USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 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+ 133:sc= -3.65! (180deg=-5.54!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 30 LYS NZ :NH3+ -120:sc= 1.04 (180deg=-6.36!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.144 USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= -0.356 (180deg=-2.63!) USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.09) USER MOD Single : A 41 GLN : amide:sc= 0.666 K(o=0.67,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -1.17! (180deg=-3.83!) USER MOD Single : A 47 GLN : amide:sc= 0.964 K(o=0.96,f=-12!) USER MOD Single : A 55 THR OG1 : rot -143:sc= -1.53! USER MOD Single : A 58 THR OG1 : rot 91:sc= 0.135 USER MOD Single : A 59 MET CE :methyl -135:sc= -0.377 (180deg=-1.82) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.373 USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 1.1 (180deg=0.404) USER MOD Single : A 75 ASN : amide:sc= -3.16! K(o=-3.2!,f=-0.062) USER MOD Single : A 78 GLN : amide:sc= 0.259 K(o=0.26,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -9.731 -32.181 5.585 1.00 0.00 N ATOM 20 CA LYS A 21 -10.146 -30.945 6.277 1.00 0.00 C ATOM 21 C LYS A 21 -8.923 -30.063 6.521 1.00 0.00 C ATOM 22 O LYS A 21 -8.294 -30.099 7.560 1.00 0.00 O ATOM 23 CB LYS A 21 -10.835 -31.332 7.620 1.00 0.00 C ATOM 24 CG LYS A 21 -11.130 -30.041 8.444 1.00 0.00 C ATOM 25 CD LYS A 21 -11.885 -30.384 9.746 1.00 0.00 C ATOM 26 CE LYS A 21 -11.964 -29.104 10.591 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.522 -29.452 11.921 1.00 0.00 N ATOM 0 HA LYS A 21 -10.853 -30.383 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.762 -31.871 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.192 -32.002 8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.195 -29.535 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.723 -29.349 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.885 -30.756 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.367 -31.172 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.974 -28.660 10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.593 -28.363 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.942 -29.015 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.498 -29.100 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.517 -30.485 12.040 1.00 0.00 H new ATOM 41 N THR A 22 -8.595 -29.267 5.555 1.00 0.00 N ATOM 42 CA THR A 22 -7.457 -28.311 5.770 1.00 0.00 C ATOM 43 C THR A 22 -8.115 -26.988 6.158 1.00 0.00 C ATOM 44 O THR A 22 -7.516 -25.961 5.930 1.00 0.00 O ATOM 45 CB THR A 22 -6.655 -28.113 4.463 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.651 -27.860 3.485 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.018 -29.398 3.958 1.00 0.00 C ATOM 0 H THR A 22 -9.046 -29.226 4.641 1.00 0.00 H new ATOM 0 HA THR A 22 -6.766 -28.680 6.528 1.00 0.00 H new ATOM 0 HB THR A 22 -5.890 -27.355 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.225 -27.719 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.469 -29.195 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.333 -29.785 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.795 -30.136 3.761 1.00 0.00 H new ATOM 55 N GLU A 23 -9.301 -27.057 6.733 1.00 0.00 N ATOM 56 CA GLU A 23 -10.071 -25.840 7.156 1.00 0.00 C ATOM 57 C GLU A 23 -10.752 -26.013 8.525 1.00 0.00 C ATOM 58 O GLU A 23 -11.021 -27.121 8.950 1.00 0.00 O ATOM 59 CB GLU A 23 -11.151 -25.534 6.112 1.00 0.00 C ATOM 60 CG GLU A 23 -12.297 -26.642 6.125 1.00 0.00 C ATOM 61 CD GLU A 23 -13.556 -26.089 5.464 1.00 0.00 C ATOM 62 OE1 GLU A 23 -13.984 -25.074 5.987 1.00 0.00 O ATOM 63 OE2 GLU A 23 -14.010 -26.688 4.503 1.00 0.00 O ATOM 0 H GLU A 23 -9.778 -27.937 6.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.355 -25.023 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.586 -24.555 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.699 -25.486 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.960 -27.534 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.515 -26.942 7.150 1.00 0.00 H new ATOM 70 N TRP A 24 -11.014 -24.901 9.162 1.00 0.00 N ATOM 71 CA TRP A 24 -11.712 -24.931 10.492 1.00 0.00 C ATOM 72 C TRP A 24 -12.864 -23.957 10.758 1.00 0.00 C ATOM 73 O TRP A 24 -12.710 -22.944 11.415 1.00 0.00 O ATOM 74 CB TRP A 24 -10.628 -24.760 11.551 1.00 0.00 C ATOM 75 CG TRP A 24 -9.984 -26.069 11.826 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.431 -26.817 12.819 1.00 0.00 C ATOM 77 CD2 TRP A 24 -8.977 -26.658 11.195 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.647 -27.885 12.745 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.721 -27.873 11.782 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.239 -26.193 10.132 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.685 -28.632 11.275 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.218 -26.949 9.640 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.933 -28.170 10.205 1.00 0.00 C ATOM 0 H TRP A 24 -10.776 -23.969 8.822 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.238 -25.885 10.513 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -9.882 -24.042 11.209 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.061 -24.358 12.467 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.231 -26.611 13.514 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.746 -28.671 13.387 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.467 -25.234 9.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.459 -29.592 11.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.633 -26.590 8.807 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.123 -28.769 9.815 1.00 0.00 H new ATOM 94 N PRO A 25 -14.016 -24.269 10.240 1.00 0.00 N ATOM 95 CA PRO A 25 -15.205 -23.430 10.491 1.00 0.00 C ATOM 96 C PRO A 25 -15.808 -23.599 11.910 1.00 0.00 C ATOM 97 O PRO A 25 -16.416 -22.673 12.404 1.00 0.00 O ATOM 98 CB PRO A 25 -16.087 -23.837 9.323 1.00 0.00 C ATOM 99 CG PRO A 25 -15.782 -25.318 9.073 1.00 0.00 C ATOM 100 CD PRO A 25 -14.278 -25.430 9.338 1.00 0.00 C ATOM 0 HA PRO A 25 -15.018 -22.356 10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.141 -23.688 9.557 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.869 -23.237 8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.355 -25.963 9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.032 -25.611 8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.020 -26.377 9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.699 -25.366 8.417 1.00 0.00 H new ATOM 108 N GLU A 26 -15.635 -24.723 12.563 1.00 0.00 N ATOM 109 CA GLU A 26 -16.224 -24.937 13.939 1.00 0.00 C ATOM 110 C GLU A 26 -15.844 -23.759 14.870 1.00 0.00 C ATOM 111 O GLU A 26 -16.523 -23.357 15.792 1.00 0.00 O ATOM 112 CB GLU A 26 -15.671 -26.230 14.539 1.00 0.00 C ATOM 113 CG GLU A 26 -15.790 -27.494 13.640 1.00 0.00 C ATOM 114 CD GLU A 26 -14.735 -27.500 12.539 1.00 0.00 C ATOM 115 OE1 GLU A 26 -13.610 -27.131 12.826 1.00 0.00 O ATOM 116 OE2 GLU A 26 -15.047 -27.882 11.441 1.00 0.00 O ATOM 0 H GLU A 26 -15.105 -25.516 12.203 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.308 -24.998 13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.619 -26.076 14.781 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.189 -26.424 15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.682 -28.389 14.253 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.784 -27.531 13.193 1.00 0.00 H new ATOM 123 N LEU A 27 -14.705 -23.220 14.555 1.00 0.00 N ATOM 124 CA LEU A 27 -14.044 -22.116 15.267 1.00 0.00 C ATOM 125 C LEU A 27 -14.669 -20.755 14.927 1.00 0.00 C ATOM 126 O LEU A 27 -14.617 -19.881 15.773 1.00 0.00 O ATOM 127 CB LEU A 27 -12.603 -22.115 14.840 1.00 0.00 C ATOM 128 CG LEU A 27 -11.794 -23.412 14.991 1.00 0.00 C ATOM 129 CD1 LEU A 27 -12.451 -24.651 14.526 1.00 0.00 C ATOM 130 CD2 LEU A 27 -10.497 -23.043 14.292 1.00 0.00 C ATOM 0 H LEU A 27 -14.164 -23.542 13.752 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.155 -22.264 16.341 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.568 -21.823 13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.090 -21.337 15.405 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.654 -23.708 16.031 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.783 -25.498 14.684 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.373 -24.806 15.086 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.682 -24.564 13.464 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.813 -23.891 14.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.704 -22.783 13.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.042 -22.190 14.796 1.00 0.00 H new ATOM 142 N VAL A 28 -15.245 -20.572 13.767 1.00 0.00 N ATOM 143 CA VAL A 28 -15.786 -19.201 13.435 1.00 0.00 C ATOM 144 C VAL A 28 -16.660 -18.625 14.569 1.00 0.00 C ATOM 145 O VAL A 28 -17.486 -19.296 15.170 1.00 0.00 O ATOM 146 CB VAL A 28 -16.596 -19.300 12.124 1.00 0.00 C ATOM 147 CG1 VAL A 28 -17.128 -17.903 11.730 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.638 -19.701 11.006 1.00 0.00 C ATOM 0 H VAL A 28 -15.367 -21.284 13.047 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.947 -18.516 13.314 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.411 -20.011 12.264 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.699 -17.979 10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.772 -17.522 12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.289 -17.222 11.584 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.186 -19.778 10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.856 -18.948 10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.186 -20.664 11.242 1.00 0.00 H new ATOM 158 N GLY A 29 -16.429 -17.362 14.832 1.00 0.00 N ATOM 159 CA GLY A 29 -17.144 -16.662 15.959 1.00 0.00 C ATOM 160 C GLY A 29 -16.333 -16.745 17.271 1.00 0.00 C ATOM 161 O GLY A 29 -16.769 -16.281 18.302 1.00 0.00 O ATOM 0 H GLY A 29 -15.773 -16.778 14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.309 -15.617 15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.126 -17.112 16.106 1.00 0.00 H new ATOM 165 N LYS A 30 -15.172 -17.346 17.218 1.00 0.00 N ATOM 166 CA LYS A 30 -14.280 -17.512 18.431 1.00 0.00 C ATOM 167 C LYS A 30 -12.854 -16.991 18.250 1.00 0.00 C ATOM 168 O LYS A 30 -12.515 -16.693 17.136 1.00 0.00 O ATOM 169 CB LYS A 30 -14.195 -18.973 18.741 1.00 0.00 C ATOM 170 CG LYS A 30 -15.626 -19.445 19.118 1.00 0.00 C ATOM 171 CD LYS A 30 -15.715 -20.989 19.194 1.00 0.00 C ATOM 172 CE LYS A 30 -16.977 -21.423 18.437 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.784 -20.952 17.033 1.00 0.00 N ATOM 0 H LYS A 30 -14.785 -17.744 16.363 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.729 -16.922 19.230 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.821 -19.528 17.881 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.501 -19.153 19.562 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.910 -19.016 20.079 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.338 -19.075 18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.829 -21.445 18.753 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.760 -21.319 20.232 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.104 -22.505 18.474 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.871 -20.982 18.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.547 -20.292 16.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.867 -20.469 16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.804 -21.767 16.388 1.00 0.00 H new ATOM 187 N SER A 31 -12.092 -16.907 19.310 1.00 0.00 N ATOM 188 CA SER A 31 -10.640 -16.491 19.281 1.00 0.00 C ATOM 189 C SER A 31 -9.703 -17.610 19.052 1.00 0.00 C ATOM 190 O SER A 31 -10.019 -18.783 18.939 1.00 0.00 O ATOM 191 CB SER A 31 -10.333 -15.737 20.620 1.00 0.00 C ATOM 192 OG SER A 31 -11.413 -16.072 21.501 1.00 0.00 O ATOM 0 H SER A 31 -12.430 -17.120 20.248 1.00 0.00 H new ATOM 0 HA SER A 31 -10.484 -15.834 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.375 -16.049 21.036 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.275 -14.660 20.460 1.00 0.00 H new ATOM 0 HG SER A 31 -11.280 -15.629 22.365 1.00 0.00 H new ATOM 198 N VAL A 32 -8.501 -17.165 18.982 1.00 0.00 N ATOM 199 CA VAL A 32 -7.463 -18.100 18.583 1.00 0.00 C ATOM 200 C VAL A 32 -7.258 -19.310 19.516 1.00 0.00 C ATOM 201 O VAL A 32 -7.005 -20.403 19.060 1.00 0.00 O ATOM 202 CB VAL A 32 -6.272 -17.188 18.431 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.568 -17.002 19.798 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.280 -17.724 17.399 1.00 0.00 C ATOM 0 H VAL A 32 -8.200 -16.211 19.181 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.707 -18.643 17.670 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.634 -16.223 18.075 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.709 -16.342 19.678 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.267 -16.563 20.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.232 -17.970 20.169 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.435 -17.040 17.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.923 -18.705 17.712 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.773 -17.809 16.431 1.00 0.00 H new ATOM 214 N GLU A 33 -7.373 -19.122 20.801 1.00 0.00 N ATOM 215 CA GLU A 33 -7.179 -20.290 21.713 1.00 0.00 C ATOM 216 C GLU A 33 -8.293 -21.328 21.528 1.00 0.00 C ATOM 217 O GLU A 33 -8.031 -22.504 21.364 1.00 0.00 O ATOM 218 CB GLU A 33 -7.075 -19.682 23.141 1.00 0.00 C ATOM 219 CG GLU A 33 -5.771 -18.759 23.213 1.00 0.00 C ATOM 220 CD GLU A 33 -4.502 -19.402 22.616 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.279 -20.594 22.732 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.751 -18.650 22.025 1.00 0.00 O ATOM 0 H GLU A 33 -7.588 -18.234 21.254 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.274 -20.858 21.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.966 -19.096 23.368 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.018 -20.476 23.886 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.972 -17.825 22.688 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.578 -18.504 24.255 1.00 0.00 H new ATOM 229 N GLU A 34 -9.509 -20.873 21.527 1.00 0.00 N ATOM 230 CA GLU A 34 -10.664 -21.801 21.283 1.00 0.00 C ATOM 231 C GLU A 34 -10.441 -22.414 19.873 1.00 0.00 C ATOM 232 O GLU A 34 -10.648 -23.597 19.652 1.00 0.00 O ATOM 233 CB GLU A 34 -11.961 -20.973 21.399 1.00 0.00 C ATOM 234 CG GLU A 34 -12.358 -20.808 22.941 1.00 0.00 C ATOM 235 CD GLU A 34 -12.580 -22.159 23.663 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.314 -22.981 23.143 1.00 0.00 O ATOM 237 OE2 GLU A 34 -12.019 -22.379 24.725 1.00 0.00 O ATOM 0 H GLU A 34 -9.764 -19.898 21.684 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.742 -22.617 22.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.821 -19.993 20.943 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.768 -21.465 20.856 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.572 -20.254 23.454 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.267 -20.211 23.013 1.00 0.00 H new ATOM 244 N ALA A 35 -10.030 -21.616 18.918 1.00 0.00 N ATOM 245 CA ALA A 35 -9.677 -22.186 17.593 1.00 0.00 C ATOM 246 C ALA A 35 -8.653 -23.313 17.752 1.00 0.00 C ATOM 247 O ALA A 35 -8.910 -24.442 17.412 1.00 0.00 O ATOM 248 CB ALA A 35 -9.098 -21.067 16.747 1.00 0.00 C ATOM 0 H ALA A 35 -9.926 -20.605 19.002 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.562 -22.606 17.115 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.828 -21.456 15.765 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.839 -20.276 16.633 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.210 -20.665 17.234 1.00 0.00 H new ATOM 254 N LYS A 36 -7.511 -22.983 18.285 1.00 0.00 N ATOM 255 CA LYS A 36 -6.386 -23.931 18.475 1.00 0.00 C ATOM 256 C LYS A 36 -6.921 -25.206 19.052 1.00 0.00 C ATOM 257 O LYS A 36 -6.685 -26.288 18.562 1.00 0.00 O ATOM 258 CB LYS A 36 -5.384 -23.211 19.388 1.00 0.00 C ATOM 259 CG LYS A 36 -4.715 -22.101 18.541 1.00 0.00 C ATOM 260 CD LYS A 36 -3.999 -21.030 19.387 1.00 0.00 C ATOM 261 CE LYS A 36 -2.942 -21.635 20.276 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.277 -20.505 20.983 1.00 0.00 N ATOM 0 H LYS A 36 -7.306 -22.039 18.614 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.883 -24.211 17.549 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.890 -22.783 20.254 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.638 -23.909 19.767 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.995 -22.557 17.862 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.473 -21.619 17.924 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.541 -20.292 18.728 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.730 -20.501 19.999 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.387 -22.329 20.989 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.220 -22.202 19.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.308 -20.392 20.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.812 -19.629 20.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.245 -20.704 22.003 1.00 0.00 H new ATOM 276 N LYS A 37 -7.666 -24.972 20.085 1.00 0.00 N ATOM 277 CA LYS A 37 -8.312 -26.023 20.885 1.00 0.00 C ATOM 278 C LYS A 37 -9.036 -26.998 19.945 1.00 0.00 C ATOM 279 O LYS A 37 -8.885 -28.195 20.093 1.00 0.00 O ATOM 280 CB LYS A 37 -9.261 -25.301 21.862 1.00 0.00 C ATOM 281 CG LYS A 37 -9.933 -26.208 22.919 1.00 0.00 C ATOM 282 CD LYS A 37 -11.109 -25.348 23.444 1.00 0.00 C ATOM 283 CE LYS A 37 -11.868 -25.970 24.612 1.00 0.00 C ATOM 284 NZ LYS A 37 -12.796 -24.900 25.083 1.00 0.00 N ATOM 0 H LYS A 37 -7.861 -24.030 20.423 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.604 -26.623 21.456 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.700 -24.522 22.379 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.041 -24.803 21.285 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.284 -27.142 22.480 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.241 -26.472 23.719 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.724 -24.376 23.752 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.807 -25.169 22.626 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.416 -26.858 24.298 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.187 -26.279 25.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.317 -25.235 25.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.249 -24.052 25.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.469 -24.666 24.326 1.00 0.00 H new ATOM 298 N VAL A 38 -9.786 -26.450 19.025 1.00 0.00 N ATOM 299 CA VAL A 38 -10.507 -27.315 18.021 1.00 0.00 C ATOM 300 C VAL A 38 -9.586 -27.844 16.935 1.00 0.00 C ATOM 301 O VAL A 38 -9.585 -29.013 16.618 1.00 0.00 O ATOM 302 CB VAL A 38 -11.606 -26.565 17.262 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.269 -27.537 16.231 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.644 -25.962 18.187 1.00 0.00 C ATOM 0 H VAL A 38 -9.935 -25.447 18.919 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.919 -28.118 18.633 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.146 -25.727 16.737 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.053 -27.010 15.686 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.515 -27.892 15.529 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.702 -28.387 16.759 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.399 -25.442 17.597 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.118 -26.754 18.767 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.162 -25.256 18.863 1.00 0.00 H new ATOM 314 N ILE A 39 -8.825 -26.970 16.362 1.00 0.00 N ATOM 315 CA ILE A 39 -7.883 -27.334 15.274 1.00 0.00 C ATOM 316 C ILE A 39 -7.072 -28.537 15.633 1.00 0.00 C ATOM 317 O ILE A 39 -6.937 -29.458 14.865 1.00 0.00 O ATOM 318 CB ILE A 39 -6.972 -26.141 14.991 1.00 0.00 C ATOM 319 CG1 ILE A 39 -7.869 -25.040 14.482 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.041 -26.491 13.879 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.109 -23.869 13.853 1.00 0.00 C ATOM 0 H ILE A 39 -8.814 -25.981 16.610 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.455 -27.585 14.381 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.410 -25.858 15.881 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.555 -25.455 13.744 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.476 -24.667 15.307 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.387 -25.644 13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.438 -27.352 14.167 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.616 -26.733 12.985 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.819 -23.117 13.510 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.442 -23.428 14.594 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.524 -24.228 13.006 1.00 0.00 H new ATOM 333 N LEU A 40 -6.555 -28.471 16.808 1.00 0.00 N ATOM 334 CA LEU A 40 -5.732 -29.547 17.375 1.00 0.00 C ATOM 335 C LEU A 40 -6.536 -30.848 17.563 1.00 0.00 C ATOM 336 O LEU A 40 -5.959 -31.887 17.797 1.00 0.00 O ATOM 337 CB LEU A 40 -5.174 -28.868 18.645 1.00 0.00 C ATOM 338 CG LEU A 40 -4.258 -27.678 18.169 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.747 -26.837 19.348 1.00 0.00 C ATOM 340 CD2 LEU A 40 -3.043 -28.229 17.465 1.00 0.00 C ATOM 0 H LEU A 40 -6.677 -27.672 17.431 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.921 -29.916 16.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.985 -28.502 19.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.603 -29.579 19.243 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.864 -27.054 17.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.120 -26.028 18.973 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.595 -26.418 19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.163 -27.468 20.019 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.409 -27.406 17.135 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.484 -28.866 18.150 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.357 -28.813 16.600 1.00 0.00 H new ATOM 352 N GLN A 41 -7.834 -30.801 17.464 1.00 0.00 N ATOM 353 CA GLN A 41 -8.610 -32.085 17.539 1.00 0.00 C ATOM 354 C GLN A 41 -8.481 -32.776 16.170 1.00 0.00 C ATOM 355 O GLN A 41 -8.201 -33.952 16.047 1.00 0.00 O ATOM 356 CB GLN A 41 -10.098 -31.799 17.838 1.00 0.00 C ATOM 357 CG GLN A 41 -10.260 -31.018 19.173 1.00 0.00 C ATOM 358 CD GLN A 41 -9.518 -31.667 20.343 1.00 0.00 C ATOM 359 OE1 GLN A 41 -9.600 -32.840 20.627 1.00 0.00 O ATOM 360 NE2 GLN A 41 -8.767 -30.910 21.067 1.00 0.00 N ATOM 0 H GLN A 41 -8.388 -29.954 17.337 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.221 -32.717 18.337 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.532 -31.223 17.021 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.648 -32.738 17.893 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.894 -30.000 19.038 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.320 -30.946 19.418 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.681 -29.917 20.848 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.259 -31.303 21.859 1.00 0.00 H new ATOM 369 N ASP A 42 -8.698 -31.977 15.175 1.00 0.00 N ATOM 370 CA ASP A 42 -8.592 -32.422 13.750 1.00 0.00 C ATOM 371 C ASP A 42 -7.119 -32.721 13.376 1.00 0.00 C ATOM 372 O ASP A 42 -6.725 -33.760 12.882 1.00 0.00 O ATOM 373 CB ASP A 42 -9.152 -31.287 12.884 1.00 0.00 C ATOM 374 CG ASP A 42 -10.596 -31.018 13.184 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.422 -31.701 12.616 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.801 -30.108 13.968 1.00 0.00 O ATOM 0 H ASP A 42 -8.954 -30.996 15.286 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.153 -33.343 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.571 -30.380 13.053 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.042 -31.545 11.831 1.00 0.00 H new ATOM 381 N LYS A 43 -6.325 -31.736 13.653 1.00 0.00 N ATOM 382 CA LYS A 43 -4.877 -31.737 13.360 1.00 0.00 C ATOM 383 C LYS A 43 -4.016 -31.505 14.644 1.00 0.00 C ATOM 384 O LYS A 43 -3.395 -30.472 14.828 1.00 0.00 O ATOM 385 CB LYS A 43 -4.723 -30.653 12.299 1.00 0.00 C ATOM 386 CG LYS A 43 -3.381 -30.823 11.644 1.00 0.00 C ATOM 387 CD LYS A 43 -3.302 -29.848 10.455 1.00 0.00 C ATOM 388 CE LYS A 43 -2.078 -30.196 9.647 1.00 0.00 C ATOM 389 NZ LYS A 43 -0.901 -30.016 10.532 1.00 0.00 N ATOM 0 H LYS A 43 -6.646 -30.877 14.099 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.510 -32.698 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.519 -30.730 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.803 -29.664 12.751 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.581 -30.620 12.356 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.251 -31.850 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.199 -29.924 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.245 -28.819 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.134 -31.223 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.001 -29.554 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.188 -29.435 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.196 -29.542 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.493 -30.945 10.760 1.00 0.00 H new ATOM 403 N PRO A 44 -4.008 -32.500 15.507 1.00 0.00 N ATOM 404 CA PRO A 44 -3.231 -32.488 16.785 1.00 0.00 C ATOM 405 C PRO A 44 -1.941 -31.666 16.879 1.00 0.00 C ATOM 406 O PRO A 44 -1.730 -30.974 17.852 1.00 0.00 O ATOM 407 CB PRO A 44 -3.035 -33.973 17.039 1.00 0.00 C ATOM 408 CG PRO A 44 -4.431 -34.521 16.667 1.00 0.00 C ATOM 409 CD PRO A 44 -4.754 -33.794 15.356 1.00 0.00 C ATOM 0 HA PRO A 44 -3.782 -31.940 17.549 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.246 -34.397 16.418 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.772 -34.183 18.076 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.417 -35.603 16.535 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.168 -34.304 17.440 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.416 -34.357 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.825 -33.633 15.235 1.00 0.00 H new ATOM 417 N GLU A 45 -1.098 -31.747 15.892 1.00 0.00 N ATOM 418 CA GLU A 45 0.191 -31.015 15.895 1.00 0.00 C ATOM 419 C GLU A 45 0.225 -29.576 15.343 1.00 0.00 C ATOM 420 O GLU A 45 1.293 -29.008 15.185 1.00 0.00 O ATOM 421 CB GLU A 45 1.129 -31.970 15.141 1.00 0.00 C ATOM 422 CG GLU A 45 0.546 -32.635 13.818 1.00 0.00 C ATOM 423 CD GLU A 45 -0.068 -31.704 12.778 1.00 0.00 C ATOM 424 OE1 GLU A 45 0.163 -30.511 12.741 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.800 -32.247 11.971 1.00 0.00 O ATOM 0 H GLU A 45 -1.257 -32.310 15.056 1.00 0.00 H new ATOM 0 HA GLU A 45 0.477 -30.795 16.923 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.034 -31.423 14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.425 -32.767 15.823 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.350 -33.192 13.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.213 -33.360 14.111 1.00 0.00 H new ATOM 432 N ALA A 46 -0.901 -28.984 15.054 1.00 0.00 N ATOM 433 CA ALA A 46 -0.816 -27.584 14.520 1.00 0.00 C ATOM 434 C ALA A 46 -0.242 -26.509 15.522 1.00 0.00 C ATOM 435 O ALA A 46 -0.830 -26.158 16.528 1.00 0.00 O ATOM 436 CB ALA A 46 -2.228 -27.215 14.057 1.00 0.00 C ATOM 0 H ALA A 46 -1.836 -29.379 15.155 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.090 -27.572 13.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.226 -26.201 13.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.550 -27.910 13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.914 -27.270 14.902 1.00 0.00 H new ATOM 442 N GLN A 47 0.912 -25.975 15.227 1.00 0.00 N ATOM 443 CA GLN A 47 1.557 -24.949 16.110 1.00 0.00 C ATOM 444 C GLN A 47 0.910 -23.599 15.747 1.00 0.00 C ATOM 445 O GLN A 47 1.525 -22.702 15.196 1.00 0.00 O ATOM 446 CB GLN A 47 3.071 -24.951 15.813 1.00 0.00 C ATOM 447 CG GLN A 47 3.814 -23.881 16.678 1.00 0.00 C ATOM 448 CD GLN A 47 5.195 -23.591 16.102 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.394 -22.754 15.244 1.00 0.00 O ATOM 450 NE2 GLN A 47 6.208 -24.260 16.528 1.00 0.00 N ATOM 0 H GLN A 47 1.450 -26.210 14.393 1.00 0.00 H new ATOM 0 HA GLN A 47 1.420 -25.148 17.173 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.484 -25.939 16.017 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.238 -24.748 14.755 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.228 -22.963 16.712 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.909 -24.237 17.704 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.083 -24.972 17.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.136 -24.079 16.146 1.00 0.00 H new ATOM 459 N ILE A 48 -0.349 -23.498 16.074 1.00 0.00 N ATOM 460 CA ILE A 48 -1.051 -22.223 15.727 1.00 0.00 C ATOM 461 C ILE A 48 -0.818 -21.058 16.692 1.00 0.00 C ATOM 462 O ILE A 48 -0.828 -21.162 17.906 1.00 0.00 O ATOM 463 CB ILE A 48 -2.530 -22.472 15.641 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.867 -23.448 14.491 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.314 -21.143 15.429 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.518 -24.663 15.053 1.00 0.00 C ATOM 0 H ILE A 48 -0.907 -24.209 16.547 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.621 -21.919 14.773 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.833 -22.918 16.588 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.529 -22.966 13.772 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.959 -23.723 13.954 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.381 -21.356 15.371 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.123 -20.471 16.265 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.987 -20.671 14.502 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.757 -25.354 14.245 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.840 -25.147 15.756 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.434 -24.379 15.571 1.00 0.00 H new ATOM 478 N ILE A 49 -0.635 -19.954 16.020 1.00 0.00 N ATOM 479 CA ILE A 49 -0.371 -18.632 16.671 1.00 0.00 C ATOM 480 C ILE A 49 -1.478 -17.627 16.274 1.00 0.00 C ATOM 481 O ILE A 49 -2.366 -17.962 15.513 1.00 0.00 O ATOM 482 CB ILE A 49 1.054 -18.220 16.227 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.094 -18.558 17.337 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.189 -16.732 15.914 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.279 -20.087 17.502 1.00 0.00 C ATOM 0 H ILE A 49 -0.658 -19.911 15.001 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.403 -18.668 17.760 1.00 0.00 H new ATOM 0 HB ILE A 49 1.243 -18.785 15.314 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.052 -18.100 17.090 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.769 -18.126 18.284 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.213 -16.516 15.610 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.507 -16.467 15.106 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.944 -16.150 16.802 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.012 -20.282 18.285 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.327 -20.541 17.775 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.629 -20.515 16.563 1.00 0.00 H new ATOM 497 N VAL A 50 -1.425 -16.434 16.787 1.00 0.00 N ATOM 498 CA VAL A 50 -2.450 -15.413 16.429 1.00 0.00 C ATOM 499 C VAL A 50 -1.892 -14.488 15.336 1.00 0.00 C ATOM 500 O VAL A 50 -0.835 -13.896 15.455 1.00 0.00 O ATOM 501 CB VAL A 50 -2.803 -14.648 17.727 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.622 -13.812 18.282 1.00 0.00 C ATOM 503 CG2 VAL A 50 -4.005 -13.718 17.465 1.00 0.00 C ATOM 0 H VAL A 50 -0.712 -16.117 17.444 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.355 -15.865 16.024 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.047 -15.398 18.480 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.935 -13.300 19.192 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.783 -14.471 18.506 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.316 -13.076 17.539 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.254 -13.179 18.379 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.749 -13.005 16.681 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.863 -14.312 17.149 1.00 0.00 H new ATOM 513 N LEU A 51 -2.637 -14.406 14.272 1.00 0.00 N ATOM 514 CA LEU A 51 -2.270 -13.574 13.098 1.00 0.00 C ATOM 515 C LEU A 51 -3.431 -12.570 12.865 1.00 0.00 C ATOM 516 O LEU A 51 -4.368 -12.857 12.154 1.00 0.00 O ATOM 517 CB LEU A 51 -2.053 -14.559 11.906 1.00 0.00 C ATOM 518 CG LEU A 51 -0.567 -15.002 11.691 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.463 -16.037 10.531 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.286 -13.744 11.358 1.00 0.00 C ATOM 0 H LEU A 51 -3.521 -14.903 14.166 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.357 -12.993 13.229 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.663 -15.447 12.070 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.414 -14.088 10.992 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.197 -15.475 12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.578 -16.332 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.061 -16.916 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.833 -15.589 9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.324 -14.038 11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.095 -13.276 10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.227 -13.035 12.184 1.00 0.00 H new ATOM 532 N PRO A 52 -3.424 -11.407 13.468 1.00 0.00 N ATOM 533 CA PRO A 52 -4.533 -10.425 13.210 1.00 0.00 C ATOM 534 C PRO A 52 -4.757 -10.125 11.693 1.00 0.00 C ATOM 535 O PRO A 52 -3.830 -9.838 10.962 1.00 0.00 O ATOM 536 CB PRO A 52 -4.112 -9.203 14.062 1.00 0.00 C ATOM 537 CG PRO A 52 -2.575 -9.380 14.213 1.00 0.00 C ATOM 538 CD PRO A 52 -2.406 -10.888 14.428 1.00 0.00 C ATOM 0 HA PRO A 52 -5.517 -10.798 13.493 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.362 -8.264 13.568 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.613 -9.197 15.030 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.043 -9.039 13.325 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.186 -8.809 15.056 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.399 -11.231 14.192 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.613 -11.187 15.456 1.00 0.00 H new ATOM 546 N VAL A 53 -5.989 -10.205 11.242 1.00 0.00 N ATOM 547 CA VAL A 53 -6.349 -9.918 9.811 1.00 0.00 C ATOM 548 C VAL A 53 -5.682 -8.667 9.326 1.00 0.00 C ATOM 549 O VAL A 53 -5.936 -7.555 9.775 1.00 0.00 O ATOM 550 CB VAL A 53 -7.864 -9.835 9.671 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.139 -9.288 8.250 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.391 -11.279 9.650 1.00 0.00 C ATOM 0 H VAL A 53 -6.785 -10.465 11.825 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.987 -10.734 9.185 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.310 -9.232 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.215 -9.207 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.682 -8.304 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.714 -9.967 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.476 -11.269 9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.954 -11.813 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.116 -11.780 10.578 1.00 0.00 H new ATOM 562 N GLY A 54 -4.855 -9.000 8.374 1.00 0.00 N ATOM 563 CA GLY A 54 -3.924 -7.975 7.765 1.00 0.00 C ATOM 564 C GLY A 54 -2.415 -8.251 7.979 1.00 0.00 C ATOM 565 O GLY A 54 -1.620 -7.811 7.176 1.00 0.00 O ATOM 0 H GLY A 54 -4.775 -9.938 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.119 -7.920 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.162 -6.997 8.183 1.00 0.00 H new ATOM 569 N THR A 55 -2.037 -8.935 9.036 1.00 0.00 N ATOM 570 CA THR A 55 -0.626 -9.305 9.305 1.00 0.00 C ATOM 571 C THR A 55 -0.107 -10.104 8.095 1.00 0.00 C ATOM 572 O THR A 55 -0.268 -11.300 7.979 1.00 0.00 O ATOM 573 CB THR A 55 -0.721 -10.020 10.663 1.00 0.00 C ATOM 574 OG1 THR A 55 -0.714 -8.994 11.639 1.00 0.00 O ATOM 575 CG2 THR A 55 0.441 -10.745 10.948 1.00 0.00 C ATOM 0 H THR A 55 -2.688 -9.262 9.750 1.00 0.00 H new ATOM 0 HA THR A 55 0.110 -8.506 9.396 1.00 0.00 H new ATOM 0 HB THR A 55 -1.594 -10.673 10.653 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.207 -9.292 12.423 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.335 -11.236 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.600 -11.497 10.175 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.295 -10.068 10.976 1.00 0.00 H new ATOM 583 N ILE A 56 0.523 -9.398 7.193 1.00 0.00 N ATOM 584 CA ILE A 56 0.995 -10.032 5.922 1.00 0.00 C ATOM 585 C ILE A 56 1.810 -11.326 5.967 1.00 0.00 C ATOM 586 O ILE A 56 2.948 -11.432 6.382 1.00 0.00 O ATOM 587 CB ILE A 56 1.801 -8.952 5.096 1.00 0.00 C ATOM 588 CG1 ILE A 56 0.779 -8.026 4.398 1.00 0.00 C ATOM 589 CG2 ILE A 56 2.748 -9.552 4.015 1.00 0.00 C ATOM 590 CD1 ILE A 56 0.653 -6.737 5.181 1.00 0.00 C ATOM 0 H ILE A 56 0.733 -8.404 7.281 1.00 0.00 H new ATOM 0 HA ILE A 56 0.063 -10.366 5.466 1.00 0.00 H new ATOM 0 HB ILE A 56 2.439 -8.420 5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.100 -7.815 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.190 -8.520 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.263 -8.745 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.481 -10.201 4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.163 -10.131 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.067 -6.082 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.313 -6.958 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.623 -6.241 5.224 1.00 0.00 H new ATOM 602 N VAL A 57 1.082 -12.287 5.489 1.00 0.00 N ATOM 603 CA VAL A 57 1.588 -13.680 5.305 1.00 0.00 C ATOM 604 C VAL A 57 1.410 -14.138 3.831 1.00 0.00 C ATOM 605 O VAL A 57 0.879 -13.478 2.959 1.00 0.00 O ATOM 606 CB VAL A 57 0.812 -14.686 6.233 1.00 0.00 C ATOM 607 CG1 VAL A 57 1.043 -14.311 7.696 1.00 0.00 C ATOM 608 CG2 VAL A 57 -0.668 -14.628 5.799 1.00 0.00 C ATOM 0 H VAL A 57 0.111 -12.163 5.204 1.00 0.00 H new ATOM 0 HA VAL A 57 2.646 -13.678 5.568 1.00 0.00 H new ATOM 0 HB VAL A 57 1.162 -15.714 6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.506 -15.008 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.109 -14.359 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.680 -13.299 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.254 -15.311 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.044 -13.613 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.752 -14.920 4.752 1.00 0.00 H new ATOM 618 N THR A 58 1.904 -15.314 3.679 1.00 0.00 N ATOM 619 CA THR A 58 1.963 -16.164 2.466 1.00 0.00 C ATOM 620 C THR A 58 0.791 -17.159 2.384 1.00 0.00 C ATOM 621 O THR A 58 0.430 -17.657 3.426 1.00 0.00 O ATOM 622 CB THR A 58 3.280 -16.898 2.529 1.00 0.00 C ATOM 623 OG1 THR A 58 3.993 -16.461 3.684 1.00 0.00 O ATOM 624 CG2 THR A 58 4.211 -16.603 1.361 1.00 0.00 C ATOM 0 H THR A 58 2.335 -15.790 4.472 1.00 0.00 H new ATOM 0 HA THR A 58 1.884 -15.545 1.573 1.00 0.00 H new ATOM 0 HB THR A 58 3.024 -17.957 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.771 -17.039 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.135 -17.169 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.727 -16.892 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.438 -15.537 1.337 1.00 0.00 H new ATOM 632 N MET A 59 0.200 -17.485 1.263 1.00 0.00 N ATOM 633 CA MET A 59 -0.851 -18.563 1.291 1.00 0.00 C ATOM 634 C MET A 59 -0.074 -19.871 0.957 1.00 0.00 C ATOM 635 O MET A 59 -0.343 -20.594 0.015 1.00 0.00 O ATOM 636 CB MET A 59 -1.945 -18.261 0.240 1.00 0.00 C ATOM 637 CG MET A 59 -3.092 -19.312 0.420 1.00 0.00 C ATOM 638 SD MET A 59 -3.839 -19.493 2.065 1.00 0.00 S ATOM 639 CE MET A 59 -2.840 -20.868 2.709 1.00 0.00 C ATOM 0 H MET A 59 0.387 -17.069 0.351 1.00 0.00 H new ATOM 0 HA MET A 59 -1.365 -18.638 2.249 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.331 -17.250 0.371 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.532 -18.317 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.888 -19.060 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.702 -20.285 0.123 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.492 -21.596 3.191 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.307 -21.346 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.122 -20.487 3.435 1.00 0.00 H new ATOM 649 N GLU A 60 0.895 -20.079 1.816 1.00 0.00 N ATOM 650 CA GLU A 60 1.891 -21.185 1.787 1.00 0.00 C ATOM 651 C GLU A 60 1.346 -22.505 2.351 1.00 0.00 C ATOM 652 O GLU A 60 0.156 -22.640 2.560 1.00 0.00 O ATOM 653 CB GLU A 60 3.100 -20.664 2.611 1.00 0.00 C ATOM 654 CG GLU A 60 2.666 -20.355 4.121 1.00 0.00 C ATOM 655 CD GLU A 60 3.788 -19.872 5.054 1.00 0.00 C ATOM 656 OE1 GLU A 60 4.933 -19.982 4.679 1.00 0.00 O ATOM 657 OE2 GLU A 60 3.474 -19.404 6.139 1.00 0.00 O ATOM 0 H GLU A 60 1.040 -19.457 2.611 1.00 0.00 H new ATOM 0 HA GLU A 60 2.166 -21.430 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.899 -21.405 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.498 -19.760 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.881 -19.599 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.230 -21.259 4.546 1.00 0.00 H new ATOM 664 N TYR A 61 2.231 -23.456 2.563 1.00 0.00 N ATOM 665 CA TYR A 61 1.785 -24.721 3.210 1.00 0.00 C ATOM 666 C TYR A 61 2.806 -25.259 4.221 1.00 0.00 C ATOM 667 O TYR A 61 3.369 -26.336 4.070 1.00 0.00 O ATOM 668 CB TYR A 61 1.512 -25.803 2.154 1.00 0.00 C ATOM 669 CG TYR A 61 0.558 -26.805 2.820 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.755 -26.429 2.988 1.00 0.00 C ATOM 671 CD2 TYR A 61 0.959 -28.054 3.244 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.668 -27.290 3.568 1.00 0.00 C ATOM 673 CE2 TYR A 61 0.036 -28.923 3.829 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.286 -28.541 3.991 1.00 0.00 C ATOM 675 OH TYR A 61 -2.227 -29.379 4.565 1.00 0.00 O ATOM 0 H TYR A 61 3.220 -23.408 2.320 1.00 0.00 H new ATOM 0 HA TYR A 61 0.868 -24.482 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.064 -25.372 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.437 -26.290 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.076 -25.450 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.988 -28.360 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.694 -26.976 3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.355 -29.901 4.158 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.990 -30.312 4.380 1.00 0.00 H new ATOM 685 N ARG A 62 3.003 -24.459 5.237 1.00 0.00 N ATOM 686 CA ARG A 62 3.873 -24.926 6.347 1.00 0.00 C ATOM 687 C ARG A 62 2.803 -25.566 7.194 1.00 0.00 C ATOM 688 O ARG A 62 2.314 -25.107 8.210 1.00 0.00 O ATOM 689 CB ARG A 62 4.553 -23.747 7.103 1.00 0.00 C ATOM 690 CG ARG A 62 6.072 -23.949 6.937 1.00 0.00 C ATOM 691 CD ARG A 62 6.459 -23.544 5.504 1.00 0.00 C ATOM 692 NE ARG A 62 6.455 -22.038 5.457 1.00 0.00 N ATOM 693 CZ ARG A 62 7.011 -21.320 6.351 1.00 0.00 C ATOM 694 NH1 ARG A 62 8.241 -21.527 6.568 1.00 0.00 N ATOM 695 NH2 ARG A 62 6.301 -20.447 6.944 1.00 0.00 N ATOM 0 H ARG A 62 2.608 -23.525 5.343 1.00 0.00 H new ATOM 0 HA ARG A 62 4.711 -25.558 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.240 -22.788 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.273 -23.747 8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.617 -23.345 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.339 -24.989 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.443 -23.936 5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.752 -23.954 4.783 1.00 0.00 H new ATOM 0 HE ARG A 62 5.988 -21.574 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.739 -22.242 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.734 -20.979 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.317 -20.338 6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.716 -19.856 7.665 1.00 0.00 H new ATOM 709 N ILE A 63 2.436 -26.682 6.667 1.00 0.00 N ATOM 710 CA ILE A 63 1.388 -27.489 7.309 1.00 0.00 C ATOM 711 C ILE A 63 1.474 -27.627 8.835 1.00 0.00 C ATOM 712 O ILE A 63 0.501 -27.946 9.484 1.00 0.00 O ATOM 713 CB ILE A 63 1.440 -28.831 6.646 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.114 -29.557 7.005 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.747 -29.553 7.097 1.00 0.00 C ATOM 716 CD1 ILE A 63 0.368 -30.922 7.518 1.00 0.00 C ATOM 0 H ILE A 63 2.822 -27.075 5.808 1.00 0.00 H new ATOM 0 HA ILE A 63 0.438 -26.972 7.173 1.00 0.00 H new ATOM 0 HB ILE A 63 1.497 -28.792 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.427 -28.980 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.524 -29.611 6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.803 -30.533 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.612 -28.958 6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.741 -29.673 8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.580 -31.402 7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.887 -31.506 6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.985 -30.865 8.415 1.00 0.00 H new ATOM 728 N ASP A 64 2.620 -27.389 9.384 1.00 0.00 N ATOM 729 CA ASP A 64 2.837 -27.418 10.862 1.00 0.00 C ATOM 730 C ASP A 64 1.962 -26.316 11.538 1.00 0.00 C ATOM 731 O ASP A 64 2.015 -26.067 12.731 1.00 0.00 O ATOM 732 CB ASP A 64 4.338 -27.179 11.044 1.00 0.00 C ATOM 733 CG ASP A 64 4.743 -25.980 10.185 1.00 0.00 C ATOM 734 OD1 ASP A 64 5.077 -26.236 9.030 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.685 -24.878 10.722 1.00 0.00 O ATOM 0 H ASP A 64 3.460 -27.164 8.850 1.00 0.00 H new ATOM 0 HA ASP A 64 2.544 -28.358 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.568 -26.989 12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.902 -28.064 10.749 1.00 0.00 H new ATOM 740 N ARG A 65 1.172 -25.668 10.718 1.00 0.00 N ATOM 741 CA ARG A 65 0.291 -24.568 11.194 1.00 0.00 C ATOM 742 C ARG A 65 -1.042 -24.351 10.436 1.00 0.00 C ATOM 743 O ARG A 65 -1.177 -24.671 9.275 1.00 0.00 O ATOM 744 CB ARG A 65 1.161 -23.360 11.114 1.00 0.00 C ATOM 745 CG ARG A 65 0.607 -22.235 12.047 1.00 0.00 C ATOM 746 CD ARG A 65 1.605 -21.081 12.209 1.00 0.00 C ATOM 747 NE ARG A 65 2.986 -21.600 11.879 1.00 0.00 N ATOM 748 CZ ARG A 65 3.864 -21.806 12.795 1.00 0.00 C ATOM 749 NH1 ARG A 65 3.936 -21.048 13.824 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.676 -22.786 12.671 1.00 0.00 N ATOM 0 H ARG A 65 1.103 -25.863 9.719 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.073 -24.812 12.192 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.180 -23.616 11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.205 -23.001 10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.328 -21.852 11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.377 -22.656 13.026 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.341 -20.255 11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.578 -20.695 13.228 1.00 0.00 H new ATOM 0 HE ARG A 65 3.227 -21.791 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.290 -20.265 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.639 -21.227 14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.622 -23.393 11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.378 -22.961 13.390 1.00 0.00 H new ATOM 764 N VAL A 66 -1.993 -23.785 11.121 1.00 0.00 N ATOM 765 CA VAL A 66 -3.299 -23.449 10.498 1.00 0.00 C ATOM 766 C VAL A 66 -3.253 -21.927 10.624 1.00 0.00 C ATOM 767 O VAL A 66 -2.882 -21.424 11.671 1.00 0.00 O ATOM 768 CB VAL A 66 -4.429 -24.094 11.311 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.731 -24.173 10.540 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.152 -25.541 11.457 1.00 0.00 C ATOM 0 H VAL A 66 -1.917 -23.536 12.107 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.470 -23.794 9.478 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.492 -23.502 12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.495 -24.638 11.163 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.051 -23.169 10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.585 -24.770 9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.950 -26.008 12.034 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.099 -26.003 10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.202 -25.679 11.974 1.00 0.00 H new ATOM 780 N ARG A 67 -3.612 -21.210 9.607 1.00 0.00 N ATOM 781 CA ARG A 67 -3.482 -19.732 9.705 1.00 0.00 C ATOM 782 C ARG A 67 -4.790 -19.132 10.156 1.00 0.00 C ATOM 783 O ARG A 67 -5.838 -19.372 9.573 1.00 0.00 O ATOM 784 CB ARG A 67 -3.084 -19.237 8.343 1.00 0.00 C ATOM 785 CG ARG A 67 -2.259 -17.966 8.544 1.00 0.00 C ATOM 786 CD ARG A 67 -1.595 -17.586 7.246 1.00 0.00 C ATOM 787 NE ARG A 67 -0.865 -18.802 6.811 1.00 0.00 N ATOM 788 CZ ARG A 67 0.404 -18.850 6.688 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.985 -18.190 5.801 1.00 0.00 N ATOM 790 NH2 ARG A 67 1.098 -19.568 7.453 1.00 0.00 N ATOM 0 H ARG A 67 -3.983 -21.569 8.727 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.730 -19.441 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.503 -19.993 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.966 -19.031 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.900 -17.154 8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.507 -18.127 9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.331 -17.281 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.914 -16.746 7.383 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.404 -19.641 6.600 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.444 -17.604 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.000 -18.237 5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.647 -20.121 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.112 -19.598 7.344 1.00 0.00 H new ATOM 804 N LEU A 68 -4.642 -18.372 11.206 1.00 0.00 N ATOM 805 CA LEU A 68 -5.797 -17.718 11.840 1.00 0.00 C ATOM 806 C LEU A 68 -5.780 -16.208 11.640 1.00 0.00 C ATOM 807 O LEU A 68 -5.389 -15.469 12.522 1.00 0.00 O ATOM 808 CB LEU A 68 -5.785 -18.111 13.366 1.00 0.00 C ATOM 809 CG LEU A 68 -6.490 -19.482 13.575 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.812 -20.620 12.816 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.543 -19.850 15.038 1.00 0.00 C ATOM 0 H LEU A 68 -3.746 -18.179 11.653 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.721 -18.060 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.758 -18.164 13.727 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.290 -17.342 13.951 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.498 -19.356 13.180 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.348 -21.551 13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.821 -20.401 11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.782 -20.721 13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.041 -20.813 15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.529 -19.916 15.433 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.097 -19.087 15.585 1.00 0.00 H new ATOM 823 N PHE A 69 -6.150 -15.803 10.446 1.00 0.00 N ATOM 824 CA PHE A 69 -6.402 -14.353 10.285 1.00 0.00 C ATOM 825 C PHE A 69 -7.764 -14.092 10.972 1.00 0.00 C ATOM 826 O PHE A 69 -8.874 -14.351 10.528 1.00 0.00 O ATOM 827 CB PHE A 69 -6.314 -13.988 8.712 1.00 0.00 C ATOM 828 CG PHE A 69 -4.832 -13.843 8.649 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.372 -12.736 9.291 1.00 0.00 C ATOM 830 CD2 PHE A 69 -3.957 -14.723 8.086 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.057 -12.485 9.391 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.643 -14.460 8.199 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.164 -13.358 8.831 1.00 0.00 C ATOM 0 H PHE A 69 -6.281 -16.387 9.620 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.668 -13.698 10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.698 -14.777 8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.848 -13.074 8.451 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.078 -12.046 9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.307 -15.603 7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.707 -11.603 9.908 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.938 -15.156 7.768 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.101 -13.174 8.891 1.00 0.00 H new ATOM 843 N VAL A 70 -7.485 -13.546 12.139 1.00 0.00 N ATOM 844 CA VAL A 70 -8.547 -13.188 13.174 1.00 0.00 C ATOM 845 C VAL A 70 -8.846 -11.674 13.121 1.00 0.00 C ATOM 846 O VAL A 70 -8.239 -10.979 12.349 1.00 0.00 O ATOM 847 CB VAL A 70 -8.053 -13.536 14.627 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.626 -14.992 14.829 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.810 -12.711 14.982 1.00 0.00 C ATOM 0 H VAL A 70 -6.535 -13.323 12.435 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.443 -13.764 12.943 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.919 -13.321 15.252 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.302 -15.136 15.860 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.468 -15.651 14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.803 -15.227 14.153 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.481 -12.964 15.990 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.012 -12.933 14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.052 -11.649 14.935 1.00 0.00 H new ATOM 859 N ASP A 71 -9.716 -11.094 13.892 1.00 0.00 N ATOM 860 CA ASP A 71 -9.923 -9.623 13.723 1.00 0.00 C ATOM 861 C ASP A 71 -8.969 -8.818 14.611 1.00 0.00 C ATOM 862 O ASP A 71 -7.826 -9.141 14.877 1.00 0.00 O ATOM 863 CB ASP A 71 -11.418 -9.269 14.050 1.00 0.00 C ATOM 864 CG ASP A 71 -11.685 -8.947 15.508 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.399 -9.823 16.301 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.121 -7.821 15.674 1.00 0.00 O ATOM 0 H ASP A 71 -10.279 -11.550 14.610 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.704 -9.356 12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.717 -8.415 13.442 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.049 -10.107 13.755 1.00 0.00 H new ATOM 871 N LYS A 72 -9.524 -7.741 15.037 1.00 0.00 N ATOM 872 CA LYS A 72 -8.823 -6.777 15.913 1.00 0.00 C ATOM 873 C LYS A 72 -8.861 -7.098 17.427 1.00 0.00 C ATOM 874 O LYS A 72 -8.249 -6.443 18.242 1.00 0.00 O ATOM 875 CB LYS A 72 -9.444 -5.400 15.561 1.00 0.00 C ATOM 876 CG LYS A 72 -9.202 -4.860 14.074 1.00 0.00 C ATOM 877 CD LYS A 72 -9.462 -5.875 12.883 1.00 0.00 C ATOM 878 CE LYS A 72 -8.167 -6.667 12.507 1.00 0.00 C ATOM 879 NZ LYS A 72 -7.292 -5.830 11.604 1.00 0.00 N ATOM 0 H LYS A 72 -10.480 -7.472 14.806 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.750 -6.811 15.723 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.519 -5.458 15.731 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.051 -4.661 16.259 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.841 -3.990 13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.171 -4.514 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.248 -6.575 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.821 -5.329 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.620 -6.935 13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.433 -7.599 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.788 -6.449 10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.883 -5.159 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.602 -5.305 12.178 1.00 0.00 H new ATOM 893 N LEU A 73 -9.587 -8.113 17.725 1.00 0.00 N ATOM 894 CA LEU A 73 -9.730 -8.662 19.115 1.00 0.00 C ATOM 895 C LEU A 73 -9.680 -10.211 18.998 1.00 0.00 C ATOM 896 O LEU A 73 -10.456 -11.005 19.492 1.00 0.00 O ATOM 897 CB LEU A 73 -11.051 -8.007 19.589 1.00 0.00 C ATOM 898 CG LEU A 73 -12.371 -8.744 19.306 1.00 0.00 C ATOM 899 CD1 LEU A 73 -12.795 -9.633 20.490 1.00 0.00 C ATOM 900 CD2 LEU A 73 -13.460 -7.673 19.156 1.00 0.00 C ATOM 0 H LEU A 73 -10.127 -8.628 17.030 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.959 -8.441 19.853 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.979 -7.855 20.666 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.116 -7.020 19.131 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.240 -9.365 18.420 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.732 -10.136 20.250 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.022 -10.377 20.681 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.932 -9.016 21.378 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.417 -8.153 18.953 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.532 -7.095 20.078 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.206 -7.009 18.330 1.00 0.00 H new ATOM 912 N ASP A 74 -8.672 -10.575 18.266 1.00 0.00 N ATOM 913 CA ASP A 74 -8.364 -11.983 17.972 1.00 0.00 C ATOM 914 C ASP A 74 -9.567 -12.936 17.811 1.00 0.00 C ATOM 915 O ASP A 74 -9.494 -14.075 18.214 1.00 0.00 O ATOM 916 CB ASP A 74 -7.303 -12.403 19.111 1.00 0.00 C ATOM 917 CG ASP A 74 -7.768 -13.486 20.104 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.539 -13.112 20.970 1.00 0.00 O ATOM 919 OD2 ASP A 74 -7.330 -14.617 19.945 1.00 0.00 O ATOM 0 H ASP A 74 -8.021 -9.914 17.842 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.950 -12.082 16.969 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.395 -12.754 18.621 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.036 -11.511 19.677 1.00 0.00 H new ATOM 924 N ASN A 75 -10.654 -12.489 17.223 1.00 0.00 N ATOM 925 CA ASN A 75 -11.755 -13.465 16.970 1.00 0.00 C ATOM 926 C ASN A 75 -11.778 -13.763 15.449 1.00 0.00 C ATOM 927 O ASN A 75 -11.466 -12.958 14.590 1.00 0.00 O ATOM 928 CB ASN A 75 -13.098 -12.852 17.497 1.00 0.00 C ATOM 929 CG ASN A 75 -13.251 -13.010 18.990 1.00 0.00 C ATOM 930 OD1 ASN A 75 -14.311 -12.867 19.557 1.00 0.00 O ATOM 931 ND2 ASN A 75 -12.211 -13.309 19.669 1.00 0.00 N ATOM 0 H ASN A 75 -10.821 -11.530 16.919 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.607 -14.408 17.496 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.138 -11.794 17.240 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.937 -13.334 16.995 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.278 -13.425 20.680 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.314 -13.432 19.200 1.00 0.00 H new ATOM 938 N ILE A 76 -12.153 -14.970 15.164 1.00 0.00 N ATOM 939 CA ILE A 76 -12.167 -15.510 13.798 1.00 0.00 C ATOM 940 C ILE A 76 -13.241 -15.005 12.889 1.00 0.00 C ATOM 941 O ILE A 76 -14.390 -15.406 12.812 1.00 0.00 O ATOM 942 CB ILE A 76 -12.178 -17.007 13.940 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.796 -17.153 14.650 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.161 -17.590 12.469 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.457 -18.511 14.843 1.00 0.00 C ATOM 0 H ILE A 76 -12.467 -15.636 15.870 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.278 -15.150 13.281 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.003 -17.494 14.460 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.025 -16.665 14.053 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.824 -16.643 15.613 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.168 -18.679 12.509 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.041 -17.241 11.929 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.262 -17.252 11.954 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.489 -18.577 15.340 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.216 -18.991 15.461 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.404 -19.014 13.877 1.00 0.00 H new ATOM 957 N ALA A 77 -12.594 -14.085 12.258 1.00 0.00 N ATOM 958 CA ALA A 77 -13.013 -13.174 11.208 1.00 0.00 C ATOM 959 C ALA A 77 -13.180 -13.897 9.857 1.00 0.00 C ATOM 960 O ALA A 77 -14.182 -13.748 9.190 1.00 0.00 O ATOM 961 CB ALA A 77 -11.886 -12.169 11.387 1.00 0.00 C ATOM 0 H ALA A 77 -11.615 -13.920 12.491 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.998 -12.708 11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.004 -11.359 10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.917 -11.764 12.398 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.928 -12.663 11.223 1.00 0.00 H new ATOM 967 N GLN A 78 -12.181 -14.652 9.525 1.00 0.00 N ATOM 968 CA GLN A 78 -12.163 -15.429 8.237 1.00 0.00 C ATOM 969 C GLN A 78 -12.068 -16.904 8.655 1.00 0.00 C ATOM 970 O GLN A 78 -11.583 -17.157 9.740 1.00 0.00 O ATOM 971 CB GLN A 78 -10.929 -14.954 7.431 1.00 0.00 C ATOM 972 CG GLN A 78 -10.820 -15.754 6.082 1.00 0.00 C ATOM 973 CD GLN A 78 -9.509 -15.447 5.351 1.00 0.00 C ATOM 974 OE1 GLN A 78 -8.454 -15.949 5.680 1.00 0.00 O ATOM 975 NE2 GLN A 78 -9.503 -14.636 4.347 1.00 0.00 N ATOM 0 H GLN A 78 -11.347 -14.775 10.100 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.041 -15.287 7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.010 -13.887 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.024 -15.097 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.882 -16.823 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.664 -15.502 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.371 -14.195 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.630 -14.436 3.858 1.00 0.00 H new ATOM 984 N VAL A 79 -12.482 -17.879 7.882 1.00 0.00 N ATOM 985 CA VAL A 79 -12.287 -19.256 8.462 1.00 0.00 C ATOM 986 C VAL A 79 -10.774 -19.597 8.423 1.00 0.00 C ATOM 987 O VAL A 79 -10.087 -19.240 7.472 1.00 0.00 O ATOM 988 CB VAL A 79 -13.093 -20.318 7.647 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.772 -21.723 8.198 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.552 -20.170 8.047 1.00 0.00 C ATOM 0 H VAL A 79 -12.909 -17.806 6.958 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.651 -19.272 9.489 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.874 -20.194 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.330 -22.471 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.704 -21.917 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.055 -21.775 9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.155 -20.895 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.655 -20.346 9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.894 -19.162 7.811 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.266 -20.278 9.429 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.825 -20.649 9.529 1.00 0.00 C ATOM 1002 C PRO A 80 -8.580 -21.921 8.684 1.00 0.00 C ATOM 1003 O PRO A 80 -9.504 -22.664 8.406 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.606 -20.848 11.034 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.933 -20.349 11.648 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.970 -20.791 10.624 1.00 0.00 C ATOM 0 HA PRO A 80 -8.125 -19.909 9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.416 -21.893 11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.753 -20.275 11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.117 -20.792 12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.934 -19.267 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.122 -21.870 10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.948 -20.334 10.777 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.364 -22.187 8.288 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.133 -23.379 7.406 1.00 0.00 C ATOM 1016 C ARG A 81 -5.644 -23.723 7.446 1.00 0.00 C ATOM 1017 O ARG A 81 -4.892 -22.944 7.989 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.664 -22.994 6.000 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.566 -22.277 5.304 1.00 0.00 C ATOM 1020 CD ARG A 81 -7.072 -21.605 4.059 1.00 0.00 C ATOM 1021 NE ARG A 81 -7.902 -20.447 4.549 1.00 0.00 N ATOM 1022 CZ ARG A 81 -7.401 -19.304 4.839 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -6.331 -18.938 4.247 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -8.019 -18.597 5.709 1.00 0.00 N ATOM 0 H ARG A 81 -6.533 -21.646 8.528 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.659 -24.278 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.959 -23.883 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.548 -22.361 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.130 -21.534 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.773 -22.979 5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.248 -21.263 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.668 -22.290 3.455 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.908 -20.579 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.893 -19.551 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.914 -18.032 4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.873 -18.951 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.657 -17.680 5.971 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.249 -24.821 6.880 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.812 -25.218 6.969 1.00 0.00 C ATOM 1040 C VAL A 82 -2.868 -24.496 5.991 1.00 0.00 C ATOM 1041 O VAL A 82 -3.216 -24.268 4.847 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.702 -26.734 6.723 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.261 -27.139 6.957 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.560 -27.534 7.682 1.00 0.00 C ATOM 0 H VAL A 82 -5.849 -25.462 6.361 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.488 -24.926 7.968 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.038 -26.937 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.152 -28.211 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.614 -26.597 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.978 -26.901 7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.449 -28.597 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.244 -27.334 8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.605 -27.247 7.562 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.704 -24.168 6.504 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.641 -23.527 5.683 1.00 0.00 C ATOM 1056 C GLY A 83 -0.380 -22.104 6.185 1.00 0.00 C ATOM 1057 O GLY A 83 -0.941 -21.205 5.582 1.00 0.00 O ATOM 1058 OXT GLY A 83 0.350 -21.977 7.149 1.00 0.00 O ATOM 0 H GLY A 83 -1.447 -24.324 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.276 -24.114 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.943 -23.503 4.636 1.00 0.00 H new