00 0.00 O ATOM 112 CB GLU A 26 -16.365 -25.099 12.892 1.00 0.00 C ATOM 113 CG GLU A 26 -16.594 -26.243 11.832 1.00 0.00 C ATOM 114 CD GLU A 26 -15.341 -26.593 11.013 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.269 -26.075 11.262 1.00 0.00 O ATOM 116 OE2 GLU A 26 -15.506 -27.409 10.129 1.00 0.00 O ATOM 0 H GLU A 26 -15.361 -24.582 10.770 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.616 -23.536 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.357 -25.178 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.057 -25.231 13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.941 -27.138 12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.389 -25.940 11.150 1.00 0.00 H new ATOM 123 N LEU A 27 -14.850 -22.269 13.122 1.00 0.00 N ATOM 124 CA LEU A 27 -14.196 -21.265 13.985 1.00 0.00 C ATOM 125 C LEU A 27 -14.485 -19.811 13.570 1.00 0.00 C ATOM 126 O LEU A 27 -14.314 -18.941 14.404 1.00 0.00 O ATOM 127 CB LEU A 27 -12.687 -21.546 13.950 1.00 0.00 C ATOM 128 CG LEU A 27 -12.266 -22.951 14.399 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.742 -22.932 14.339 1.00 0.00 C ATOM 130 CD2 LEU A 27 -12.713 -23.280 15.834 1.00 0.00 C ATOM 0 H LEU A 27 -14.232 -22.680 12.423 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.601 -21.359 14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.329 -21.386 12.933 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.184 -20.815 14.584 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.726 -23.708 13.763 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.354 -23.903 14.646 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.421 -22.718 13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.361 -22.161 15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.386 -24.287 16.095 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.270 -22.564 16.526 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.800 -23.223 15.899 1.00 0.00 H new ATOM 142 N VAL A 28 -14.903 -19.509 12.359 1.00 0.00 N ATOM 143 CA VAL A 28 -15.178 -18.062 12.034 1.00 0.00 C ATOM 144 C VAL A 28 -16.086 -17.484 13.161 1.00 0.00 C ATOM 145 O VAL A 28 -17.017 -18.127 13.625 1.00 0.00 O ATOM 146 CB VAL A 28 -15.883 -17.959 10.614 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.114 -16.472 10.288 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.018 -18.548 9.433 1.00 0.00 C ATOM 0 H VAL A 28 -15.062 -20.174 11.603 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.253 -17.488 11.985 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.805 -18.537 10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.598 -16.384 9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.751 -16.027 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.157 -15.951 10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.563 -18.443 8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.075 -18.006 9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.817 -19.603 9.620 1.00 0.00 H new ATOM 158 N GLY A 29 -15.796 -16.289 13.612 1.00 0.00 N ATOM 159 CA GLY A 29 -16.616 -15.688 14.735 1.00 0.00 C ATOM 160 C GLY A 29 -16.141 -16.127 16.142 1.00 0.00 C ATOM 161 O GLY A 29 -16.599 -15.607 17.140 1.00 0.00 O ATOM 0 H GLY A 29 -15.039 -15.702 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.572 -14.601 14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.660 -15.973 14.606 1.00 0.00 H new ATOM 165 N LYS A 30 -15.243 -17.076 16.184 1.00 0.00 N ATOM 166 CA LYS A 30 -14.705 -17.608 17.480 1.00 0.00 C ATOM 167 C LYS A 30 -13.269 -17.094 17.687 1.00 0.00 C ATOM 168 O LYS A 30 -12.699 -16.586 16.751 1.00 0.00 O ATOM 169 CB LYS A 30 -14.628 -19.145 17.455 1.00 0.00 C ATOM 170 CG LYS A 30 -15.864 -19.890 16.843 1.00 0.00 C ATOM 171 CD LYS A 30 -17.239 -19.404 17.361 1.00 0.00 C ATOM 172 CE LYS A 30 -18.325 -20.242 16.659 1.00 0.00 C ATOM 173 NZ LYS A 30 -18.303 -19.999 15.172 1.00 0.00 N ATOM 0 H LYS A 30 -14.848 -17.518 15.354 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.372 -17.277 18.276 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.740 -19.434 16.892 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.487 -19.498 18.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.839 -19.775 15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.769 -20.955 17.053 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.304 -19.522 18.443 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.376 -18.344 17.147 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.163 -21.301 16.862 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.306 -19.986 17.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.275 -19.868 14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.745 -19.145 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.873 -20.816 14.693 1.00 0.00 H new ATOM 187 N SER A 31 -12.741 -17.239 18.874 1.00 0.00 N ATOM 188 CA SER A 31 -11.331 -16.825 19.209 1.00 0.00 C ATOM 189 C SER A 31 -10.267 -17.842 18.981 1.00 0.00 C ATOM 190 O SER A 31 -10.429 -19.036 18.791 1.00 0.00 O ATOM 191 CB SER A 31 -11.322 -16.346 20.693 1.00 0.00 C ATOM 192 OG SER A 31 -12.258 -17.203 21.333 1.00 0.00 O ATOM 0 H SER A 31 -13.246 -17.644 19.662 1.00 0.00 H new ATOM 0 HA SER A 31 -11.069 -16.033 18.507 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.330 -16.436 21.136 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.615 -15.300 20.777 1.00 0.00 H new ATOM 0 HG SER A 31 -11.797 -17.747 22.005 1.00 0.00 H new ATOM 198 N VAL A 32 -9.133 -17.225 19.029 1.00 0.00 N ATOM 199 CA VAL A 32 -7.893 -17.923 18.719 1.00 0.00 C ATOM 200 C VAL A 32 -7.531 -19.136 19.626 1.00 0.00 C ATOM 201 O VAL A 32 -7.241 -20.204 19.125 1.00 0.00 O ATOM 202 CB VAL A 32 -6.866 -16.744 18.720 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.085 -16.653 20.061 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.817 -16.797 17.606 1.00 0.00 C ATOM 0 H VAL A 32 -9.021 -16.242 19.277 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.938 -18.463 17.773 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.500 -15.872 18.559 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.383 -15.820 20.017 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.786 -16.494 20.880 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.538 -17.581 20.227 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.152 -15.938 17.691 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.237 -17.715 17.696 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.315 -16.776 16.636 1.00 0.00 H new ATOM 214 N GLU A 33 -7.551 -18.990 20.927 1.00 0.00 N ATOM 215 CA GLU A 33 -7.185 -20.181 21.766 1.00 0.00 C ATOM 216 C GLU A 33 -8.248 -21.283 21.656 1.00 0.00 C ATOM 217 O GLU A 33 -7.928 -22.456 21.623 1.00 0.00 O ATOM 218 CB GLU A 33 -6.966 -19.674 23.229 1.00 0.00 C ATOM 219 CG GLU A 33 -5.501 -19.015 23.338 1.00 0.00 C ATOM 220 CD GLU A 33 -4.317 -19.996 23.120 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.523 -21.198 23.026 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.188 -19.543 23.042 1.00 0.00 O ATOM 0 H GLU A 33 -7.793 -18.138 21.432 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.263 -20.643 21.412 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.729 -18.942 23.493 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.061 -20.501 23.933 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.426 -18.212 22.605 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.398 -18.559 24.323 1.00 0.00 H new ATOM 229 N GLU A 34 -9.479 -20.899 21.587 1.00 0.00 N ATOM 230 CA GLU A 34 -10.598 -21.892 21.396 1.00 0.00 C ATOM 231 C GLU A 34 -10.292 -22.616 20.074 1.00 0.00 C ATOM 232 O GLU A 34 -10.264 -23.833 19.978 1.00 0.00 O ATOM 233 CB GLU A 34 -11.912 -21.102 21.351 1.00 0.00 C ATOM 234 CG GLU A 34 -12.297 -20.606 22.803 1.00 0.00 C ATOM 235 CD GLU A 34 -11.102 -20.017 23.551 1.00 0.00 C ATOM 236 OE1 GLU A 34 -10.916 -18.832 23.343 1.00 0.00 O ATOM 237 OE2 GLU A 34 -10.462 -20.790 24.247 1.00 0.00 O ATOM 0 H GLU A 34 -9.780 -19.927 21.654 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.686 -22.628 22.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.809 -20.248 20.682 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.708 -21.728 20.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.084 -19.855 22.731 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.704 -21.441 23.373 1.00 0.00 H new ATOM 244 N ALA A 35 -10.053 -21.819 19.063 1.00 0.00 N ATOM 245 CA ALA A 35 -9.674 -22.387 17.751 1.00 0.00 C ATOM 246 C ALA A 35 -8.545 -23.394 17.918 1.00 0.00 C ATOM 247 O ALA A 35 -8.684 -24.543 17.583 1.00 0.00 O ATOM 248 CB ALA A 35 -9.248 -21.227 16.875 1.00 0.00 C ATOM 0 H ALA A 35 -10.106 -20.801 19.098 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.509 -22.919 17.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.958 -21.600 15.893 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.078 -20.528 16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.401 -20.717 17.334 1.00 0.00 H new ATOM 254 N LYS A 36 -7.466 -22.912 18.450 1.00 0.00 N ATOM 255 CA LYS A 36 -6.219 -23.668 18.664 1.00 0.00 C ATOM 256 C LYS A 36 -6.624 -25.003 19.232 1.00 0.00 C ATOM 257 O LYS A 36 -6.301 -26.053 18.708 1.00 0.00 O ATOM 258 CB LYS A 36 -5.410 -22.669 19.557 1.00 0.00 C ATOM 259 CG LYS A 36 -3.907 -22.958 19.878 1.00 0.00 C ATOM 260 CD LYS A 36 -3.231 -21.532 19.971 1.00 0.00 C ATOM 261 CE LYS A 36 -1.783 -21.500 20.518 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.835 -21.455 22.009 1.00 0.00 N ATOM 0 H LYS A 36 -7.402 -21.945 18.768 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.589 -23.947 17.819 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.458 -21.691 19.077 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.935 -22.584 20.508 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.801 -23.507 20.813 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.446 -23.564 19.098 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.232 -21.086 18.976 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.852 -20.899 20.605 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.234 -22.381 20.186 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.253 -20.630 20.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.923 -21.769 22.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.027 -20.482 22.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.591 -22.083 22.349 1.00 0.00 H new ATOM 276 N LYS A 37 -7.374 -24.890 20.287 1.00 0.00 N ATOM 277 CA LYS A 37 -7.813 -26.096 20.999 1.00 0.00 C ATOM 278 C LYS A 37 -8.493 -27.078 20.048 1.00 0.00 C ATOM 279 O LYS A 37 -8.123 -28.227 19.961 1.00 0.00 O ATOM 280 CB LYS A 37 -8.801 -25.741 22.114 1.00 0.00 C ATOM 281 CG LYS A 37 -8.163 -25.015 23.307 1.00 0.00 C ATOM 282 CD LYS A 37 -9.344 -24.738 24.289 1.00 0.00 C ATOM 283 CE LYS A 37 -8.974 -23.827 25.450 1.00 0.00 C ATOM 284 NZ LYS A 37 -8.522 -22.529 24.872 1.00 0.00 N ATOM 0 H LYS A 37 -7.699 -24.007 20.682 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.923 -26.558 21.426 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.590 -25.113 21.700 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.275 -26.656 22.470 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.394 -25.628 23.777 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.684 -24.087 22.994 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.168 -24.289 23.735 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.706 -25.687 24.685 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.830 -23.677 26.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.184 -24.275 26.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.260 -21.879 25.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.698 -22.690 24.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.293 -22.111 24.313 1.00 0.00 H new ATOM 298 N VAL A 38 -9.475 -26.565 19.362 1.00 0.00 N ATOM 299 CA VAL A 38 -10.293 -27.364 18.382 1.00 0.00 C ATOM 300 C VAL A 38 -9.460 -27.966 17.254 1.00 0.00 C ATOM 301 O VAL A 38 -9.486 -29.144 16.943 1.00 0.00 O ATOM 302 CB VAL A 38 -11.356 -26.443 17.774 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.139 -27.218 16.682 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.336 -25.972 18.850 1.00 0.00 C ATOM 0 H VAL A 38 -9.761 -25.589 19.438 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.739 -28.195 18.929 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.861 -25.574 17.340 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.897 -26.567 16.246 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.450 -27.545 15.903 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.621 -28.088 17.128 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.084 -25.319 18.400 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.829 -26.836 19.296 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.794 -25.425 19.622 1.00 0.00 H new ATOM 314 N ILE A 39 -8.732 -27.081 16.663 1.00 0.00 N ATOM 315 CA ILE A 39 -7.864 -27.407 15.525 1.00 0.00 C ATOM 316 C ILE A 39 -6.967 -28.536 15.939 1.00 0.00 C ATOM 317 O ILE A 39 -6.864 -29.525 15.253 1.00 0.00 O ATOM 318 CB ILE A 39 -7.097 -26.158 15.193 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.120 -25.173 14.601 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.129 -26.498 14.108 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.409 -23.946 14.027 1.00 0.00 C ATOM 0 H ILE A 39 -8.704 -26.099 16.938 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.415 -27.727 14.641 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.582 -25.749 16.063 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.698 -25.665 13.819 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.826 -24.865 15.372 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.554 -25.611 13.842 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.452 -27.278 14.456 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.673 -26.853 13.233 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.147 -23.259 13.612 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.851 -23.445 14.818 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.722 -24.258 13.241 1.00 0.00 H new ATOM 333 N LEU A 40 -6.336 -28.354 17.063 1.00 0.00 N ATOM 334 CA LEU A 40 -5.446 -29.407 17.592 1.00 0.00 C ATOM 335 C LEU A 40 -6.197 -30.682 17.958 1.00 0.00 C ATOM 336 O LEU A 40 -5.576 -31.709 18.162 1.00 0.00 O ATOM 337 CB LEU A 40 -4.732 -28.693 18.732 1.00 0.00 C ATOM 338 CG LEU A 40 -3.649 -27.872 17.996 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.169 -26.694 18.806 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.474 -28.829 17.749 1.00 0.00 C ATOM 0 H LEU A 40 -6.403 -27.514 17.638 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.730 -29.802 16.871 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.410 -28.053 19.297 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.295 -29.397 19.440 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.064 -27.468 17.073 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.409 -26.151 18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.008 -26.031 19.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.742 -27.048 19.745 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.676 -28.299 17.229 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.101 -29.201 18.703 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.810 -29.668 17.139 1.00 0.00 H new ATOM 352 N GLN A 41 -7.500 -30.598 18.038 1.00 0.00 N ATOM 353 CA GLN A 41 -8.286 -31.851 18.256 1.00 0.00 C ATOM 354 C GLN A 41 -8.421 -32.566 16.878 1.00 0.00 C ATOM 355 O GLN A 41 -8.667 -33.755 16.829 1.00 0.00 O ATOM 356 CB GLN A 41 -9.661 -31.430 18.915 1.00 0.00 C ATOM 357 CG GLN A 41 -10.773 -32.523 18.760 1.00 0.00 C ATOM 358 CD GLN A 41 -11.490 -32.491 17.399 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.371 -33.284 17.142 1.00 0.00 O ATOM 360 NE2 GLN A 41 -11.173 -31.616 16.495 1.00 0.00 N ATOM 0 H GLN A 41 -8.044 -29.738 17.964 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.812 -32.562 18.932 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.503 -31.228 19.974 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.006 -30.501 18.461 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.325 -33.507 18.901 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.511 -32.392 19.552 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.436 -30.935 16.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.661 -31.609 15.599 1.00 0.00 H new ATOM 369 N ASP A 42 -8.256 -31.816 15.817 1.00 0.00 N ATOM 370 CA ASP A 42 -8.272 -32.349 14.402 1.00 0.00 C ATOM 371 C ASP A 42 -6.838 -32.640 13.781 1.00 0.00 C ATOM 372 O ASP A 42 -6.552 -33.708 13.268 1.00 0.00 O ATOM 373 CB ASP A 42 -9.031 -31.314 13.496 1.00 0.00 C ATOM 374 CG ASP A 42 -10.551 -31.304 13.635 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.138 -32.365 13.712 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.036 -30.193 13.645 1.00 0.00 O ATOM 0 H ASP A 42 -8.103 -30.809 15.869 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.774 -33.316 14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.657 -30.316 13.724 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.781 -31.518 12.455 1.00 0.00 H new ATOM 381 N LYS A 43 -5.954 -31.676 13.829 1.00 0.00 N ATOM 382 CA LYS A 43 -4.577 -31.815 13.215 1.00 0.00 C ATOM 383 C LYS A 43 -3.369 -31.708 14.204 1.00 0.00 C ATOM 384 O LYS A 43 -2.671 -30.711 14.201 1.00 0.00 O ATOM 385 CB LYS A 43 -4.452 -30.725 12.106 1.00 0.00 C ATOM 386 CG LYS A 43 -3.141 -30.938 11.283 1.00 0.00 C ATOM 387 CD LYS A 43 -3.469 -31.716 9.972 1.00 0.00 C ATOM 388 CE LYS A 43 -2.203 -32.159 9.229 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.582 -33.266 10.010 1.00 0.00 N ATOM 0 H LYS A 43 -6.123 -30.775 14.276 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.509 -32.832 12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.317 -30.769 11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.448 -29.734 12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.689 -29.975 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.414 -31.493 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.072 -32.591 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.070 -31.085 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.449 -32.493 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.508 -31.326 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.560 -33.295 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.739 -33.105 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.012 -34.171 9.732 1.00 0.00 H new ATOM 403 N PRO A 44 -3.151 -32.724 15.018 1.00 0.00 N ATOM 404 CA PRO A 44 -2.029 -32.821 16.002 1.00 0.00 C ATOM 405 C PRO A 44 -0.875 -31.789 15.982 1.00 0.00 C ATOM 406 O PRO A 44 -0.544 -31.201 16.987 1.00 0.00 O ATOM 407 CB PRO A 44 -1.565 -34.265 15.778 1.00 0.00 C ATOM 408 CG PRO A 44 -2.893 -35.046 15.488 1.00 0.00 C ATOM 409 CD PRO A 44 -3.960 -33.974 15.098 1.00 0.00 C ATOM 0 HA PRO A 44 -2.392 -32.565 16.997 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.869 -34.336 14.942 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.052 -34.661 16.655 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.752 -35.765 14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.211 -35.610 16.365 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.441 -34.207 14.148 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.750 -33.898 15.845 1.00 0.00 H new ATOM 417 N GLU A 45 -0.316 -31.611 14.819 1.00 0.00 N ATOM 418 CA GLU A 45 0.863 -30.735 14.546 1.00 0.00 C ATOM 419 C GLU A 45 0.610 -29.214 14.605 1.00 0.00 C ATOM 420 O GLU A 45 1.521 -28.440 14.830 1.00 0.00 O ATOM 421 CB GLU A 45 1.379 -31.144 13.150 1.00 0.00 C ATOM 422 CG GLU A 45 1.475 -32.711 12.992 1.00 0.00 C ATOM 423 CD GLU A 45 0.321 -33.272 12.161 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.826 -32.975 12.438 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.612 -34.003 11.234 1.00 0.00 O ATOM 0 H GLU A 45 -0.659 -32.077 13.979 1.00 0.00 H new ATOM 0 HA GLU A 45 1.587 -30.892 15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.714 -30.742 12.386 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.361 -30.702 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.422 -32.971 12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.472 -33.176 13.978 1.00 0.00 H new ATOM 432 N ALA A 46 -0.630 -28.857 14.412 1.00 0.00 N ATOM 433 CA ALA A 46 -1.085 -27.429 14.371 1.00 0.00 C ATOM 434 C ALA A 46 -0.435 -26.530 15.473 1.00 0.00 C ATOM 435 O ALA A 46 -1.019 -26.223 16.492 1.00 0.00 O ATOM 436 CB ALA A 46 -2.625 -27.526 14.484 1.00 0.00 C ATOM 0 H ALA A 46 -1.385 -29.528 14.274 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.771 -26.928 13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.055 -26.525 14.463 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.015 -28.106 13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.891 -28.016 15.421 1.00 0.00 H new ATOM 442 N GLN A 47 0.769 -26.080 15.254 1.00 0.00 N ATOM 443 CA GLN A 47 1.522 -25.288 16.276 1.00 0.00 C ATOM 444 C GLN A 47 1.090 -23.839 16.016 1.00 0.00 C ATOM 445 O GLN A 47 1.824 -23.001 15.523 1.00 0.00 O ATOM 446 CB GLN A 47 3.042 -25.558 16.022 1.00 0.00 C ATOM 447 CG GLN A 47 3.875 -25.436 17.356 1.00 0.00 C ATOM 448 CD GLN A 47 3.644 -26.613 18.320 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.173 -26.651 19.410 1.00 0.00 O ATOM 450 NE2 GLN A 47 2.873 -27.598 17.976 1.00 0.00 N ATOM 0 H GLN A 47 1.280 -26.231 14.384 1.00 0.00 H new ATOM 0 HA GLN A 47 1.330 -25.537 17.320 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.171 -26.554 15.600 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.422 -24.848 15.287 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.936 -25.377 17.111 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.612 -24.505 17.858 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.415 -27.593 17.065 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.725 -28.378 18.617 1.00 0.00 H new ATOM 459 N ILE A 48 -0.146 -23.632 16.384 1.00 0.00 N ATOM 460 CA ILE A 48 -0.784 -22.310 16.153 1.00 0.00 C ATOM 461 C ILE A 48 -0.380 -21.101 17.048 1.00 0.00 C ATOM 462 O ILE A 48 -0.148 -21.146 18.242 1.00 0.00 O ATOM 463 CB ILE A 48 -2.270 -22.509 16.249 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.847 -23.580 15.249 1.00 0.00 C ATOM 465 CG2 ILE A 48 -2.962 -21.164 15.920 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.200 -23.937 15.763 1.00 0.00 C ATOM 0 H ILE A 48 -0.741 -24.326 16.836 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.414 -22.007 15.174 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.465 -22.866 17.260 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.908 -23.177 14.238 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.203 -24.458 15.204 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.043 -21.286 15.984 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.640 -20.405 16.633 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.691 -20.853 14.911 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.654 -24.680 15.108 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.111 -24.347 16.769 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.826 -23.045 15.789 1.00 0.00 H new ATOM 478 N ILE A 49 -0.352 -20.041 16.292 1.00 0.00 N ATOM 479 CA ILE A 49 -0.001 -18.654 16.716 1.00 0.00 C ATOM 480 C ILE A 49 -1.248 -17.734 16.613 1.00 0.00 C ATOM 481 O ILE A 49 -2.220 -18.027 15.928 1.00 0.00 O ATOM 482 CB ILE A 49 1.145 -18.182 15.787 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.574 -18.690 16.155 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.231 -16.646 15.667 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.603 -20.163 16.613 1.00 0.00 C ATOM 0 H ILE A 49 -0.582 -20.091 15.300 1.00 0.00 H new ATOM 0 HA ILE A 49 0.325 -18.619 17.755 1.00 0.00 H new ATOM 0 HB ILE A 49 0.856 -18.638 14.840 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.227 -18.574 15.290 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.981 -18.063 16.948 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.053 -16.378 15.003 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.296 -16.260 15.261 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.405 -16.213 16.652 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.627 -20.449 16.853 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.977 -20.282 17.497 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.226 -20.800 15.813 1.00 0.00 H new ATOM 497 N VAL A 50 -1.121 -16.647 17.326 1.00 0.00 N ATOM 498 CA VAL A 50 -2.146 -15.570 17.389 1.00 0.00 C ATOM 499 C VAL A 50 -1.701 -14.474 16.407 1.00 0.00 C ATOM 500 O VAL A 50 -0.643 -13.884 16.524 1.00 0.00 O ATOM 501 CB VAL A 50 -2.195 -15.115 18.865 1.00 0.00 C ATOM 502 CG1 VAL A 50 -0.808 -14.674 19.414 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.168 -13.928 18.996 1.00 0.00 C ATOM 0 H VAL A 50 -0.299 -16.456 17.899 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.152 -15.871 17.098 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.525 -15.974 19.450 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.910 -14.366 20.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.109 -15.508 19.349 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.432 -13.838 18.824 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.207 -13.602 20.036 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.824 -13.104 18.370 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.163 -14.236 18.675 1.00 0.00 H new ATOM 513 N LEU A 51 -2.549 -14.238 15.438 1.00 0.00 N ATOM 514 CA LEU A 51 -2.208 -13.264 14.347 1.00 0.00 C ATOM 515 C LEU A 51 -3.305 -12.254 13.930 1.00 0.00 C ATOM 516 O LEU A 51 -4.373 -12.680 13.524 1.00 0.00 O ATOM 517 CB LEU A 51 -1.779 -14.116 13.133 1.00 0.00 C ATOM 518 CG LEU A 51 -0.262 -14.042 12.911 1.00 0.00 C ATOM 519 CD1 LEU A 51 0.187 -15.198 12.001 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.072 -12.662 12.242 1.00 0.00 C ATOM 0 H LEU A 51 -3.466 -14.677 15.352 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.426 -12.613 14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.076 -15.153 13.290 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.297 -13.768 12.240 1.00 0.00 H new ATOM 0 HG LEU A 51 0.264 -14.129 13.862 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.264 -15.142 11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.063 -16.149 12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.322 -15.123 11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.147 -12.589 12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.449 -12.585 11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.249 -11.853 12.898 1.00 0.00 H new ATOM 532 N PRO A 52 -3.060 -10.964 14.024 1.00 0.00 N ATOM 533 CA PRO A 52 -4.068 -9.985 13.553 1.00 0.00 C ATOM 534 C PRO A 52 -4.232 -10.149 12.027 1.00 0.00 C ATOM 535 O PRO A 52 -3.293 -10.161 11.250 1.00 0.00 O ATOM 536 CB PRO A 52 -3.496 -8.618 13.982 1.00 0.00 C ATOM 537 CG PRO A 52 -2.507 -8.988 15.129 1.00 0.00 C ATOM 538 CD PRO A 52 -1.861 -10.286 14.601 1.00 0.00 C ATOM 0 HA PRO A 52 -5.068 -10.111 13.969 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.987 -8.118 13.158 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.280 -7.944 14.328 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.768 -8.205 15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.023 -9.147 16.076 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.092 -10.093 13.853 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.394 -10.870 15.394 1.00 0.00 H new ATOM 546 N VAL A 53 -5.452 -10.303 11.635 1.00 0.00 N ATOM 547 CA VAL A 53 -5.810 -10.415 10.208 1.00 0.00 C ATOM 548 C VAL A 53 -5.375 -9.236 9.385 1.00 0.00 C ATOM 549 O VAL A 53 -5.449 -8.084 9.761 1.00 0.00 O ATOM 550 CB VAL A 53 -7.345 -10.693 10.169 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.195 -9.456 10.447 1.00 0.00 C ATOM 552 CG2 VAL A 53 -7.614 -11.247 8.801 1.00 0.00 C ATOM 0 H VAL A 53 -6.248 -10.358 12.271 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.268 -11.234 9.735 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.623 -11.389 10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.251 -9.723 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.959 -9.068 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.983 -8.693 9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.677 -11.467 8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.322 -10.515 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.039 -12.162 8.660 1.00 0.00 H new ATOM 562 N GLY A 54 -4.903 -9.625 8.235 1.00 0.00 N ATOM 563 CA GLY A 54 -4.353 -8.570 7.288 1.00 0.00 C ATOM 564 C GLY A 54 -2.828 -8.657 7.110 1.00 0.00 C ATOM 565 O GLY A 54 -2.276 -8.077 6.196 1.00 0.00 O ATOM 0 H GLY A 54 -4.866 -10.588 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.833 -8.677 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.613 -7.581 7.665 1.00 0.00 H new ATOM 569 N THR A 55 -2.187 -9.375 7.999 1.00 0.00 N ATOM 570 CA THR A 55 -0.725 -9.643 7.953 1.00 0.00 C ATOM 571 C THR A 55 -0.405 -10.031 6.495 1.00 0.00 C ATOM 572 O THR A 55 -1.197 -10.766 5.945 1.00 0.00 O ATOM 573 CB THR A 55 -0.596 -10.736 8.918 1.00 0.00 C ATOM 574 OG1 THR A 55 -0.817 -10.087 10.168 1.00 0.00 O ATOM 575 CG2 THR A 55 0.748 -11.184 9.120 1.00 0.00 C ATOM 0 H THR A 55 -2.651 -9.808 8.797 1.00 0.00 H new ATOM 0 HA THR A 55 -0.043 -8.831 8.206 1.00 0.00 H new ATOM 0 HB THR A 55 -1.236 -11.554 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.722 -10.289 10.486 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.756 -11.994 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.158 -11.541 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.355 -10.358 9.490 1.00 0.00 H new ATOM 583 N ILE A 56 0.663 -9.620 5.864 1.00 0.00 N ATOM 584 CA ILE A 56 0.774 -10.065 4.430 1.00 0.00 C ATOM 585 C ILE A 56 1.296 -11.491 4.320 1.00 0.00 C ATOM 586 O ILE A 56 2.454 -11.795 4.113 1.00 0.00 O ATOM 587 CB ILE A 56 1.693 -9.125 3.633 1.00 0.00 C ATOM 588 CG1 ILE A 56 1.165 -7.675 3.727 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.594 -9.632 2.168 1.00 0.00 C ATOM 590 CD1 ILE A 56 -0.255 -7.495 3.116 1.00 0.00 C ATOM 0 H ILE A 56 1.415 -9.040 6.236 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.231 -10.031 4.010 1.00 0.00 H new ATOM 0 HB ILE A 56 2.718 -9.125 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.144 -7.371 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.860 -7.009 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.222 -9.015 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.931 -10.667 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.559 -9.570 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.565 -6.455 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.235 -7.768 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.962 -8.136 3.643 1.00 0.00 H new ATOM 602 N VAL A 57 0.316 -12.323 4.484 1.00 0.00 N ATOM 603 CA VAL A 57 0.494 -13.801 4.424 1.00 0.00 C ATOM 604 C VAL A 57 -0.514 -14.356 3.426 1.00 0.00 C ATOM 605 O VAL A 57 -1.555 -13.820 3.104 1.00 0.00 O ATOM 606 CB VAL A 57 0.241 -14.537 5.803 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.757 -13.770 6.983 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.224 -14.994 5.996 1.00 0.00 C ATOM 0 H VAL A 57 -0.644 -12.030 4.665 1.00 0.00 H new ATOM 0 HA VAL A 57 1.531 -13.981 4.142 1.00 0.00 H new ATOM 0 HB VAL A 57 0.835 -15.449 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.553 -14.328 7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.832 -13.624 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.262 -12.800 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.326 -15.491 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.883 -14.127 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.497 -15.688 5.201 1.00 0.00 H new ATOM 618 N THR A 58 -0.093 -15.488 2.982 1.00 0.00 N ATOM 619 CA THR A 58 -0.776 -16.297 1.981 1.00 0.00 C ATOM 620 C THR A 58 -1.698 -17.387 2.545 1.00 0.00 C ATOM 621 O THR A 58 -1.828 -17.612 3.733 1.00 0.00 O ATOM 622 CB THR A 58 0.340 -16.866 1.120 1.00 0.00 C ATOM 623 OG1 THR A 58 1.619 -16.410 1.567 1.00 0.00 O ATOM 624 CG2 THR A 58 0.269 -16.329 -0.305 1.00 0.00 C ATOM 0 H THR A 58 0.775 -15.912 3.309 1.00 0.00 H new ATOM 0 HA THR A 58 -1.475 -15.682 1.414 1.00 0.00 H new ATOM 0 HB THR A 58 0.222 -17.948 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.320 -16.792 0.998 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.080 -16.755 -0.895 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.687 -16.604 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.363 -15.243 -0.290 1.00 0.00 H new ATOM 632 N MET A 59 -2.322 -18.063 1.620 1.00 0.00 N ATOM 633 CA MET A 59 -3.162 -19.259 1.929 1.00 0.00 C ATOM 634 C MET A 59 -2.023 -20.306 1.813 1.00 0.00 C ATOM 635 O MET A 59 -1.970 -21.134 0.923 1.00 0.00 O ATOM 636 CB MET A 59 -4.238 -19.402 0.820 1.00 0.00 C ATOM 637 CG MET A 59 -5.163 -20.581 1.153 1.00 0.00 C ATOM 638 SD MET A 59 -6.191 -20.384 2.628 1.00 0.00 S ATOM 639 CE MET A 59 -7.831 -20.727 1.941 1.00 0.00 C ATOM 0 H MET A 59 -2.283 -17.828 0.628 1.00 0.00 H new ATOM 0 HA MET A 59 -3.726 -19.290 2.861 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.818 -18.482 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.760 -19.562 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.817 -20.758 0.299 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.551 -21.475 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.580 -20.645 2.729 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.053 -20.007 1.153 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.848 -21.735 1.527 1.00 0.00 H new ATOM 649 N GLU A 60 -1.133 -20.174 2.757 1.00 0.00 N ATOM 650 CA GLU A 60 0.117 -20.968 2.834 1.00 0.00 C ATOM 651 C GLU A 60 0.064 -22.427 3.367 1.00 0.00 C ATOM 652 O GLU A 60 -0.791 -22.793 4.145 1.00 0.00 O ATOM 653 CB GLU A 60 1.047 -20.043 3.654 1.00 0.00 C ATOM 654 CG GLU A 60 0.461 -19.612 5.072 1.00 0.00 C ATOM 655 CD GLU A 60 1.463 -18.779 5.867 1.00 0.00 C ATOM 656 OE1 GLU A 60 1.627 -17.614 5.559 1.00 0.00 O ATOM 657 OE2 GLU A 60 2.076 -19.304 6.778 1.00 0.00 O ATOM 0 H GLU A 60 -1.234 -19.506 3.521 1.00 0.00 H new ATOM 0 HA GLU A 60 0.456 -21.207 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.000 -20.549 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.253 -19.145 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.455 -19.040 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.195 -20.502 5.642 1.00 0.00 H new ATOM 664 N TYR A 61 1.029 -23.219 2.931 1.00 0.00 N ATOM 665 CA TYR A 61 1.079 -24.667 3.281 1.00 0.00 C ATOM 666 C TYR A 61 2.261 -24.989 4.205 1.00 0.00 C ATOM 667 O TYR A 61 3.063 -25.890 4.000 1.00 0.00 O ATOM 668 CB TYR A 61 1.157 -25.461 1.955 1.00 0.00 C ATOM 669 CG TYR A 61 0.162 -26.610 2.010 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.279 -27.481 3.048 1.00 0.00 C ATOM 671 CD2 TYR A 61 -0.835 -26.793 1.076 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.589 -28.535 3.174 1.00 0.00 C ATOM 673 CE2 TYR A 61 -1.712 -27.858 1.202 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.591 -28.731 2.256 1.00 0.00 C ATOM 675 OH TYR A 61 -2.466 -29.773 2.434 1.00 0.00 O ATOM 0 H TYR A 61 1.795 -22.905 2.335 1.00 0.00 H new ATOM 0 HA TYR A 61 0.185 -24.949 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.933 -24.808 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.166 -25.843 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.062 -27.341 3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.932 -26.107 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.483 -29.218 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.493 -28.002 0.470 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.036 -29.593 3.211 1.00 0.00 H new ATOM 685 N ARG A 62 2.310 -24.196 5.242 1.00 0.00 N ATOM 686 CA ARG A 62 3.337 -24.435 6.296 1.00 0.00 C ATOM 687 C ARG A 62 2.449 -25.346 7.142 1.00 0.00 C ATOM 688 O ARG A 62 1.943 -25.001 8.183 1.00 0.00 O ATOM 689 CB ARG A 62 3.703 -23.118 7.037 1.00 0.00 C ATOM 690 CG ARG A 62 4.627 -22.219 6.179 1.00 0.00 C ATOM 691 CD ARG A 62 3.864 -21.689 4.968 1.00 0.00 C ATOM 692 NE ARG A 62 4.693 -20.631 4.287 1.00 0.00 N ATOM 693 CZ ARG A 62 4.209 -19.451 4.101 1.00 0.00 C ATOM 694 NH1 ARG A 62 3.990 -18.782 5.137 1.00 0.00 N ATOM 695 NH2 ARG A 62 3.961 -19.005 2.934 1.00 0.00 N ATOM 0 H ARG A 62 1.691 -23.402 5.404 1.00 0.00 H new ATOM 0 HA ARG A 62 4.310 -24.821 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.792 -22.573 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.198 -23.355 7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.997 -21.387 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.497 -22.787 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.648 -22.502 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.906 -21.273 5.280 1.00 0.00 H new ATOM 0 HE ARG A 62 5.639 -20.849 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.195 -19.180 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.607 -17.839 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.145 -19.586 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.578 -18.067 2.817 1.00 0.00 H new ATOM 709 N ILE A 63 2.286 -26.509 6.595 1.00 0.00 N ATOM 710 CA ILE A 63 1.417 -27.575 7.197 1.00 0.00 C ATOM 711 C ILE A 63 1.418 -27.829 8.734 1.00 0.00 C ATOM 712 O ILE A 63 0.649 -28.636 9.227 1.00 0.00 O ATOM 713 CB ILE A 63 1.781 -28.827 6.349 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.960 -30.065 6.725 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.269 -29.171 6.558 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.574 -29.873 6.670 1.00 0.00 C ATOM 0 H ILE A 63 2.733 -26.785 5.721 1.00 0.00 H new ATOM 0 HA ILE A 63 0.379 -27.246 7.145 1.00 0.00 H new ATOM 0 HB ILE A 63 1.562 -28.574 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.233 -30.881 6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.237 -30.374 7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.526 -30.048 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.885 -28.328 6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.449 -29.380 7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.067 -30.803 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.867 -29.083 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.870 -29.598 5.658 1.00 0.00 H new ATOM 728 N ASP A 64 2.253 -27.151 9.464 1.00 0.00 N ATOM 729 CA ASP A 64 2.262 -27.276 10.947 1.00 0.00 C ATOM 730 C ASP A 64 1.462 -26.047 11.502 1.00 0.00 C ATOM 731 O ASP A 64 1.336 -25.866 12.689 1.00 0.00 O ATOM 732 CB ASP A 64 3.762 -27.264 11.366 1.00 0.00 C ATOM 733 CG ASP A 64 4.272 -25.820 11.360 1.00 0.00 C ATOM 734 OD1 ASP A 64 3.913 -25.065 10.468 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.015 -25.515 12.271 1.00 0.00 O ATOM 0 H ASP A 64 2.944 -26.502 9.089 1.00 0.00 H new ATOM 0 HA ASP A 64 1.799 -28.184 11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.879 -27.700 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.349 -27.873 10.679 1.00 0.00 H new ATOM 740 N ARG A 65 0.922 -25.233 10.634 1.00 0.00 N ATOM 741 CA ARG A 65 0.314 -23.915 11.006 1.00 0.00 C ATOM 742 C ARG A 65 -1.139 -23.486 10.686 1.00 0.00 C ATOM 743 O ARG A 65 -1.406 -22.962 9.615 1.00 0.00 O ATOM 744 CB ARG A 65 1.271 -22.942 10.374 1.00 0.00 C ATOM 745 CG ARG A 65 1.007 -21.438 10.699 1.00 0.00 C ATOM 746 CD ARG A 65 1.535 -21.057 12.067 1.00 0.00 C ATOM 747 NE ARG A 65 2.967 -21.451 11.942 1.00 0.00 N ATOM 748 CZ ARG A 65 3.593 -22.078 12.864 1.00 0.00 C ATOM 749 NH1 ARG A 65 3.799 -21.546 14.006 1.00 0.00 N ATOM 750 NH2 ARG A 65 3.973 -23.237 12.548 1.00 0.00 N ATOM 0 H ARG A 65 0.875 -25.436 9.636 1.00 0.00 H new ATOM 0 HA ARG A 65 0.186 -23.970 12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.282 -23.193 10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.236 -23.074 9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.479 -20.814 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.064 -21.239 10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.417 -19.993 12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.028 -21.595 12.868 1.00 0.00 H new ATOM 0 HE ARG A 65 3.468 -21.211 11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.462 -20.603 14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.301 -22.064 14.727 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.773 -23.603 11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.480 -23.809 13.223 1.00 0.00 H new ATOM 764 N VAL A 66 -2.072 -23.650 11.589 1.00 0.00 N ATOM 765 CA VAL A 66 -3.427 -23.145 11.206 1.00 0.00 C ATOM 766 C VAL A 66 -3.466 -21.666 11.665 1.00 0.00 C ATOM 767 O VAL A 66 -4.365 -21.225 12.352 1.00 0.00 O ATOM 768 CB VAL A 66 -4.491 -23.981 11.902 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.758 -24.066 11.029 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.148 -25.409 11.909 1.00 0.00 C ATOM 0 H VAL A 66 -1.972 -24.078 12.509 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.619 -23.217 10.136 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.598 -23.520 12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.511 -24.667 11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.149 -23.063 10.857 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.511 -24.528 10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.934 -25.969 12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.052 -25.765 10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.204 -25.554 12.434 1.00 0.00 H new ATOM 780 N ARG A 67 -2.458 -20.919 11.237 1.00 0.00 N ATOM 781 CA ARG A 67 -2.305 -19.493 11.717 1.00 0.00 C ATOM 782 C ARG A 67 -3.614 -18.724 11.622 1.00 0.00 C ATOM 783 O ARG A 67 -4.187 -18.488 10.569 1.00 0.00 O ATOM 784 CB ARG A 67 -1.152 -18.756 10.931 1.00 0.00 C ATOM 785 CG ARG A 67 -1.354 -18.837 9.484 1.00 0.00 C ATOM 786 CD ARG A 67 -0.064 -18.483 8.696 1.00 0.00 C ATOM 787 NE ARG A 67 0.545 -17.195 9.188 1.00 0.00 N ATOM 788 CZ ARG A 67 1.826 -17.007 9.222 1.00 0.00 C ATOM 789 NH1 ARG A 67 2.489 -17.107 8.157 1.00 0.00 N ATOM 790 NH2 ARG A 67 2.398 -16.718 10.310 1.00 0.00 N ATOM 0 H ARG A 67 -1.742 -21.233 10.582 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.028 -19.529 12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.113 -17.710 11.236 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.191 -19.200 11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.676 -19.844 9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.155 -18.159 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.660 -19.292 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.297 -18.395 7.635 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.072 -16.447 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.017 -17.334 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.498 -16.961 8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.851 -16.632 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.407 -16.571 10.332 1.00 0.00 H new ATOM 804 N LEU A 68 -3.998 -18.376 12.818 1.00 0.00 N ATOM 805 CA LEU A 68 -5.297 -17.730 13.068 1.00 0.00 C ATOM 806 C LEU A 68 -5.344 -16.222 12.825 1.00 0.00 C ATOM 807 O LEU A 68 -5.005 -15.415 13.670 1.00 0.00 O ATOM 808 CB LEU A 68 -5.677 -18.073 14.524 1.00 0.00 C ATOM 809 CG LEU A 68 -5.650 -19.605 14.778 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.966 -19.874 16.227 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.687 -20.345 13.962 1.00 0.00 C ATOM 0 H LEU A 68 -3.437 -18.523 13.657 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.013 -18.115 12.342 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.986 -17.579 15.207 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.672 -17.685 14.742 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.656 -19.952 14.496 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.948 -20.948 16.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.223 -19.386 16.858 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.956 -19.482 16.462 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.626 -21.412 14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.681 -19.980 14.219 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.502 -20.177 12.901 1.00 0.00 H new ATOM 823 N PHE A 69 -5.745 -15.964 11.602 1.00 0.00 N ATOM 824 CA PHE A 69 -6.033 -14.572 11.178 1.00 0.00 C ATOM 825 C PHE A 69 -7.371 -14.139 11.804 1.00 0.00 C ATOM 826 O PHE A 69 -8.495 -14.360 11.363 1.00 0.00 O ATOM 827 CB PHE A 69 -5.959 -14.573 9.551 1.00 0.00 C ATOM 828 CG PHE A 69 -4.469 -14.550 9.406 1.00 0.00 C ATOM 829 CD1 PHE A 69 -3.952 -13.411 9.880 1.00 0.00 C ATOM 830 CD2 PHE A 69 -3.652 -15.521 8.932 1.00 0.00 C ATOM 831 CE1 PHE A 69 -2.640 -13.163 9.930 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.316 -15.315 8.960 1.00 0.00 C ATOM 833 CZ PHE A 69 -1.785 -14.144 9.448 1.00 0.00 C ATOM 0 H PHE A 69 -5.884 -16.670 10.879 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.319 -13.826 11.526 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.415 -15.457 9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.443 -13.705 9.103 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.630 -12.652 10.241 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.060 -16.441 8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.260 -12.235 10.330 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.653 -16.084 8.592 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.716 -13.990 9.456 1.00 0.00 H new ATOM 843 N VAL A 70 -7.084 -13.482 12.903 1.00 0.00 N ATOM 844 CA VAL A 70 -8.198 -13.033 13.810 1.00 0.00 C ATOM 845 C VAL A 70 -8.394 -11.543 13.704 1.00 0.00 C ATOM 846 O VAL A 70 -7.629 -10.859 13.067 1.00 0.00 O ATOM 847 CB VAL A 70 -7.901 -13.361 15.310 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.610 -14.832 15.531 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.696 -12.572 15.852 1.00 0.00 C ATOM 0 H VAL A 70 -6.143 -13.238 13.211 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.091 -13.570 13.491 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.808 -13.074 15.843 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.410 -15.009 16.588 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.471 -15.424 15.221 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.739 -15.123 14.944 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.530 -12.834 16.897 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.808 -12.819 15.270 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.896 -11.503 15.773 1.00 0.00 H new ATOM 859 N ASP A 71 -9.388 -11.027 14.348 1.00 0.00 N ATOM 860 CA ASP A 71 -9.632 -9.581 14.184 1.00 0.00 C ATOM 861 C ASP A 71 -9.003 -8.747 15.294 1.00 0.00 C ATOM 862 O ASP A 71 -7.919 -8.971 15.807 1.00 0.00 O ATOM 863 CB ASP A 71 -11.175 -9.422 14.110 1.00 0.00 C ATOM 864 CG ASP A 71 -11.815 -9.434 15.489 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.569 -10.387 16.204 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.483 -8.437 15.705 1.00 0.00 O ATOM 0 H ASP A 71 -10.028 -11.527 14.966 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.157 -9.203 13.279 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.419 -8.488 13.605 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.594 -10.229 13.509 1.00 0.00 H new ATOM 871 N LYS A 72 -9.803 -7.784 15.599 1.00 0.00 N ATOM 872 CA LYS A 72 -9.495 -6.776 16.636 1.00 0.00 C ATOM 873 C LYS A 72 -9.841 -7.231 18.043 1.00 0.00 C ATOM 874 O LYS A 72 -9.518 -6.596 19.022 1.00 0.00 O ATOM 875 CB LYS A 72 -10.258 -5.508 16.257 1.00 0.00 C ATOM 876 CG LYS A 72 -9.845 -4.971 14.866 1.00 0.00 C ATOM 877 CD LYS A 72 -10.848 -3.821 14.557 1.00 0.00 C ATOM 878 CE LYS A 72 -10.525 -3.065 13.275 1.00 0.00 C ATOM 879 NZ LYS A 72 -10.734 -3.980 12.108 1.00 0.00 N ATOM 0 H LYS A 72 -10.707 -7.645 15.148 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.419 -6.602 16.662 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.328 -5.715 16.262 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.079 -4.740 17.009 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.818 -4.606 14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.899 -5.754 14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.853 -4.236 14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.854 -3.120 15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.163 -2.186 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.495 -2.710 13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.532 -3.468 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.095 -4.797 12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.720 -4.311 12.099 1.00 0.00 H new ATOM 893 N LEU A 73 -10.489 -8.338 18.064 1.00 0.00 N ATOM 894 CA LEU A 73 -10.926 -9.018 19.323 1.00 0.00 C ATOM 895 C LEU A 73 -10.667 -10.556 19.208 1.00 0.00 C ATOM 896 O LEU A 73 -11.472 -11.419 19.490 1.00 0.00 O ATOM 897 CB LEU A 73 -12.403 -8.517 19.431 1.00 0.00 C ATOM 898 CG LEU A 73 -13.488 -9.341 18.725 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.176 -10.274 19.726 1.00 0.00 C ATOM 900 CD2 LEU A 73 -14.588 -8.402 18.201 1.00 0.00 C ATOM 0 H LEU A 73 -10.756 -8.840 17.217 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.394 -8.790 20.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.661 -8.458 20.488 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.443 -7.502 19.036 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.012 -9.901 17.920 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.944 -10.854 19.214 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.439 -10.950 20.159 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.635 -9.683 20.518 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.358 -8.988 17.700 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.031 -7.859 19.036 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.155 -7.693 17.496 1.00 0.00 H new ATOM 912 N ASP A 74 -9.464 -10.825 18.776 1.00 0.00 N ATOM 913 CA ASP A 74 -8.934 -12.201 18.555 1.00 0.00 C ATOM 914 C ASP A 74 -9.901 -13.259 17.982 1.00 0.00 C ATOM 915 O ASP A 74 -9.623 -14.445 18.042 1.00 0.00 O ATOM 916 CB ASP A 74 -8.309 -12.607 19.961 1.00 0.00 C ATOM 917 CG ASP A 74 -8.965 -13.837 20.596 1.00 0.00 C ATOM 918 OD1 ASP A 74 -10.122 -13.678 20.950 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.295 -14.848 20.685 1.00 0.00 O ATOM 0 H ASP A 74 -8.786 -10.096 18.554 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.209 -12.179 17.742 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.244 -12.800 19.833 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.400 -11.764 20.646 1.00 0.00 H new ATOM 924 N ASN A 75 -10.981 -12.803 17.415 1.00 0.00 N ATOM 925 CA ASN A 75 -11.994 -13.711 16.827 1.00 0.00 C ATOM 926 C ASN A 75 -11.772 -13.758 15.302 1.00 0.00 C ATOM 927 O ASN A 75 -11.444 -12.786 14.657 1.00 0.00 O ATOM 928 CB ASN A 75 -13.397 -13.160 17.228 1.00 0.00 C ATOM 929 CG ASN A 75 -13.753 -13.418 18.658 1.00 0.00 C ATOM 930 OD1 ASN A 75 -14.844 -13.159 19.112 1.00 0.00 O ATOM 931 ND2 ASN A 75 -12.860 -13.934 19.407 1.00 0.00 N ATOM 0 H ASN A 75 -11.207 -11.812 17.334 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.915 -14.734 17.194 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.423 -12.086 17.043 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.153 -13.612 16.586 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.066 -14.128 20.387 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.939 -14.153 19.026 1.00 0.00 H new ATOM 938 N ILE A 76 -11.970 -14.928 14.792 1.00 0.00 N ATOM 939 CA ILE A 76 -11.712 -15.298 13.394 1.00 0.00 C ATOM 940 C ILE A 76 -12.567 -14.614 12.388 1.00 0.00 C ATOM 941 O ILE A 76 -13.774 -14.722 12.273 1.00 0.00 O ATOM 942 CB ILE A 76 -11.803 -16.805 13.358 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.556 -17.086 14.273 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.621 -17.284 11.862 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.286 -18.485 14.504 1.00 0.00 C ATOM 0 H ILE A 76 -12.333 -15.705 15.344 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.725 -14.950 13.088 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.722 -17.295 13.681 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.677 -16.630 13.818 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.708 -16.595 15.234 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.684 -18.371 11.818 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.406 -16.850 11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.647 -16.962 11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.410 -18.586 15.145 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.146 -18.946 14.990 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.098 -18.981 13.552 1.00 0.00 H new ATOM 957 N ALA A 77 -11.733 -13.947 11.677 1.00 0.00 N ATOM 958 CA ALA A 77 -12.088 -12.983 10.655 1.00 0.00 C ATOM 959 C ALA A 77 -12.013 -13.638 9.274 1.00 0.00 C ATOM 960 O ALA A 77 -12.887 -13.478 8.446 1.00 0.00 O ATOM 961 CB ALA A 77 -11.077 -11.955 11.119 1.00 0.00 C ATOM 0 H ALA A 77 -10.724 -14.052 11.785 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.084 -12.554 10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.136 -11.073 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.292 -11.673 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.074 -12.379 11.061 1.00 0.00 H new ATOM 967 N GLN A 78 -10.951 -14.360 9.127 1.00 0.00 N ATOM 968 CA GLN A 78 -10.636 -15.110 7.874 1.00 0.00 C ATOM 969 C GLN A 78 -10.646 -16.551 8.384 1.00 0.00 C ATOM 970 O GLN A 78 -9.815 -16.783 9.245 1.00 0.00 O ATOM 971 CB GLN A 78 -9.242 -14.647 7.412 1.00 0.00 C ATOM 972 CG GLN A 78 -8.753 -15.571 6.259 1.00 0.00 C ATOM 973 CD GLN A 78 -7.292 -15.298 5.910 1.00 0.00 C ATOM 974 OE1 GLN A 78 -6.366 -15.709 6.580 1.00 0.00 O ATOM 975 NE2 GLN A 78 -7.031 -14.596 4.860 1.00 0.00 N ATOM 0 H GLN A 78 -10.248 -14.471 9.857 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.306 -14.974 7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.283 -13.612 7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.540 -14.681 8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.870 -16.614 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.375 -15.416 5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.793 -14.240 4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.063 -14.397 4.607 1.00 0.00 H new ATOM 984 N VAL A 79 -11.463 -17.499 7.961 1.00 0.00 N ATOM 985 CA VAL A 79 -11.224 -18.783 8.701 1.00 0.00 C ATOM 986 C VAL A 79 -9.898 -19.424 8.225 1.00 0.00 C ATOM 987 O VAL A 79 -9.592 -19.464 7.047 1.00 0.00 O ATOM 988 CB VAL A 79 -12.428 -19.774 8.558 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.018 -21.071 8.008 1.00 0.00 C ATOM 990 CG2 VAL A 79 -12.752 -20.155 10.102 1.00 0.00 C ATOM 0 H VAL A 79 -12.185 -17.460 7.241 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.139 -18.555 9.763 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.209 -19.327 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.887 -21.723 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.581 -20.926 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.280 -21.529 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.588 -20.853 10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.875 -20.617 10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.011 -19.251 10.653 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.145 -19.922 9.184 1.00 0.00 N ATOM 1001 CA PRO A 80 -7.771 -20.456 8.969 1.00 0.00 C ATOM 1002 C PRO A 80 -7.741 -21.898 8.453 1.00 0.00 C ATOM 1003 O PRO A 80 -8.745 -22.583 8.436 1.00 0.00 O ATOM 1004 CB PRO A 80 -7.111 -20.267 10.356 1.00 0.00 C ATOM 1005 CG PRO A 80 -8.194 -19.451 11.125 1.00 0.00 C ATOM 1006 CD PRO A 80 -9.466 -20.054 10.615 1.00 0.00 C ATOM 0 HA PRO A 80 -7.234 -19.936 8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.899 -21.220 10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.166 -19.727 10.288 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.096 -19.561 12.205 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.132 -18.385 10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.613 -21.087 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.357 -19.500 10.911 1.00 0.00 H new ATOM 1014 N ARG A 81 -6.565 -22.306 8.062 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.303 -23.647 7.470 1.00 0.00 C ATOM 1016 C ARG A 81 -4.923 -24.054 7.931 1.00 0.00 C ATOM 1017 O ARG A 81 -4.121 -23.180 8.201 1.00 0.00 O ATOM 1018 CB ARG A 81 -6.318 -23.607 5.902 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.610 -22.189 5.383 1.00 0.00 C ATOM 1020 CD ARG A 81 -5.363 -21.249 5.283 1.00 0.00 C ATOM 1021 NE ARG A 81 -4.524 -21.266 6.535 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.301 -20.278 7.335 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -4.570 -19.067 7.069 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.779 -20.552 8.461 1.00 0.00 N ATOM 0 H ARG A 81 -5.728 -21.727 8.135 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.078 -24.346 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.356 -23.946 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.073 -24.297 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.067 -22.267 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.345 -21.723 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.750 -21.554 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.695 -20.230 5.086 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.085 -22.154 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.991 -18.823 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.365 -18.337 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.556 -21.519 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.584 -19.805 9.128 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.648 -25.311 8.002 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.287 -25.730 8.426 1.00 0.00 C ATOM 1040 C VAL A 82 -2.409 -25.374 7.226 1.00 0.00 C ATOM 1041 O VAL A 82 -1.498 -24.571 7.245 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.232 -27.275 8.661 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -1.792 -27.518 8.867 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -3.852 -27.813 9.915 1.00 0.00 C ATOM 0 H VAL A 82 -5.296 -26.069 7.788 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.977 -25.252 9.355 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.762 -27.742 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.624 -28.580 9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.240 -27.206 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.446 -26.947 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.738 -28.897 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.358 -27.375 10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.912 -27.559 9.935 1.00 0.00 H new ATOM 1054 N GLY A 83 -2.838 -26.070 6.222 1.00 0.00 N ATOM 1055 CA GLY A 83 -2.262 -26.130 4.864 1.00 0.00 C ATOM 1056 C GLY A 83 -3.223 -27.078 4.124 1.00 0.00 C ATOM 1057 O GLY A 83 -3.829 -26.643 3.161 1.00 0.00 O ATOM 1058 OXT GLY A 83 -3.310 -28.211 4.576 1.00 0.00 O ATOM 0 H GLY A 83 -3.661 -26.666 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.226 -25.146 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.243 -26.516 4.874 1.00 0.00 H new