USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 9:sc= 0.424 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.07) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.68 K(o=-2.7,f=-0.48) USER MOD Single : A 35 THR OG1 : rot -140:sc= -1.66! USER MOD Single : A 40 TYR OH : rot 180:sc= -0.769 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -121:sc= 0.00148 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.449 USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 0.908 (180deg=-0.0167) USER MOD Single : A 52 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 83:sc= 0.221! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.05 K(o=-1,f=-1.8) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 165:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.6!) USER MOD Single : A 92 SER OG : rot -75:sc= 0.644 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 95 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-0.83) USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 0.168 (180deg=0.0709) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 42:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.033 -16.862 15.459 1.00 0.00 N ATOM 2 CA GLY A 1 5.508 -18.204 15.284 1.00 0.00 C ATOM 3 C GLY A 1 4.054 -18.316 15.701 1.00 0.00 C ATOM 4 O GLY A 1 3.753 -18.720 16.824 1.00 0.00 O ATOM 0 H1 GLY A 1 7.029 -16.837 15.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.482 -16.196 14.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.965 -16.591 16.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.607 -18.496 14.239 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.105 -18.904 15.868 1.00 0.00 H new ATOM 8 N SER A 2 3.151 -17.955 14.795 1.00 0.00 N ATOM 9 CA SER A 2 1.722 -18.012 15.076 1.00 0.00 C ATOM 10 C SER A 2 1.373 -19.269 15.868 1.00 0.00 C ATOM 11 O SER A 2 0.645 -19.210 16.859 1.00 0.00 O ATOM 12 CB SER A 2 0.922 -17.979 13.772 1.00 0.00 C ATOM 13 OG SER A 2 -0.351 -17.388 13.969 1.00 0.00 O ATOM 0 H SER A 2 3.384 -17.620 13.860 1.00 0.00 H new ATOM 0 HA SER A 2 1.461 -17.141 15.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.474 -17.418 13.017 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.801 -18.993 13.391 1.00 0.00 H new ATOM 0 HG SER A 2 -0.842 -17.377 13.121 1.00 0.00 H new ATOM 19 N SER A 3 1.899 -20.406 15.423 1.00 0.00 N ATOM 20 CA SER A 3 1.641 -21.678 16.086 1.00 0.00 C ATOM 21 C SER A 3 0.162 -21.820 16.433 1.00 0.00 C ATOM 22 O SER A 3 -0.191 -22.278 17.519 1.00 0.00 O ATOM 23 CB SER A 3 2.488 -21.797 17.355 1.00 0.00 C ATOM 24 OG SER A 3 2.750 -23.154 17.668 1.00 0.00 O ATOM 0 H SER A 3 2.506 -20.472 14.606 1.00 0.00 H new ATOM 0 HA SER A 3 1.914 -22.479 15.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.429 -21.264 17.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.970 -21.322 18.188 1.00 0.00 H new ATOM 0 HG SER A 3 3.294 -23.203 18.482 1.00 0.00 H new ATOM 30 N GLY A 4 -0.699 -21.424 15.501 1.00 0.00 N ATOM 31 CA GLY A 4 -2.130 -21.514 15.726 1.00 0.00 C ATOM 32 C GLY A 4 -2.845 -22.262 14.619 1.00 0.00 C ATOM 33 O GLY A 4 -2.489 -23.395 14.295 1.00 0.00 O ATOM 0 H GLY A 4 -0.431 -21.042 14.594 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.314 -22.015 16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.545 -20.510 15.809 1.00 0.00 H new ATOM 37 N SER A 5 -3.858 -21.628 14.037 1.00 0.00 N ATOM 38 CA SER A 5 -4.629 -22.243 12.963 1.00 0.00 C ATOM 39 C SER A 5 -3.751 -22.499 11.742 1.00 0.00 C ATOM 40 O SER A 5 -2.929 -21.663 11.368 1.00 0.00 O ATOM 41 CB SER A 5 -5.810 -21.349 12.577 1.00 0.00 C ATOM 42 OG SER A 5 -6.810 -21.365 13.581 1.00 0.00 O ATOM 0 H SER A 5 -4.164 -20.689 14.291 1.00 0.00 H new ATOM 0 HA SER A 5 -5.009 -23.199 13.323 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.462 -20.328 12.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.234 -21.688 11.632 1.00 0.00 H new ATOM 0 HG SER A 5 -7.553 -20.785 13.312 1.00 0.00 H new ATOM 48 N SER A 6 -3.932 -23.663 11.125 1.00 0.00 N ATOM 49 CA SER A 6 -3.154 -24.033 9.948 1.00 0.00 C ATOM 50 C SER A 6 -3.937 -24.993 9.059 1.00 0.00 C ATOM 51 O SER A 6 -4.488 -25.986 9.533 1.00 0.00 O ATOM 52 CB SER A 6 -1.829 -24.673 10.367 1.00 0.00 C ATOM 53 OG SER A 6 -0.940 -23.705 10.898 1.00 0.00 O ATOM 0 H SER A 6 -4.610 -24.365 11.420 1.00 0.00 H new ATOM 0 HA SER A 6 -2.947 -23.126 9.380 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.015 -25.447 11.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.369 -25.161 9.507 1.00 0.00 H new ATOM 0 HG SER A 6 -1.413 -22.854 11.012 1.00 0.00 H new ATOM 59 N GLY A 7 -3.983 -24.689 7.765 1.00 0.00 N ATOM 60 CA GLY A 7 -4.701 -25.535 6.829 1.00 0.00 C ATOM 61 C GLY A 7 -5.978 -24.890 6.328 1.00 0.00 C ATOM 62 O GLY A 7 -7.056 -25.127 6.873 1.00 0.00 O ATOM 0 H GLY A 7 -3.536 -23.872 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.055 -25.763 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.941 -26.483 7.311 1.00 0.00 H new ATOM 66 N MET A 8 -5.857 -24.071 5.288 1.00 0.00 N ATOM 67 CA MET A 8 -7.012 -23.390 4.715 1.00 0.00 C ATOM 68 C MET A 8 -6.754 -23.016 3.259 1.00 0.00 C ATOM 69 O MET A 8 -5.687 -22.504 2.919 1.00 0.00 O ATOM 70 CB MET A 8 -7.346 -22.136 5.525 1.00 0.00 C ATOM 71 CG MET A 8 -6.379 -20.987 5.292 1.00 0.00 C ATOM 72 SD MET A 8 -6.395 -19.783 6.634 1.00 0.00 S ATOM 73 CE MET A 8 -7.671 -18.662 6.067 1.00 0.00 C ATOM 0 H MET A 8 -4.972 -23.863 4.826 1.00 0.00 H new ATOM 0 HA MET A 8 -7.861 -24.073 4.752 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.354 -21.808 5.273 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.349 -22.388 6.585 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.370 -21.384 5.177 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.633 -20.487 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.799 -17.859 6.793 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.382 -18.239 5.105 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.610 -19.205 5.957 1.00 0.00 H new ATOM 83 N SER A 9 -7.738 -23.273 2.403 1.00 0.00 N ATOM 84 CA SER A 9 -7.615 -22.966 0.982 1.00 0.00 C ATOM 85 C SER A 9 -8.553 -21.829 0.589 1.00 0.00 C ATOM 86 O SER A 9 -8.894 -21.667 -0.583 1.00 0.00 O ATOM 87 CB SER A 9 -7.921 -24.208 0.142 1.00 0.00 C ATOM 88 OG SER A 9 -6.746 -24.963 -0.099 1.00 0.00 O ATOM 0 H SER A 9 -8.629 -23.693 2.668 1.00 0.00 H new ATOM 0 HA SER A 9 -6.589 -22.650 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.656 -24.827 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.366 -23.909 -0.807 1.00 0.00 H new ATOM 0 HG SER A 9 -6.969 -25.752 -0.636 1.00 0.00 H new ATOM 94 N LEU A 10 -8.966 -21.043 1.577 1.00 0.00 N ATOM 95 CA LEU A 10 -9.864 -19.919 1.337 1.00 0.00 C ATOM 96 C LEU A 10 -9.174 -18.837 0.512 1.00 0.00 C ATOM 97 O LEU A 10 -7.984 -18.934 0.214 1.00 0.00 O ATOM 98 CB LEU A 10 -10.348 -19.334 2.665 1.00 0.00 C ATOM 99 CG LEU A 10 -11.627 -19.943 3.240 1.00 0.00 C ATOM 100 CD1 LEU A 10 -12.806 -19.682 2.316 1.00 0.00 C ATOM 101 CD2 LEU A 10 -11.449 -21.437 3.472 1.00 0.00 C ATOM 0 H LEU A 10 -8.693 -21.163 2.552 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.723 -20.286 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.552 -19.448 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.507 -18.264 2.531 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.833 -19.468 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.707 -20.123 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.947 -18.607 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.610 -20.128 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.369 -21.854 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.218 -21.927 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.632 -21.601 4.175 1.00 0.00 H new ATOM 113 N SER A 11 -9.930 -17.806 0.148 1.00 0.00 N ATOM 114 CA SER A 11 -9.391 -16.706 -0.643 1.00 0.00 C ATOM 115 C SER A 11 -8.272 -15.992 0.109 1.00 0.00 C ATOM 116 O SER A 11 -8.355 -15.790 1.321 1.00 0.00 O ATOM 117 CB SER A 11 -10.500 -15.712 -0.994 1.00 0.00 C ATOM 118 OG SER A 11 -11.521 -16.334 -1.755 1.00 0.00 O ATOM 0 H SER A 11 -10.917 -17.710 0.388 1.00 0.00 H new ATOM 0 HA SER A 11 -8.979 -17.121 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.925 -15.298 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.080 -14.878 -1.556 1.00 0.00 H new ATOM 0 HG SER A 11 -12.218 -15.678 -1.965 1.00 0.00 H new ATOM 124 N ASP A 12 -7.227 -15.613 -0.618 1.00 0.00 N ATOM 125 CA ASP A 12 -6.091 -14.921 -0.021 1.00 0.00 C ATOM 126 C ASP A 12 -5.723 -13.682 -0.832 1.00 0.00 C ATOM 127 O ASP A 12 -4.869 -13.739 -1.717 1.00 0.00 O ATOM 128 CB ASP A 12 -4.888 -15.859 0.074 1.00 0.00 C ATOM 129 CG ASP A 12 -4.855 -16.876 -1.050 1.00 0.00 C ATOM 130 OD1 ASP A 12 -4.466 -16.502 -2.176 1.00 0.00 O ATOM 131 OD2 ASP A 12 -5.221 -18.045 -0.804 1.00 0.00 O ATOM 0 H ASP A 12 -7.143 -15.773 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.376 -14.605 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.970 -15.271 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.912 -16.380 1.031 1.00 0.00 H new ATOM 136 N TRP A 13 -6.373 -12.565 -0.524 1.00 0.00 N ATOM 137 CA TRP A 13 -6.114 -11.313 -1.225 1.00 0.00 C ATOM 138 C TRP A 13 -4.693 -10.826 -0.963 1.00 0.00 C ATOM 139 O TRP A 13 -4.344 -10.480 0.166 1.00 0.00 O ATOM 140 CB TRP A 13 -7.121 -10.245 -0.794 1.00 0.00 C ATOM 141 CG TRP A 13 -6.914 -8.925 -1.472 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.858 -8.075 -1.306 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.787 -8.303 -2.421 1.00 0.00 C ATOM 144 NE1 TRP A 13 -6.022 -6.962 -2.096 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.197 -7.079 -2.790 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.008 -8.663 -2.998 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.788 -6.214 -3.707 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.594 -7.804 -3.907 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.984 -6.591 -4.256 1.00 0.00 C ATOM 0 H TRP A 13 -7.083 -12.501 0.206 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.224 -11.495 -2.294 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.129 -10.600 -1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.053 -10.106 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.018 -8.251 -0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.374 -6.177 -2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.485 -9.596 -2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.319 -5.279 -3.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.539 -8.071 -4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.467 -5.942 -4.971 1.00 0.00 H new ATOM 160 N HIS A 14 -3.878 -10.799 -2.012 1.00 0.00 N ATOM 161 CA HIS A 14 -2.494 -10.353 -1.894 1.00 0.00 C ATOM 162 C HIS A 14 -2.154 -9.344 -2.987 1.00 0.00 C ATOM 163 O HIS A 14 -2.704 -9.395 -4.087 1.00 0.00 O ATOM 164 CB HIS A 14 -1.542 -11.547 -1.973 1.00 0.00 C ATOM 165 CG HIS A 14 -1.333 -12.056 -3.366 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.315 -12.703 -4.086 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.247 -12.008 -4.172 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.841 -13.033 -5.274 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.588 -12.622 -5.352 1.00 0.00 N ATOM 0 H HIS A 14 -4.152 -11.081 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.376 -9.868 -0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.578 -11.261 -1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.934 -12.355 -1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.710 -11.569 -3.932 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.385 -13.551 -6.050 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.026 -12.741 -6.158 1.00 0.00 H new ATOM 178 N LEU A 15 -1.245 -8.426 -2.675 1.00 0.00 N ATOM 179 CA LEU A 15 -0.831 -7.404 -3.630 1.00 0.00 C ATOM 180 C LEU A 15 0.688 -7.281 -3.673 1.00 0.00 C ATOM 181 O LEU A 15 1.380 -7.689 -2.740 1.00 0.00 O ATOM 182 CB LEU A 15 -1.453 -6.055 -3.265 1.00 0.00 C ATOM 183 CG LEU A 15 -1.718 -5.100 -4.429 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.746 -5.692 -5.381 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.183 -3.746 -3.913 1.00 0.00 C ATOM 0 H LEU A 15 -0.781 -8.369 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.180 -7.703 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.396 -6.240 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.795 -5.555 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.786 -4.957 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.922 -4.999 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.374 -6.637 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.680 -5.865 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.367 -3.079 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.103 -3.871 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.413 -3.317 -3.272 1.00 0.00 H new ATOM 197 N ALA A 16 1.201 -6.715 -4.760 1.00 0.00 N ATOM 198 CA ALA A 16 2.638 -6.534 -4.922 1.00 0.00 C ATOM 199 C ALA A 16 3.052 -5.104 -4.592 1.00 0.00 C ATOM 200 O ALA A 16 2.325 -4.154 -4.882 1.00 0.00 O ATOM 201 CB ALA A 16 3.059 -6.894 -6.339 1.00 0.00 C ATOM 0 H ALA A 16 0.642 -6.374 -5.542 1.00 0.00 H new ATOM 0 HA ALA A 16 3.144 -7.201 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.135 -6.754 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.807 -7.935 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.537 -6.251 -7.048 1.00 0.00 H new ATOM 207 N VAL A 17 4.226 -4.958 -3.984 1.00 0.00 N ATOM 208 CA VAL A 17 4.737 -3.643 -3.615 1.00 0.00 C ATOM 209 C VAL A 17 6.095 -3.382 -4.256 1.00 0.00 C ATOM 210 O VAL A 17 6.990 -4.226 -4.208 1.00 0.00 O ATOM 211 CB VAL A 17 4.866 -3.500 -2.087 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.507 -2.168 -1.728 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.506 -3.644 -1.421 1.00 0.00 C ATOM 0 H VAL A 17 4.840 -5.734 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 17 4.019 -2.909 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 17 5.511 -4.298 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.590 -2.084 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.500 -2.110 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.891 -1.353 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.617 -3.540 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.835 -2.870 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.091 -4.625 -1.650 1.00 0.00 H new ATOM 223 N LYS A 18 6.243 -2.206 -4.856 1.00 0.00 N ATOM 224 CA LYS A 18 7.493 -1.830 -5.506 1.00 0.00 C ATOM 225 C LYS A 18 7.912 -0.419 -5.107 1.00 0.00 C ATOM 226 O LYS A 18 7.076 0.480 -4.997 1.00 0.00 O ATOM 227 CB LYS A 18 7.348 -1.919 -7.027 1.00 0.00 C ATOM 228 CG LYS A 18 7.269 -3.344 -7.548 1.00 0.00 C ATOM 229 CD LYS A 18 8.637 -4.004 -7.576 1.00 0.00 C ATOM 230 CE LYS A 18 9.603 -3.249 -8.477 1.00 0.00 C ATOM 231 NZ LYS A 18 10.669 -4.137 -9.015 1.00 0.00 N ATOM 0 H LYS A 18 5.512 -1.496 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 18 8.266 -2.525 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.450 -1.380 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.195 -1.417 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.596 -3.926 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.844 -3.342 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.041 -4.049 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.539 -5.032 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.053 -2.800 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.059 -2.432 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.306 -3.585 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.211 -4.546 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.236 -4.902 -9.571 1.00 0.00 H new ATOM 245 N LEU A 19 9.209 -0.230 -4.892 1.00 0.00 N ATOM 246 CA LEU A 19 9.739 1.073 -4.506 1.00 0.00 C ATOM 247 C LEU A 19 10.150 1.879 -5.734 1.00 0.00 C ATOM 248 O LEU A 19 11.168 1.594 -6.363 1.00 0.00 O ATOM 249 CB LEU A 19 10.936 0.902 -3.570 1.00 0.00 C ATOM 250 CG LEU A 19 11.323 2.129 -2.743 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.190 2.521 -1.807 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.598 1.862 -1.957 1.00 0.00 C ATOM 0 H LEU A 19 9.913 -0.963 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 19 8.952 1.617 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.722 0.081 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.798 0.604 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 19 11.507 2.959 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.484 3.396 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.300 2.755 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.973 1.694 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.858 2.746 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.441 1.018 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.409 1.631 -2.647 1.00 0.00 H new ATOM 264 N ALA A 20 9.352 2.888 -6.067 1.00 0.00 N ATOM 265 CA ALA A 20 9.635 3.738 -7.217 1.00 0.00 C ATOM 266 C ALA A 20 11.048 4.307 -7.145 1.00 0.00 C ATOM 267 O ALA A 20 11.736 4.416 -8.160 1.00 0.00 O ATOM 268 CB ALA A 20 8.615 4.864 -7.305 1.00 0.00 C ATOM 0 H ALA A 20 8.505 3.137 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 20 9.563 3.126 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.839 5.491 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.616 4.442 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.659 5.467 -6.398 1.00 0.00 H new ATOM 274 N ASP A 21 11.474 4.668 -5.939 1.00 0.00 N ATOM 275 CA ASP A 21 12.806 5.225 -5.735 1.00 0.00 C ATOM 276 C ASP A 21 13.882 4.180 -6.013 1.00 0.00 C ATOM 277 O ASP A 21 15.000 4.516 -6.401 1.00 0.00 O ATOM 278 CB ASP A 21 12.948 5.752 -4.306 1.00 0.00 C ATOM 279 CG ASP A 21 14.298 6.394 -4.056 1.00 0.00 C ATOM 280 OD1 ASP A 21 14.683 7.289 -4.838 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.971 6.001 -3.080 1.00 0.00 O ATOM 0 H ASP A 21 10.917 4.585 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 21 12.938 6.051 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.161 6.481 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.804 4.931 -3.603 1.00 0.00 H new ATOM 286 N GLN A 22 13.534 2.913 -5.812 1.00 0.00 N ATOM 287 CA GLN A 22 14.471 1.819 -6.041 1.00 0.00 C ATOM 288 C GLN A 22 13.852 0.749 -6.934 1.00 0.00 C ATOM 289 O GLN A 22 13.243 -0.212 -6.464 1.00 0.00 O ATOM 290 CB GLN A 22 14.901 1.201 -4.709 1.00 0.00 C ATOM 291 CG GLN A 22 15.423 2.218 -3.707 1.00 0.00 C ATOM 292 CD GLN A 22 16.254 1.583 -2.609 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.254 0.918 -2.879 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.842 1.785 -1.363 1.00 0.00 N ATOM 0 H GLN A 22 12.611 2.619 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 22 15.348 2.225 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.053 0.675 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.675 0.457 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.025 2.961 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.581 2.747 -3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.007 2.343 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.361 1.382 -0.583 1.00 0.00 H new ATOM 303 N PRO A 23 14.009 0.918 -8.256 1.00 0.00 N ATOM 304 CA PRO A 23 13.472 -0.023 -9.243 1.00 0.00 C ATOM 305 C PRO A 23 14.205 -1.360 -9.228 1.00 0.00 C ATOM 306 O PRO A 23 13.808 -2.305 -9.910 1.00 0.00 O ATOM 307 CB PRO A 23 13.697 0.695 -10.576 1.00 0.00 C ATOM 308 CG PRO A 23 14.844 1.612 -10.324 1.00 0.00 C ATOM 309 CD PRO A 23 14.723 2.041 -8.887 1.00 0.00 C ATOM 0 HA PRO A 23 12.429 -0.269 -9.046 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.924 -0.013 -11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.809 1.247 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.794 1.107 -10.502 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.810 2.472 -10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.700 2.203 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.169 2.975 -8.791 1.00 0.00 H new ATOM 317 N LEU A 24 15.276 -1.433 -8.445 1.00 0.00 N ATOM 318 CA LEU A 24 16.065 -2.656 -8.341 1.00 0.00 C ATOM 319 C LEU A 24 15.677 -3.449 -7.097 1.00 0.00 C ATOM 320 O LEU A 24 15.757 -4.677 -7.082 1.00 0.00 O ATOM 321 CB LEU A 24 17.557 -2.322 -8.301 1.00 0.00 C ATOM 322 CG LEU A 24 18.065 -1.387 -9.400 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.333 -0.677 -8.952 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.311 -2.161 -10.687 1.00 0.00 C ATOM 0 H LEU A 24 15.618 -0.661 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 24 15.859 -3.268 -9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.782 -1.871 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.119 -3.254 -8.356 1.00 0.00 H new ATOM 0 HG LEU A 24 17.300 -0.634 -9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.680 -0.016 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.125 -0.091 -8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.104 -1.415 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.672 -1.480 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.057 -2.936 -10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.381 -2.623 -11.018 1.00 0.00 H new ATOM 336 N ALA A 25 15.254 -2.739 -6.056 1.00 0.00 N ATOM 337 CA ALA A 25 14.849 -3.377 -4.810 1.00 0.00 C ATOM 338 C ALA A 25 13.913 -4.551 -5.073 1.00 0.00 C ATOM 339 O ALA A 25 13.142 -4.559 -6.033 1.00 0.00 O ATOM 340 CB ALA A 25 14.183 -2.364 -3.891 1.00 0.00 C ATOM 0 H ALA A 25 15.183 -1.721 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 25 15.743 -3.762 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.885 -2.854 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.884 -1.560 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.302 -1.951 -4.382 1.00 0.00 H new ATOM 346 N PRO A 26 13.980 -5.570 -4.202 1.00 0.00 N ATOM 347 CA PRO A 26 13.145 -6.768 -4.321 1.00 0.00 C ATOM 348 C PRO A 26 11.677 -6.483 -4.025 1.00 0.00 C ATOM 349 O PRO A 26 11.343 -5.887 -3.000 1.00 0.00 O ATOM 350 CB PRO A 26 13.729 -7.713 -3.267 1.00 0.00 C ATOM 351 CG PRO A 26 14.366 -6.814 -2.264 1.00 0.00 C ATOM 352 CD PRO A 26 14.876 -5.628 -3.035 1.00 0.00 C ATOM 0 HA PRO A 26 13.157 -7.175 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.952 -8.327 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.457 -8.395 -3.706 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.648 -6.506 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.180 -7.322 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.827 -4.713 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.916 -5.759 -3.333 1.00 0.00 H new ATOM 360 N LYS A 27 10.802 -6.914 -4.927 1.00 0.00 N ATOM 361 CA LYS A 27 9.368 -6.707 -4.763 1.00 0.00 C ATOM 362 C LYS A 27 8.868 -7.355 -3.475 1.00 0.00 C ATOM 363 O LYS A 27 9.289 -8.456 -3.120 1.00 0.00 O ATOM 364 CB LYS A 27 8.608 -7.279 -5.962 1.00 0.00 C ATOM 365 CG LYS A 27 7.100 -7.134 -5.852 1.00 0.00 C ATOM 366 CD LYS A 27 6.391 -7.780 -7.030 1.00 0.00 C ATOM 367 CE LYS A 27 6.122 -9.256 -6.778 1.00 0.00 C ATOM 368 NZ LYS A 27 5.941 -10.012 -8.048 1.00 0.00 N ATOM 0 H LYS A 27 11.061 -7.409 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 27 9.186 -5.634 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.947 -6.779 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.856 -8.335 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.756 -7.591 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.838 -6.077 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.449 -7.264 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.999 -7.668 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.951 -9.685 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.229 -9.362 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.760 -11.013 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.134 -9.619 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.802 -9.932 -8.625 1.00 0.00 H new ATOM 382 N SER A 28 7.969 -6.666 -2.781 1.00 0.00 N ATOM 383 CA SER A 28 7.414 -7.174 -1.532 1.00 0.00 C ATOM 384 C SER A 28 5.903 -7.353 -1.642 1.00 0.00 C ATOM 385 O SER A 28 5.206 -6.509 -2.205 1.00 0.00 O ATOM 386 CB SER A 28 7.744 -6.223 -0.379 1.00 0.00 C ATOM 387 OG SER A 28 9.037 -6.480 0.140 1.00 0.00 O ATOM 0 H SER A 28 7.609 -5.754 -3.062 1.00 0.00 H new ATOM 0 HA SER A 28 7.864 -8.146 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.687 -5.191 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.002 -6.334 0.412 1.00 0.00 H new ATOM 0 HG SER A 28 9.224 -5.858 0.874 1.00 0.00 H new ATOM 393 N ILE A 29 5.404 -8.459 -1.099 1.00 0.00 N ATOM 394 CA ILE A 29 3.976 -8.749 -1.135 1.00 0.00 C ATOM 395 C ILE A 29 3.281 -8.244 0.124 1.00 0.00 C ATOM 396 O ILE A 29 3.771 -8.437 1.238 1.00 0.00 O ATOM 397 CB ILE A 29 3.712 -10.259 -1.282 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.411 -10.802 -2.531 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.217 -10.532 -1.345 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.029 -10.075 -3.801 1.00 0.00 C ATOM 0 H ILE A 29 5.967 -9.168 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 29 3.571 -8.231 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 29 4.118 -10.770 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.490 -10.733 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.171 -11.860 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.047 -11.604 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.743 -10.176 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.788 -10.012 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.562 -10.513 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.955 -10.166 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.294 -9.022 -3.711 1.00 0.00 H new ATOM 412 N LEU A 30 2.135 -7.596 -0.058 1.00 0.00 N ATOM 413 CA LEU A 30 1.370 -7.064 1.063 1.00 0.00 C ATOM 414 C LEU A 30 0.120 -7.901 1.316 1.00 0.00 C ATOM 415 O LEU A 30 -0.477 -8.437 0.383 1.00 0.00 O ATOM 416 CB LEU A 30 0.978 -5.609 0.795 1.00 0.00 C ATOM 417 CG LEU A 30 0.324 -4.865 1.959 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.316 -4.673 3.095 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.223 -3.523 1.493 1.00 0.00 C ATOM 0 H LEU A 30 1.716 -7.427 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 30 1.999 -7.106 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.872 -5.062 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.294 -5.588 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.507 -5.466 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.832 -4.142 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.660 -5.646 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.168 -4.094 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.685 -3.007 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.591 -2.916 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.967 -3.684 0.713 1.00 0.00 H new ATOM 431 N GLN A 31 -0.270 -8.005 2.582 1.00 0.00 N ATOM 432 CA GLN A 31 -1.450 -8.776 2.956 1.00 0.00 C ATOM 433 C GLN A 31 -2.378 -7.954 3.845 1.00 0.00 C ATOM 434 O GLN A 31 -2.074 -7.702 5.012 1.00 0.00 O ATOM 435 CB GLN A 31 -1.039 -10.060 3.677 1.00 0.00 C ATOM 436 CG GLN A 31 -0.316 -11.055 2.784 1.00 0.00 C ATOM 437 CD GLN A 31 -1.263 -12.020 2.098 1.00 0.00 C ATOM 438 OE1 GLN A 31 -1.520 -13.116 2.598 1.00 0.00 O ATOM 439 NE2 GLN A 31 -1.788 -11.618 0.947 1.00 0.00 N ATOM 0 H GLN A 31 0.213 -7.566 3.366 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.987 -9.036 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.394 -9.804 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.929 -10.535 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.254 -10.513 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.401 -11.618 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.547 -10.702 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.432 -12.225 0.440 1.00 0.00 H new ATOM 448 N LEU A 32 -3.509 -7.538 3.287 1.00 0.00 N ATOM 449 CA LEU A 32 -4.481 -6.743 4.030 1.00 0.00 C ATOM 450 C LEU A 32 -5.325 -7.628 4.942 1.00 0.00 C ATOM 451 O LEU A 32 -5.564 -8.803 4.660 1.00 0.00 O ATOM 452 CB LEU A 32 -5.387 -5.977 3.064 1.00 0.00 C ATOM 453 CG LEU A 32 -6.166 -6.825 2.058 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.495 -7.269 2.651 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.388 -6.052 0.767 1.00 0.00 C ATOM 0 H LEU A 32 -3.776 -7.738 2.323 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.935 -6.031 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.101 -5.397 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.775 -5.265 2.511 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.578 -7.714 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.036 -7.871 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.313 -7.862 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.089 -6.392 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.944 -6.671 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.955 -5.145 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.425 -5.785 0.333 1.00 0.00 H new ATOM 467 N PRO A 33 -5.789 -7.053 6.061 1.00 0.00 N ATOM 468 CA PRO A 33 -6.616 -7.770 7.036 1.00 0.00 C ATOM 469 C PRO A 33 -8.009 -8.079 6.499 1.00 0.00 C ATOM 470 O PRO A 33 -8.303 -7.829 5.331 1.00 0.00 O ATOM 471 CB PRO A 33 -6.700 -6.797 8.214 1.00 0.00 C ATOM 472 CG PRO A 33 -6.491 -5.452 7.610 1.00 0.00 C ATOM 473 CD PRO A 33 -5.544 -5.657 6.460 1.00 0.00 C ATOM 0 HA PRO A 33 -6.191 -8.739 7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.667 -6.861 8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.940 -7.017 8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.435 -5.027 7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.075 -4.757 8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.747 -4.964 5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.508 -5.501 6.760 1.00 0.00 H new ATOM 481 N GLU A 34 -8.864 -8.622 7.360 1.00 0.00 N ATOM 482 CA GLU A 34 -10.226 -8.965 6.971 1.00 0.00 C ATOM 483 C GLU A 34 -11.170 -7.787 7.199 1.00 0.00 C ATOM 484 O GLU A 34 -10.741 -6.699 7.586 1.00 0.00 O ATOM 485 CB GLU A 34 -10.715 -10.183 7.757 1.00 0.00 C ATOM 486 CG GLU A 34 -10.731 -9.970 9.261 1.00 0.00 C ATOM 487 CD GLU A 34 -10.503 -11.254 10.035 1.00 0.00 C ATOM 488 OE1 GLU A 34 -11.484 -11.993 10.260 1.00 0.00 O ATOM 489 OE2 GLU A 34 -9.344 -11.519 10.416 1.00 0.00 O ATOM 0 H GLU A 34 -8.637 -8.834 8.332 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.222 -9.206 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.721 -10.440 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.075 -11.035 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.961 -9.247 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.689 -9.539 9.553 1.00 0.00 H new ATOM 496 N THR A 35 -12.457 -8.012 6.956 1.00 0.00 N ATOM 497 CA THR A 35 -13.461 -6.970 7.133 1.00 0.00 C ATOM 498 C THR A 35 -14.818 -7.569 7.485 1.00 0.00 C ATOM 499 O THR A 35 -14.953 -8.785 7.621 1.00 0.00 O ATOM 500 CB THR A 35 -13.606 -6.108 5.865 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.656 -5.150 6.041 1.00 0.00 O ATOM 502 CG2 THR A 35 -13.904 -6.976 4.652 1.00 0.00 C ATOM 0 H THR A 35 -12.829 -8.906 6.636 1.00 0.00 H new ATOM 0 HA THR A 35 -13.121 -6.339 7.954 1.00 0.00 H new ATOM 0 HB THR A 35 -12.663 -5.587 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.165 -5.066 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.002 -6.345 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.090 -7.685 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.834 -7.521 4.814 1.00 0.00 H new ATOM 510 N GLU A 36 -15.821 -6.708 7.628 1.00 0.00 N ATOM 511 CA GLU A 36 -17.168 -7.154 7.964 1.00 0.00 C ATOM 512 C GLU A 36 -17.636 -8.242 7.002 1.00 0.00 C ATOM 513 O GLU A 36 -18.514 -9.041 7.330 1.00 0.00 O ATOM 514 CB GLU A 36 -18.143 -5.975 7.932 1.00 0.00 C ATOM 515 CG GLU A 36 -18.100 -5.186 6.634 1.00 0.00 C ATOM 516 CD GLU A 36 -17.092 -4.054 6.672 1.00 0.00 C ATOM 517 OE1 GLU A 36 -16.528 -3.797 7.756 1.00 0.00 O ATOM 518 OE2 GLU A 36 -16.867 -3.425 5.617 1.00 0.00 O ATOM 0 H GLU A 36 -15.726 -5.699 7.516 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.145 -7.569 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -19.156 -6.347 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.918 -5.305 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.854 -5.859 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -19.090 -4.779 6.428 1.00 0.00 H new ATOM 525 N LEU A 37 -17.045 -8.266 5.812 1.00 0.00 N ATOM 526 CA LEU A 37 -17.402 -9.255 4.801 1.00 0.00 C ATOM 527 C LEU A 37 -16.249 -10.223 4.556 1.00 0.00 C ATOM 528 O LEU A 37 -16.317 -11.393 4.932 1.00 0.00 O ATOM 529 CB LEU A 37 -17.785 -8.560 3.493 1.00 0.00 C ATOM 530 CG LEU A 37 -19.267 -8.226 3.319 1.00 0.00 C ATOM 531 CD1 LEU A 37 -19.543 -6.790 3.737 1.00 0.00 C ATOM 532 CD2 LEU A 37 -19.700 -8.457 1.879 1.00 0.00 C ATOM 0 H LEU A 37 -16.317 -7.612 5.524 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.257 -9.822 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.213 -7.635 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.477 -9.196 2.663 1.00 0.00 H new ATOM 0 HG LEU A 37 -19.847 -8.888 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.603 -6.570 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.271 -6.657 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.953 -6.112 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -20.757 -8.214 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.114 -7.820 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -19.539 -9.502 1.614 1.00 0.00 H new ATOM 544 N GLY A 38 -15.189 -9.727 3.925 1.00 0.00 N ATOM 545 CA GLY A 38 -14.035 -10.561 3.644 1.00 0.00 C ATOM 546 C GLY A 38 -13.096 -9.930 2.635 1.00 0.00 C ATOM 547 O GLY A 38 -13.303 -8.793 2.212 1.00 0.00 O ATOM 0 H GLY A 38 -15.109 -8.762 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.493 -10.751 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.372 -11.527 3.268 1.00 0.00 H new ATOM 551 N GLU A 39 -12.061 -10.670 2.250 1.00 0.00 N ATOM 552 CA GLU A 39 -11.085 -10.174 1.286 1.00 0.00 C ATOM 553 C GLU A 39 -11.579 -10.380 -0.143 1.00 0.00 C ATOM 554 O GLU A 39 -11.474 -9.486 -0.983 1.00 0.00 O ATOM 555 CB GLU A 39 -9.741 -10.878 1.479 1.00 0.00 C ATOM 556 CG GLU A 39 -9.806 -12.382 1.272 1.00 0.00 C ATOM 557 CD GLU A 39 -8.790 -13.132 2.112 1.00 0.00 C ATOM 558 OE1 GLU A 39 -7.577 -12.950 1.879 1.00 0.00 O ATOM 559 OE2 GLU A 39 -9.209 -13.900 3.003 1.00 0.00 O ATOM 0 H GLU A 39 -11.877 -11.614 2.590 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.955 -9.105 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.016 -10.455 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.375 -10.674 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.807 -12.736 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.638 -12.607 0.219 1.00 0.00 H new ATOM 566 N TYR A 40 -12.117 -11.564 -0.412 1.00 0.00 N ATOM 567 CA TYR A 40 -12.625 -11.890 -1.739 1.00 0.00 C ATOM 568 C TYR A 40 -13.222 -10.657 -2.412 1.00 0.00 C ATOM 569 O TYR A 40 -12.895 -10.341 -3.555 1.00 0.00 O ATOM 570 CB TYR A 40 -13.678 -12.996 -1.649 1.00 0.00 C ATOM 571 CG TYR A 40 -14.947 -12.568 -0.946 1.00 0.00 C ATOM 572 CD1 TYR A 40 -14.916 -12.105 0.364 1.00 0.00 C ATOM 573 CD2 TYR A 40 -16.175 -12.626 -1.592 1.00 0.00 C ATOM 574 CE1 TYR A 40 -16.073 -11.714 1.010 1.00 0.00 C ATOM 575 CE2 TYR A 40 -17.337 -12.235 -0.955 1.00 0.00 C ATOM 576 CZ TYR A 40 -17.281 -11.780 0.346 1.00 0.00 C ATOM 577 OH TYR A 40 -18.436 -11.391 0.985 1.00 0.00 O ATOM 0 H TYR A 40 -12.213 -12.315 0.272 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.789 -12.243 -2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -13.926 -13.333 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.252 -13.850 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.972 -12.050 0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.222 -12.983 -2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -16.032 -11.359 2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.284 -12.285 -1.473 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.198 -11.498 0.378 1.00 0.00 H new ATOM 587 N SER A 41 -14.100 -9.966 -1.692 1.00 0.00 N ATOM 588 CA SER A 41 -14.746 -8.769 -2.218 1.00 0.00 C ATOM 589 C SER A 41 -14.526 -7.579 -1.289 1.00 0.00 C ATOM 590 O SER A 41 -15.151 -7.478 -0.232 1.00 0.00 O ATOM 591 CB SER A 41 -16.244 -9.014 -2.406 1.00 0.00 C ATOM 592 OG SER A 41 -16.801 -8.091 -3.326 1.00 0.00 O ATOM 0 H SER A 41 -14.380 -10.214 -0.743 1.00 0.00 H new ATOM 0 HA SER A 41 -14.298 -8.540 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.407 -10.031 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.753 -8.927 -1.446 1.00 0.00 H new ATOM 0 HG SER A 41 -17.759 -8.270 -3.430 1.00 0.00 H new ATOM 598 N LEU A 42 -13.634 -6.681 -1.690 1.00 0.00 N ATOM 599 CA LEU A 42 -13.330 -5.497 -0.894 1.00 0.00 C ATOM 600 C LEU A 42 -14.290 -4.358 -1.224 1.00 0.00 C ATOM 601 O LEU A 42 -15.196 -4.053 -0.449 1.00 0.00 O ATOM 602 CB LEU A 42 -11.887 -5.050 -1.139 1.00 0.00 C ATOM 603 CG LEU A 42 -10.799 -6.045 -0.735 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.471 -5.331 -0.534 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.201 -6.793 0.528 1.00 0.00 C ATOM 0 H LEU A 42 -13.108 -6.750 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.450 -5.756 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.772 -4.827 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.719 -4.119 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.680 -6.770 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.708 -6.055 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.176 -4.843 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.575 -4.583 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.414 -7.497 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.349 -6.082 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.128 -7.337 0.349 1.00 0.00 H new ATOM 617 N GLY A 43 -14.085 -3.734 -2.380 1.00 0.00 N ATOM 618 CA GLY A 43 -14.941 -2.638 -2.793 1.00 0.00 C ATOM 619 C GLY A 43 -15.418 -1.802 -1.622 1.00 0.00 C ATOM 620 O GLY A 43 -16.619 -1.684 -1.382 1.00 0.00 O ATOM 0 H GLY A 43 -13.341 -3.968 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.399 -2.002 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.804 -3.036 -3.327 1.00 0.00 H new ATOM 624 N GLY A 44 -14.474 -1.219 -0.889 1.00 0.00 N ATOM 625 CA GLY A 44 -14.823 -0.399 0.256 1.00 0.00 C ATOM 626 C GLY A 44 -13.606 0.186 0.943 1.00 0.00 C ATOM 627 O GLY A 44 -13.682 1.252 1.556 1.00 0.00 O ATOM 0 H GLY A 44 -13.473 -1.300 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.478 0.410 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.386 -0.999 0.971 1.00 0.00 H new ATOM 631 N TYR A 45 -12.480 -0.511 0.844 1.00 0.00 N ATOM 632 CA TYR A 45 -11.242 -0.057 1.464 1.00 0.00 C ATOM 633 C TYR A 45 -10.798 1.281 0.880 1.00 0.00 C ATOM 634 O TYR A 45 -10.737 1.449 -0.338 1.00 0.00 O ATOM 635 CB TYR A 45 -10.139 -1.099 1.275 1.00 0.00 C ATOM 636 CG TYR A 45 -10.084 -2.131 2.380 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.558 -1.815 3.627 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.558 -3.421 2.177 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.506 -2.753 4.639 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.512 -4.366 3.184 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.984 -4.027 4.413 1.00 0.00 C ATOM 642 OH TYR A 45 -9.935 -4.966 5.417 1.00 0.00 O ATOM 0 H TYR A 45 -12.399 -1.394 0.339 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.428 0.076 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.290 -1.607 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.177 -0.590 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.183 -0.818 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.970 -3.690 1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.093 -2.491 5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.887 -5.364 3.010 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.407 -5.736 5.119 1.00 0.00 H new ATOM 652 N SER A 46 -10.489 2.230 1.757 1.00 0.00 N ATOM 653 CA SER A 46 -10.053 3.554 1.330 1.00 0.00 C ATOM 654 C SER A 46 -8.547 3.579 1.089 1.00 0.00 C ATOM 655 O SER A 46 -7.764 3.159 1.942 1.00 0.00 O ATOM 656 CB SER A 46 -10.431 4.602 2.379 1.00 0.00 C ATOM 657 OG SER A 46 -11.792 4.979 2.256 1.00 0.00 O ATOM 0 H SER A 46 -10.533 2.107 2.769 1.00 0.00 H new ATOM 0 HA SER A 46 -10.557 3.790 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.249 4.204 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.795 5.480 2.266 1.00 0.00 H new ATOM 0 HG SER A 46 -12.009 5.648 2.938 1.00 0.00 H new ATOM 663 N ILE A 47 -8.149 4.076 -0.077 1.00 0.00 N ATOM 664 CA ILE A 47 -6.737 4.157 -0.431 1.00 0.00 C ATOM 665 C ILE A 47 -5.884 4.490 0.789 1.00 0.00 C ATOM 666 O ILE A 47 -4.875 3.835 1.050 1.00 0.00 O ATOM 667 CB ILE A 47 -6.490 5.216 -1.521 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.167 4.802 -2.829 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.997 5.420 -1.732 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.694 3.465 -3.357 1.00 0.00 C ATOM 0 H ILE A 47 -8.784 4.429 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.451 3.178 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.924 6.161 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.245 4.762 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.982 5.567 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.838 6.171 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.540 5.756 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.541 4.479 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.216 3.235 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.621 3.507 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.904 2.688 -2.621 1.00 0.00 H new ATOM 682 N SER A 48 -6.297 5.511 1.532 1.00 0.00 N ATOM 683 CA SER A 48 -5.569 5.932 2.724 1.00 0.00 C ATOM 684 C SER A 48 -5.056 4.725 3.502 1.00 0.00 C ATOM 685 O SER A 48 -3.867 4.628 3.807 1.00 0.00 O ATOM 686 CB SER A 48 -6.468 6.787 3.620 1.00 0.00 C ATOM 687 OG SER A 48 -7.386 5.981 4.338 1.00 0.00 O ATOM 0 H SER A 48 -7.131 6.062 1.330 1.00 0.00 H new ATOM 0 HA SER A 48 -4.713 6.527 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.855 7.356 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.012 7.510 3.012 1.00 0.00 H new ATOM 0 HG SER A 48 -7.948 6.550 4.904 1.00 0.00 H new ATOM 693 N PHE A 49 -5.961 3.806 3.822 1.00 0.00 N ATOM 694 CA PHE A 49 -5.602 2.605 4.566 1.00 0.00 C ATOM 695 C PHE A 49 -4.355 1.952 3.976 1.00 0.00 C ATOM 696 O PHE A 49 -3.324 1.843 4.640 1.00 0.00 O ATOM 697 CB PHE A 49 -6.764 1.609 4.559 1.00 0.00 C ATOM 698 CG PHE A 49 -6.497 0.372 5.370 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.051 0.468 6.678 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.695 -0.886 4.824 1.00 0.00 C ATOM 701 CE1 PHE A 49 -5.804 -0.668 7.426 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.450 -2.025 5.567 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.006 -1.916 6.870 1.00 0.00 C ATOM 0 H PHE A 49 -6.949 3.870 3.577 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.387 2.896 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.657 2.101 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.979 1.320 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.894 1.442 7.118 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.045 -0.977 3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.454 -0.580 8.444 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.606 -3.000 5.129 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.817 -2.805 7.453 1.00 0.00 H new ATOM 713 N LEU A 50 -4.457 1.519 2.724 1.00 0.00 N ATOM 714 CA LEU A 50 -3.338 0.877 2.043 1.00 0.00 C ATOM 715 C LEU A 50 -2.049 1.663 2.253 1.00 0.00 C ATOM 716 O LEU A 50 -1.053 1.126 2.740 1.00 0.00 O ATOM 717 CB LEU A 50 -3.632 0.748 0.547 1.00 0.00 C ATOM 718 CG LEU A 50 -4.447 -0.475 0.126 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.954 -0.315 -1.299 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.615 -1.742 0.258 1.00 0.00 C ATOM 0 H LEU A 50 -5.303 1.601 2.160 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.208 -0.118 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.164 1.643 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.683 0.729 0.011 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.308 -0.559 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.532 -1.195 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.587 0.570 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.107 -0.205 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.211 -2.602 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.734 -1.667 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.302 -1.866 1.295 1.00 0.00 H new ATOM 732 N LYS A 51 -2.073 2.940 1.885 1.00 0.00 N ATOM 733 CA LYS A 51 -0.908 3.803 2.036 1.00 0.00 C ATOM 734 C LYS A 51 -0.215 3.553 3.372 1.00 0.00 C ATOM 735 O LYS A 51 0.977 3.818 3.521 1.00 0.00 O ATOM 736 CB LYS A 51 -1.319 5.273 1.930 1.00 0.00 C ATOM 737 CG LYS A 51 -1.480 5.758 0.500 1.00 0.00 C ATOM 738 CD LYS A 51 -1.970 7.196 0.450 1.00 0.00 C ATOM 739 CE LYS A 51 -1.831 7.784 -0.946 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.683 8.993 -1.125 1.00 0.00 N ATOM 0 H LYS A 51 -2.888 3.400 1.480 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.208 3.569 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.259 5.418 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.571 5.888 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.526 5.680 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.185 5.114 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.014 7.237 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.403 7.800 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.788 8.044 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.106 7.033 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.228 8.906 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.337 9.079 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.080 9.839 -1.172 1.00 0.00 H new ATOM 754 N GLN A 52 -0.970 3.040 4.338 1.00 0.00 N ATOM 755 CA GLN A 52 -0.427 2.753 5.660 1.00 0.00 C ATOM 756 C GLN A 52 0.158 1.346 5.716 1.00 0.00 C ATOM 757 O GLN A 52 1.270 1.142 6.205 1.00 0.00 O ATOM 758 CB GLN A 52 -1.513 2.910 6.726 1.00 0.00 C ATOM 759 CG GLN A 52 -2.257 4.233 6.646 1.00 0.00 C ATOM 760 CD GLN A 52 -2.759 4.702 7.998 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.403 4.141 9.034 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.590 5.738 7.994 1.00 0.00 N ATOM 0 H GLN A 52 -1.959 2.815 4.230 1.00 0.00 H new ATOM 0 HA GLN A 52 0.373 3.466 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.229 2.094 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.058 2.817 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.598 4.992 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.102 4.130 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.859 6.173 7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.959 6.099 8.874 1.00 0.00 H new ATOM 771 N LEU A 53 -0.598 0.376 5.212 1.00 0.00 N ATOM 772 CA LEU A 53 -0.156 -1.014 5.204 1.00 0.00 C ATOM 773 C LEU A 53 1.213 -1.145 4.545 1.00 0.00 C ATOM 774 O LEU A 53 2.118 -1.776 5.091 1.00 0.00 O ATOM 775 CB LEU A 53 -1.174 -1.890 4.472 1.00 0.00 C ATOM 776 CG LEU A 53 -2.452 -2.220 5.244 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.523 -1.174 4.974 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.955 -3.608 4.873 1.00 0.00 C ATOM 0 H LEU A 53 -1.520 0.527 4.803 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.075 -1.350 6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.452 -1.391 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.687 -2.826 4.197 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.223 -2.210 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.425 -1.425 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.163 -0.195 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.749 -1.152 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.865 -3.827 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.167 -3.644 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.193 -4.348 5.117 1.00 0.00 H new ATOM 790 N ILE A 54 1.357 -0.545 3.368 1.00 0.00 N ATOM 791 CA ILE A 54 2.617 -0.593 2.636 1.00 0.00 C ATOM 792 C ILE A 54 3.733 0.093 3.416 1.00 0.00 C ATOM 793 O ILE A 54 4.775 -0.504 3.685 1.00 0.00 O ATOM 794 CB ILE A 54 2.489 0.072 1.252 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.590 -0.766 0.341 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.863 0.257 0.625 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.127 -0.389 0.424 1.00 0.00 C ATOM 0 H ILE A 54 0.617 -0.020 2.901 1.00 0.00 H new ATOM 0 HA ILE A 54 2.865 -1.646 2.503 1.00 0.00 H new ATOM 0 HB ILE A 54 2.033 1.054 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.927 -0.656 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.701 -1.818 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.757 0.728 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.474 0.890 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.344 -0.714 0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.451 -1.024 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.227 -0.526 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.003 0.654 0.134 1.00 0.00 H new ATOM 809 N ALA A 55 3.506 1.352 3.779 1.00 0.00 N ATOM 810 CA ALA A 55 4.491 2.118 4.533 1.00 0.00 C ATOM 811 C ALA A 55 4.988 1.335 5.742 1.00 0.00 C ATOM 812 O ALA A 55 6.150 1.446 6.131 1.00 0.00 O ATOM 813 CB ALA A 55 3.900 3.450 4.971 1.00 0.00 C ATOM 0 H ALA A 55 2.650 1.862 3.563 1.00 0.00 H new ATOM 0 HA ALA A 55 5.344 2.307 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.646 4.012 5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.601 4.022 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.029 3.272 5.602 1.00 0.00 H new ATOM 819 N GLY A 56 4.100 0.541 6.334 1.00 0.00 N ATOM 820 CA GLY A 56 4.469 -0.249 7.494 1.00 0.00 C ATOM 821 C GLY A 56 5.373 -1.412 7.140 1.00 0.00 C ATOM 822 O GLY A 56 6.183 -1.851 7.957 1.00 0.00 O ATOM 0 H GLY A 56 3.132 0.431 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.972 0.390 8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.566 -0.627 7.974 1.00 0.00 H new ATOM 826 N LYS A 57 5.234 -1.917 5.919 1.00 0.00 N ATOM 827 CA LYS A 57 6.044 -3.038 5.457 1.00 0.00 C ATOM 828 C LYS A 57 7.381 -2.552 4.905 1.00 0.00 C ATOM 829 O LYS A 57 8.371 -3.286 4.912 1.00 0.00 O ATOM 830 CB LYS A 57 5.294 -3.827 4.382 1.00 0.00 C ATOM 831 CG LYS A 57 4.322 -4.849 4.945 1.00 0.00 C ATOM 832 CD LYS A 57 5.048 -6.067 5.491 1.00 0.00 C ATOM 833 CE LYS A 57 4.104 -6.980 6.260 1.00 0.00 C ATOM 834 NZ LYS A 57 3.380 -7.916 5.357 1.00 0.00 N ATOM 0 H LYS A 57 4.567 -1.567 5.231 1.00 0.00 H new ATOM 0 HA LYS A 57 6.237 -3.690 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.748 -3.130 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.018 -4.338 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.730 -4.391 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.626 -5.158 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.502 -6.620 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.859 -5.746 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.670 -7.551 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.383 -6.376 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.747 -8.521 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.820 -7.372 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.067 -8.510 4.850 1.00 0.00 H new ATOM 848 N LEU A 58 7.404 -1.312 4.429 1.00 0.00 N ATOM 849 CA LEU A 58 8.621 -0.727 3.876 1.00 0.00 C ATOM 850 C LEU A 58 9.263 0.235 4.869 1.00 0.00 C ATOM 851 O LEU A 58 9.993 1.147 4.480 1.00 0.00 O ATOM 852 CB LEU A 58 8.309 0.004 2.568 1.00 0.00 C ATOM 853 CG LEU A 58 7.450 -0.761 1.560 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.246 0.064 0.299 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.087 -2.102 1.226 1.00 0.00 C ATOM 0 H LEU A 58 6.594 -0.692 4.415 1.00 0.00 H new ATOM 0 HA LEU A 58 9.325 -1.535 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.804 0.939 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.252 0.265 2.087 1.00 0.00 H new ATOM 0 HG LEU A 58 6.475 -0.947 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.633 -0.496 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.746 0.999 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.213 0.282 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.462 -2.633 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.075 -1.938 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.180 -2.697 2.135 1.00 0.00 H new ATOM 867 N GLN A 59 8.989 0.024 6.152 1.00 0.00 N ATOM 868 CA GLN A 59 9.542 0.872 7.201 1.00 0.00 C ATOM 869 C GLN A 59 11.062 0.947 7.096 1.00 0.00 C ATOM 870 O GLN A 59 11.692 1.819 7.692 1.00 0.00 O ATOM 871 CB GLN A 59 9.139 0.344 8.579 1.00 0.00 C ATOM 872 CG GLN A 59 7.732 0.741 8.995 1.00 0.00 C ATOM 873 CD GLN A 59 7.691 2.073 9.717 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.969 2.153 10.914 1.00 0.00 O ATOM 875 NE2 GLN A 59 7.343 3.129 8.991 1.00 0.00 N ATOM 0 H GLN A 59 8.387 -0.727 6.490 1.00 0.00 H new ATOM 0 HA GLN A 59 9.137 1.876 7.072 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.216 -0.743 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.846 0.713 9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.096 0.792 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.317 -0.032 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.121 3.017 8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.298 4.052 9.423 1.00 0.00 H new ATOM 884 N GLU A 60 11.643 0.026 6.334 1.00 0.00 N ATOM 885 CA GLU A 60 13.090 -0.012 6.153 1.00 0.00 C ATOM 886 C GLU A 60 13.581 1.242 5.436 1.00 0.00 C ATOM 887 O GLU A 60 14.666 1.748 5.723 1.00 0.00 O ATOM 888 CB GLU A 60 13.494 -1.257 5.360 1.00 0.00 C ATOM 889 CG GLU A 60 12.823 -1.358 4.001 1.00 0.00 C ATOM 890 CD GLU A 60 13.437 -2.433 3.125 1.00 0.00 C ATOM 891 OE1 GLU A 60 13.178 -3.627 3.382 1.00 0.00 O ATOM 892 OE2 GLU A 60 14.177 -2.080 2.183 1.00 0.00 O ATOM 0 H GLU A 60 11.135 -0.703 5.833 1.00 0.00 H new ATOM 0 HA GLU A 60 13.553 -0.051 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.575 -1.255 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.249 -2.144 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.762 -1.569 4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.894 -0.396 3.493 1.00 0.00 H new ATOM 899 N SER A 61 12.776 1.737 4.502 1.00 0.00 N ATOM 900 CA SER A 61 13.130 2.929 3.740 1.00 0.00 C ATOM 901 C SER A 61 12.106 4.039 3.961 1.00 0.00 C ATOM 902 O SER A 61 12.465 5.201 4.148 1.00 0.00 O ATOM 903 CB SER A 61 13.227 2.598 2.250 1.00 0.00 C ATOM 904 OG SER A 61 14.530 2.157 1.909 1.00 0.00 O ATOM 0 H SER A 61 11.874 1.331 4.254 1.00 0.00 H new ATOM 0 HA SER A 61 14.101 3.279 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.501 1.825 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.972 3.479 1.661 1.00 0.00 H new ATOM 0 HG SER A 61 14.565 1.950 0.952 1.00 0.00 H new ATOM 910 N VAL A 62 10.829 3.670 3.938 1.00 0.00 N ATOM 911 CA VAL A 62 9.752 4.633 4.136 1.00 0.00 C ATOM 912 C VAL A 62 9.681 5.086 5.590 1.00 0.00 C ATOM 913 O VAL A 62 9.494 4.285 6.507 1.00 0.00 O ATOM 914 CB VAL A 62 8.390 4.043 3.726 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.255 4.930 4.214 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.322 3.858 2.218 1.00 0.00 C ATOM 0 H VAL A 62 10.515 2.712 3.784 1.00 0.00 H new ATOM 0 HA VAL A 62 9.973 5.491 3.502 1.00 0.00 H new ATOM 0 HB VAL A 62 8.282 3.065 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.300 4.497 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.294 5.006 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.356 5.923 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.353 3.440 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.452 4.822 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.112 3.179 1.899 1.00 0.00 H new ATOM 926 N PRO A 63 9.832 6.400 5.809 1.00 0.00 N ATOM 927 CA PRO A 63 9.787 6.990 7.150 1.00 0.00 C ATOM 928 C PRO A 63 8.388 6.951 7.754 1.00 0.00 C ATOM 929 O PRO A 63 8.202 6.505 8.886 1.00 0.00 O ATOM 930 CB PRO A 63 10.228 8.437 6.916 1.00 0.00 C ATOM 931 CG PRO A 63 9.880 8.714 5.494 1.00 0.00 C ATOM 932 CD PRO A 63 10.057 7.412 4.763 1.00 0.00 C ATOM 0 HA PRO A 63 10.416 6.447 7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.713 9.122 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.297 8.559 7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.855 9.075 5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.526 9.486 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.344 7.310 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.053 7.327 4.329 1.00 0.00 H new ATOM 940 N ASP A 64 7.406 7.420 6.992 1.00 0.00 N ATOM 941 CA ASP A 64 6.022 7.437 7.452 1.00 0.00 C ATOM 942 C ASP A 64 5.057 7.355 6.273 1.00 0.00 C ATOM 943 O ASP A 64 5.362 7.779 5.159 1.00 0.00 O ATOM 944 CB ASP A 64 5.748 8.703 8.264 1.00 0.00 C ATOM 945 CG ASP A 64 6.011 8.509 9.745 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.404 7.594 10.340 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.822 9.273 10.309 1.00 0.00 O ATOM 0 H ASP A 64 7.543 7.794 6.053 1.00 0.00 H new ATOM 0 HA ASP A 64 5.865 6.566 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.373 9.514 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.711 9.007 8.119 1.00 0.00 H new ATOM 952 N PRO A 65 3.864 6.796 6.523 1.00 0.00 N ATOM 953 CA PRO A 65 2.830 6.644 5.495 1.00 0.00 C ATOM 954 C PRO A 65 2.225 7.981 5.080 1.00 0.00 C ATOM 955 O PRO A 65 1.561 8.077 4.048 1.00 0.00 O ATOM 956 CB PRO A 65 1.775 5.770 6.179 1.00 0.00 C ATOM 957 CG PRO A 65 1.961 6.022 7.636 1.00 0.00 C ATOM 958 CD PRO A 65 3.432 6.268 7.829 1.00 0.00 C ATOM 0 HA PRO A 65 3.229 6.214 4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.769 6.038 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.917 4.716 5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.376 6.882 7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.627 5.168 8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.618 6.981 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.962 5.351 8.087 1.00 0.00 H new ATOM 966 N GLU A 66 2.461 9.009 5.889 1.00 0.00 N ATOM 967 CA GLU A 66 1.939 10.340 5.603 1.00 0.00 C ATOM 968 C GLU A 66 2.921 11.139 4.752 1.00 0.00 C ATOM 969 O GLU A 66 2.523 12.002 3.969 1.00 0.00 O ATOM 970 CB GLU A 66 1.650 11.089 6.906 1.00 0.00 C ATOM 971 CG GLU A 66 0.779 10.308 7.876 1.00 0.00 C ATOM 972 CD GLU A 66 -0.045 11.210 8.775 1.00 0.00 C ATOM 973 OE1 GLU A 66 0.525 11.781 9.727 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.262 11.343 8.525 1.00 0.00 O ATOM 0 H GLU A 66 3.010 8.946 6.747 1.00 0.00 H new ATOM 0 HA GLU A 66 1.010 10.225 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.594 11.332 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.161 12.034 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.112 9.654 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.411 9.667 8.491 1.00 0.00 H new ATOM 981 N LEU A 67 4.207 10.846 4.911 1.00 0.00 N ATOM 982 CA LEU A 67 5.249 11.537 4.158 1.00 0.00 C ATOM 983 C LEU A 67 5.496 10.852 2.817 1.00 0.00 C ATOM 984 O LEU A 67 6.500 11.111 2.153 1.00 0.00 O ATOM 985 CB LEU A 67 6.546 11.582 4.967 1.00 0.00 C ATOM 986 CG LEU A 67 6.403 11.954 6.443 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.736 11.807 7.162 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.871 13.372 6.587 1.00 0.00 C ATOM 0 H LEU A 67 4.554 10.135 5.555 1.00 0.00 H new ATOM 0 HA LEU A 67 4.911 12.556 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.024 10.605 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.220 12.298 4.496 1.00 0.00 H new ATOM 0 HG LEU A 67 5.688 11.271 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.615 12.076 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.077 10.774 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.472 12.465 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.776 13.619 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.561 14.069 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.895 13.445 6.108 1.00 0.00 H new ATOM 1000 N ILE A 68 4.573 9.981 2.425 1.00 0.00 N ATOM 1001 CA ILE A 68 4.689 9.262 1.162 1.00 0.00 C ATOM 1002 C ILE A 68 3.352 9.217 0.430 1.00 0.00 C ATOM 1003 O ILE A 68 2.309 9.533 1.002 1.00 0.00 O ATOM 1004 CB ILE A 68 5.193 7.823 1.377 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.354 7.120 2.447 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.663 7.829 1.770 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.144 6.403 1.890 1.00 0.00 C ATOM 0 H ILE A 68 3.736 9.756 2.963 1.00 0.00 H new ATOM 0 HA ILE A 68 5.414 9.805 0.556 1.00 0.00 H new ATOM 0 HB ILE A 68 5.089 7.274 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.981 6.402 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.025 7.856 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.004 6.804 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.249 8.296 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.790 8.391 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.596 5.928 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.496 7.120 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.467 5.644 1.178 1.00 0.00 H new ATOM 1019 N ASP A 69 3.391 8.819 -0.837 1.00 0.00 N ATOM 1020 CA ASP A 69 2.182 8.729 -1.647 1.00 0.00 C ATOM 1021 C ASP A 69 2.111 7.387 -2.369 1.00 0.00 C ATOM 1022 O ASP A 69 3.105 6.666 -2.461 1.00 0.00 O ATOM 1023 CB ASP A 69 2.136 9.872 -2.662 1.00 0.00 C ATOM 1024 CG ASP A 69 1.991 11.228 -2.000 1.00 0.00 C ATOM 1025 OD1 ASP A 69 1.004 11.426 -1.262 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.865 12.092 -2.222 1.00 0.00 O ATOM 0 H ASP A 69 4.246 8.554 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 69 1.322 8.810 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.046 9.859 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.302 9.714 -3.346 1.00 0.00 H new ATOM 1031 N LEU A 70 0.929 7.058 -2.880 1.00 0.00 N ATOM 1032 CA LEU A 70 0.728 5.802 -3.594 1.00 0.00 C ATOM 1033 C LEU A 70 0.458 6.054 -5.074 1.00 0.00 C ATOM 1034 O LEU A 70 -0.242 7.000 -5.435 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.435 5.023 -2.978 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.636 3.597 -3.492 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.618 2.766 -3.266 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.836 2.950 -2.816 1.00 0.00 C ATOM 0 H LEU A 70 0.096 7.643 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 70 1.640 5.212 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.287 4.981 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.354 5.583 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.829 3.642 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.456 1.754 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.455 3.218 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.843 2.729 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.964 1.936 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.673 2.918 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.732 3.532 -3.030 1.00 0.00 H new ATOM 1050 N ILE A 71 1.016 5.200 -5.926 1.00 0.00 N ATOM 1051 CA ILE A 71 0.833 5.329 -7.366 1.00 0.00 C ATOM 1052 C ILE A 71 0.395 4.006 -7.985 1.00 0.00 C ATOM 1053 O ILE A 71 0.987 2.959 -7.722 1.00 0.00 O ATOM 1054 CB ILE A 71 2.125 5.803 -8.058 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.703 7.017 -7.329 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.853 6.135 -9.517 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.918 8.290 -7.556 1.00 0.00 C ATOM 0 H ILE A 71 1.598 4.412 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 71 0.054 6.075 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 71 2.857 4.997 -8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.736 6.806 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.731 7.171 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.775 6.468 -9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.481 5.247 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.107 6.927 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.386 9.108 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.906 8.525 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.896 8.155 -7.203 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.646 4.061 -8.809 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.164 2.867 -9.465 1.00 0.00 C ATOM 1071 C TYR A 72 -1.550 3.164 -10.911 1.00 0.00 C ATOM 1072 O TYR A 72 -2.010 4.261 -11.230 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.376 2.326 -8.704 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.062 1.171 -9.398 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.589 -0.128 -9.260 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.182 1.379 -10.193 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.212 -1.186 -9.893 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.812 0.327 -10.829 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.323 -0.953 -10.676 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.947 -2.004 -11.309 1.00 0.00 O ATOM 0 H TYR A 72 -1.147 4.919 -9.038 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.377 2.113 -9.465 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.058 2.005 -7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.095 3.133 -8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.719 -0.314 -8.647 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.567 2.381 -10.316 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.831 -2.190 -9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.683 0.506 -11.443 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.714 -1.670 -11.820 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.360 2.179 -11.782 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.687 2.333 -13.195 1.00 0.00 C ATOM 1092 C CYS A 73 -1.075 3.611 -13.758 1.00 0.00 C ATOM 1093 O CYS A 73 -1.603 4.202 -14.699 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.204 2.351 -13.389 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.933 0.718 -13.656 1.00 0.00 S ATOM 0 H CYS A 73 -0.981 1.265 -11.534 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.269 1.483 -13.735 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.666 2.805 -12.512 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.443 2.988 -14.241 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.131 0.138 -12.509 1.00 0.00 H new ATOM 1101 N GLY A 74 0.043 4.033 -13.175 1.00 0.00 N ATOM 1102 CA GLY A 74 0.708 5.240 -13.630 1.00 0.00 C ATOM 1103 C GLY A 74 -0.033 6.499 -13.225 1.00 0.00 C ATOM 1104 O GLY A 74 0.070 7.529 -13.890 1.00 0.00 O ATOM 0 H GLY A 74 0.500 3.560 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.718 5.270 -13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.803 5.211 -14.715 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.784 6.415 -12.132 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.548 7.556 -11.641 1.00 0.00 C ATOM 1110 C ARG A 75 -1.697 7.498 -10.123 1.00 0.00 C ATOM 1111 O ARG A 75 -2.015 6.451 -9.559 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.929 7.593 -12.298 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.797 6.392 -11.960 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.237 6.603 -12.403 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.994 5.354 -12.414 1.00 0.00 N ATOM 1116 CZ ARG A 75 -7.124 5.186 -13.092 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.624 6.181 -13.812 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.756 4.020 -13.052 1.00 0.00 N ATOM 0 H ARG A 75 -0.880 5.569 -11.570 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.005 8.464 -11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.445 8.502 -11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.806 7.649 -13.380 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.393 5.502 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.768 6.212 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.721 7.315 -11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.249 7.043 -13.400 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.636 4.568 -11.872 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.141 7.079 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.492 6.049 -14.331 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.374 3.252 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.624 3.892 -13.573 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.463 8.629 -9.467 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.571 8.709 -8.015 1.00 0.00 C ATOM 1134 C LYS A 76 -2.990 8.387 -7.557 1.00 0.00 C ATOM 1135 O LYS A 76 -3.960 8.658 -8.267 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.171 10.104 -7.529 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.835 10.159 -6.049 1.00 0.00 C ATOM 1138 CD LYS A 76 -2.066 10.458 -5.209 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.267 11.955 -5.029 1.00 0.00 C ATOM 1140 NZ LYS A 76 -2.980 12.270 -3.760 1.00 0.00 N ATOM 0 H LYS A 76 -1.197 9.504 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.893 7.973 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.309 10.446 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.986 10.799 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.403 9.208 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.079 10.925 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.946 10.026 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.966 9.983 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.298 12.455 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.834 12.349 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.098 13.300 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.915 11.814 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.426 11.916 -2.954 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.105 7.809 -6.366 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.407 7.452 -5.812 1.00 0.00 C ATOM 1156 C LEU A 77 -4.739 8.317 -4.601 1.00 0.00 C ATOM 1157 O LEU A 77 -3.973 8.379 -3.639 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.426 5.974 -5.418 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.857 4.997 -6.447 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.756 3.599 -5.857 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.716 4.987 -7.704 1.00 0.00 C ATOM 0 H LEU A 77 -2.313 7.578 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.162 7.628 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.867 5.859 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.456 5.688 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.854 5.327 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.349 2.917 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.100 3.618 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.747 3.258 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.296 4.286 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.731 4.681 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.737 5.986 -8.139 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.887 8.984 -4.654 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.324 9.844 -3.561 1.00 0.00 C ATOM 1175 C LYS A 78 -6.899 9.017 -2.414 1.00 0.00 C ATOM 1176 O LYS A 78 -7.304 7.871 -2.606 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.372 10.843 -4.058 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.776 12.133 -4.594 1.00 0.00 C ATOM 1179 CD LYS A 78 -6.305 13.040 -3.469 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.474 13.733 -2.786 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.047 14.464 -1.562 1.00 0.00 N ATOM 0 H LYS A 78 -6.532 8.945 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.456 10.390 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.966 10.374 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.053 11.079 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.938 11.902 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.519 12.655 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.749 12.455 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.619 13.788 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.939 14.431 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.230 12.994 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.872 14.923 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.626 13.794 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.344 15.187 -1.817 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.931 9.607 -1.224 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.458 8.925 -0.048 1.00 0.00 C ATOM 1197 C ASP A 79 -8.982 8.984 -0.023 1.00 0.00 C ATOM 1198 O ASP A 79 -9.618 8.471 0.898 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.891 9.551 1.227 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.833 11.064 1.154 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -7.875 11.710 1.392 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -5.746 11.603 0.857 1.00 0.00 O ATOM 0 H ASP A 79 -6.598 10.555 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.153 7.880 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.505 9.255 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.889 9.160 1.405 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.561 9.612 -1.040 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.011 9.738 -1.135 1.00 0.00 C ATOM 1209 C ASP A 80 -11.598 8.625 -1.998 1.00 0.00 C ATOM 1210 O ASP A 80 -12.815 8.453 -2.062 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.389 11.102 -1.715 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.563 12.159 -0.642 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -10.542 12.618 -0.089 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -12.721 12.528 -0.356 1.00 0.00 O ATOM 0 H ASP A 80 -9.049 10.042 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.425 9.651 -0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.617 11.422 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.315 11.008 -2.282 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.724 7.874 -2.660 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.156 6.779 -3.521 1.00 0.00 C ATOM 1221 C GLN A 81 -10.978 5.435 -2.822 1.00 0.00 C ATOM 1222 O GLN A 81 -10.412 5.360 -1.731 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.371 6.793 -4.833 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.907 7.784 -5.853 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.470 9.037 -5.209 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -10.729 9.959 -4.868 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -12.786 9.076 -5.040 1.00 0.00 N ATOM 0 H GLN A 81 -9.713 8.003 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.215 6.918 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.329 7.031 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.387 5.793 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.107 8.061 -6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.685 7.304 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.362 8.289 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.221 9.893 -4.612 1.00 0.00 H new ATOM 1236 N THR A 82 -11.466 4.374 -3.458 1.00 0.00 N ATOM 1237 CA THR A 82 -11.362 3.033 -2.897 1.00 0.00 C ATOM 1238 C THR A 82 -10.839 2.043 -3.932 1.00 0.00 C ATOM 1239 O THR A 82 -10.480 2.426 -5.046 1.00 0.00 O ATOM 1240 CB THR A 82 -12.722 2.537 -2.371 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.701 2.595 -3.414 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.183 3.375 -1.188 1.00 0.00 C ATOM 0 H THR A 82 -11.937 4.418 -4.362 1.00 0.00 H new ATOM 0 HA THR A 82 -10.659 3.092 -2.066 1.00 0.00 H new ATOM 0 HB THR A 82 -12.605 1.505 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.562 2.276 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.146 3.006 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.450 3.305 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.285 4.415 -1.497 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.798 0.769 -3.557 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.319 -0.277 -4.454 1.00 0.00 C ATOM 1252 C LEU A 83 -11.193 -0.369 -5.700 1.00 0.00 C ATOM 1253 O LEU A 83 -10.695 -0.326 -6.825 1.00 0.00 O ATOM 1254 CB LEU A 83 -10.298 -1.625 -3.732 1.00 0.00 C ATOM 1255 CG LEU A 83 -9.195 -1.811 -2.689 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.934 -2.360 -3.337 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.904 -0.496 -1.981 1.00 0.00 C ATOM 0 H LEU A 83 -11.091 0.436 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.305 -0.020 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.261 -1.767 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.201 -2.413 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.540 -2.532 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.161 -2.486 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.151 -3.324 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.585 -1.665 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.117 -0.647 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.580 0.246 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.807 -0.144 -1.482 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.500 -0.493 -5.492 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.445 -0.587 -6.599 1.00 0.00 C ATOM 1271 C ASP A 84 -13.336 0.631 -7.511 1.00 0.00 C ATOM 1272 O ASP A 84 -13.106 0.500 -8.714 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.873 -0.715 -6.068 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.909 -0.663 -7.174 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -16.201 0.450 -7.659 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.427 -1.734 -7.553 1.00 0.00 O ATOM 0 H ASP A 84 -12.929 -0.531 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.200 -1.476 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.973 -1.655 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.066 0.087 -5.356 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.503 1.815 -6.932 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.426 3.056 -7.693 1.00 0.00 C ATOM 1283 C PHE A 85 -12.393 2.945 -8.811 1.00 0.00 C ATOM 1284 O PHE A 85 -12.668 3.286 -9.962 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.071 4.224 -6.771 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.438 5.567 -7.335 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.655 6.160 -8.312 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.566 6.236 -6.888 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.990 7.395 -8.833 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.907 7.472 -7.405 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.118 8.052 -8.380 1.00 0.00 C ATOM 0 H PHE A 85 -13.693 1.941 -5.938 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.403 3.239 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.578 4.089 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.000 4.204 -6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.773 5.651 -8.671 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.186 5.787 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.371 7.847 -9.594 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.789 7.983 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.382 9.017 -8.787 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.203 2.467 -8.464 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.128 2.313 -9.436 1.00 0.00 C ATOM 1303 C TYR A 86 -10.191 0.944 -10.106 1.00 0.00 C ATOM 1304 O TYR A 86 -9.726 0.770 -11.232 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.769 2.500 -8.759 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.404 3.948 -8.523 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.069 4.782 -9.583 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.395 4.483 -7.241 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.734 6.106 -9.372 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.062 5.806 -7.020 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.732 6.613 -8.089 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.400 7.931 -7.875 1.00 0.00 O ATOM 0 H TYR A 86 -10.959 2.180 -7.516 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.253 3.078 -10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.773 1.975 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.999 2.036 -9.375 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.070 4.389 -10.589 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.653 3.854 -6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.475 6.740 -10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.060 6.206 -6.017 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.674 8.195 -6.972 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.770 -0.025 -9.405 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.885 -1.366 -9.946 1.00 0.00 C ATOM 1324 C GLY A 87 -9.626 -2.185 -9.739 1.00 0.00 C ATOM 1325 O GLY A 87 -9.353 -3.118 -10.495 1.00 0.00 O ATOM 0 H GLY A 87 -11.162 0.095 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.727 -1.874 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.105 -1.307 -11.012 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.856 -1.834 -8.714 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.619 -2.543 -8.411 1.00 0.00 C ATOM 1331 C ILE A 88 -7.860 -4.044 -8.293 1.00 0.00 C ATOM 1332 O ILE A 88 -8.858 -4.479 -7.719 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.984 -2.033 -7.104 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.387 -0.639 -7.312 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.918 -3.004 -6.619 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.362 0.201 -6.054 1.00 0.00 C ATOM 0 H ILE A 88 -9.067 -1.063 -8.080 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.935 -2.351 -9.238 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.760 -1.966 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.370 -0.741 -7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.962 -0.117 -8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.478 -2.630 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.370 -3.979 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.141 -3.100 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.926 1.175 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.379 0.334 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.763 -0.300 -5.294 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.938 -4.831 -8.840 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.051 -6.284 -8.795 1.00 0.00 C ATOM 1350 C GLN A 89 -6.047 -6.877 -7.812 1.00 0.00 C ATOM 1351 O GLN A 89 -4.993 -6.302 -7.540 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.831 -6.877 -10.188 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.880 -6.453 -11.202 1.00 0.00 C ATOM 1354 CD GLN A 89 -7.509 -5.174 -11.927 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -6.340 -4.787 -11.968 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -8.503 -4.510 -12.504 1.00 0.00 N ATOM 0 H GLN A 89 -6.106 -4.487 -9.319 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.056 -6.535 -8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.847 -6.579 -10.549 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.827 -7.965 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.019 -7.252 -11.931 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.835 -6.315 -10.695 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.457 -4.867 -12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.313 -3.643 -13.006 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.379 -8.056 -7.265 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.520 -8.753 -6.304 1.00 0.00 C ATOM 1367 C PRO A 90 -4.251 -9.300 -6.951 1.00 0.00 C ATOM 1368 O PRO A 90 -3.445 -9.961 -6.298 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.403 -9.900 -5.806 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.371 -10.141 -6.912 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.620 -8.799 -7.544 1.00 0.00 C ATOM 0 HA PRO A 90 -5.172 -8.090 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.812 -10.792 -5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.916 -9.632 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.966 -10.845 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.298 -10.572 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.804 -8.887 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.490 -8.306 -7.111 1.00 0.00 H new ATOM 1379 N GLY A 91 -4.081 -9.019 -8.239 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.908 -9.490 -8.952 1.00 0.00 C ATOM 1381 C GLY A 91 -2.151 -8.365 -9.630 1.00 0.00 C ATOM 1382 O GLY A 91 -1.450 -8.586 -10.617 1.00 0.00 O ATOM 0 H GLY A 91 -4.734 -8.474 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.244 -10.002 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.211 -10.222 -9.700 1.00 0.00 H new ATOM 1386 N SER A 92 -2.293 -7.154 -9.099 1.00 0.00 N ATOM 1387 CA SER A 92 -1.621 -5.989 -9.663 1.00 0.00 C ATOM 1388 C SER A 92 -0.442 -5.568 -8.791 1.00 0.00 C ATOM 1389 O SER A 92 -0.168 -6.179 -7.757 1.00 0.00 O ATOM 1390 CB SER A 92 -2.605 -4.826 -9.806 1.00 0.00 C ATOM 1391 OG SER A 92 -3.088 -4.408 -8.541 1.00 0.00 O ATOM 0 H SER A 92 -2.867 -6.955 -8.280 1.00 0.00 H new ATOM 0 HA SER A 92 -1.243 -6.259 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.115 -3.990 -10.306 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.441 -5.129 -10.436 1.00 0.00 H new ATOM 0 HG SER A 92 -3.739 -5.060 -8.208 1.00 0.00 H new ATOM 1397 N THR A 93 0.255 -4.518 -9.216 1.00 0.00 N ATOM 1398 CA THR A 93 1.405 -4.015 -8.476 1.00 0.00 C ATOM 1399 C THR A 93 1.356 -2.497 -8.350 1.00 0.00 C ATOM 1400 O THR A 93 0.984 -1.797 -9.292 1.00 0.00 O ATOM 1401 CB THR A 93 2.729 -4.419 -9.153 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.866 -5.845 -9.148 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.916 -3.789 -8.440 1.00 0.00 C ATOM 0 H THR A 93 0.043 -4.000 -10.069 1.00 0.00 H new ATOM 0 HA THR A 93 1.362 -4.462 -7.483 1.00 0.00 H new ATOM 0 HB THR A 93 2.710 -4.059 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.709 -6.094 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.839 -4.089 -8.936 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.824 -2.703 -8.470 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.936 -4.123 -7.403 1.00 0.00 H new ATOM 1411 N VAL A 94 1.734 -1.992 -7.179 1.00 0.00 N ATOM 1412 CA VAL A 94 1.734 -0.556 -6.930 1.00 0.00 C ATOM 1413 C VAL A 94 3.140 -0.050 -6.629 1.00 0.00 C ATOM 1414 O VAL A 94 4.037 -0.831 -6.307 1.00 0.00 O ATOM 1415 CB VAL A 94 0.807 -0.190 -5.756 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.605 -0.694 -6.013 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.352 -0.750 -4.451 1.00 0.00 C ATOM 0 H VAL A 94 2.044 -2.557 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 94 1.365 -0.078 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 94 0.770 0.896 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.246 -0.426 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.993 -0.240 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.589 -1.778 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.684 -0.481 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.421 -1.836 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.342 -0.335 -4.262 1.00 0.00 H new ATOM 1427 N HIS A 95 3.327 1.261 -6.735 1.00 0.00 N ATOM 1428 CA HIS A 95 4.626 1.872 -6.473 1.00 0.00 C ATOM 1429 C HIS A 95 4.513 2.948 -5.397 1.00 0.00 C ATOM 1430 O HIS A 95 3.486 3.617 -5.279 1.00 0.00 O ATOM 1431 CB HIS A 95 5.198 2.475 -7.756 1.00 0.00 C ATOM 1432 CG HIS A 95 5.797 1.461 -8.680 1.00 0.00 C ATOM 1433 ND1 HIS A 95 7.064 0.943 -8.509 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.296 0.866 -9.787 1.00 0.00 C ATOM 1435 CE1 HIS A 95 7.317 0.075 -9.473 1.00 0.00 C ATOM 1436 NE2 HIS A 95 6.259 0.010 -10.262 1.00 0.00 N ATOM 0 H HIS A 95 2.596 1.921 -7.000 1.00 0.00 H new ATOM 0 HA HIS A 95 5.300 1.094 -6.115 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.406 3.009 -8.281 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.959 3.210 -7.494 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.320 1.033 -10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.232 -0.485 -9.595 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.172 -0.580 -11.089 1.00 0.00 H new ATOM 1445 N VAL A 96 5.575 3.108 -4.613 1.00 0.00 N ATOM 1446 CA VAL A 96 5.595 4.103 -3.548 1.00 0.00 C ATOM 1447 C VAL A 96 6.466 5.296 -3.925 1.00 0.00 C ATOM 1448 O VAL A 96 7.633 5.137 -4.288 1.00 0.00 O ATOM 1449 CB VAL A 96 6.113 3.501 -2.228 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.561 4.601 -1.278 1.00 0.00 C ATOM 1451 CG2 VAL A 96 5.043 2.633 -1.583 1.00 0.00 C ATOM 0 H VAL A 96 6.432 2.561 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 96 4.567 4.437 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 96 6.975 2.872 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.924 4.156 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.362 5.178 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.719 5.258 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.426 2.216 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.161 3.238 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.775 1.822 -2.261 1.00 0.00 H new ATOM 1461 N LEU A 97 5.893 6.491 -3.838 1.00 0.00 N ATOM 1462 CA LEU A 97 6.618 7.713 -4.170 1.00 0.00 C ATOM 1463 C LEU A 97 6.735 8.624 -2.952 1.00 0.00 C ATOM 1464 O LEU A 97 5.730 9.058 -2.390 1.00 0.00 O ATOM 1465 CB LEU A 97 5.914 8.453 -5.309 1.00 0.00 C ATOM 1466 CG LEU A 97 6.773 9.440 -6.100 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.324 10.522 -5.183 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.906 8.712 -6.809 1.00 0.00 C ATOM 0 H LEU A 97 4.929 6.640 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 97 7.622 7.435 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.513 7.714 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.064 8.994 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 97 6.145 9.916 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.933 11.215 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.498 11.063 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.936 10.064 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.507 9.430 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.533 8.209 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.491 7.975 -7.496 1.00 0.00 H new ATOM 1480 N ARG A 98 7.969 8.912 -2.552 1.00 0.00 N ATOM 1481 CA ARG A 98 8.218 9.773 -1.402 1.00 0.00 C ATOM 1482 C ARG A 98 7.923 11.231 -1.740 1.00 0.00 C ATOM 1483 O ARG A 98 8.218 11.697 -2.841 1.00 0.00 O ATOM 1484 CB ARG A 98 9.668 9.630 -0.935 1.00 0.00 C ATOM 1485 CG ARG A 98 10.038 8.215 -0.520 1.00 0.00 C ATOM 1486 CD ARG A 98 11.314 8.193 0.307 1.00 0.00 C ATOM 1487 NE ARG A 98 12.504 8.055 -0.528 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.117 9.081 -1.109 1.00 0.00 C ATOM 1489 NH1 ARG A 98 12.654 10.313 -0.946 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.196 8.875 -1.854 1.00 0.00 N ATOM 0 H ARG A 98 8.812 8.562 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 98 7.552 9.463 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.332 9.950 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.838 10.302 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.222 7.778 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.168 7.596 -1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.384 9.111 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.272 7.367 1.017 1.00 0.00 H new ATOM 0 HE ARG A 98 12.885 7.120 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.825 10.475 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.126 11.099 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.555 7.929 -1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.666 9.663 -2.300 1.00 0.00 H new ATOM 1504 N LYS A 99 7.338 11.947 -0.786 1.00 0.00 N ATOM 1505 CA LYS A 99 7.003 13.353 -0.981 1.00 0.00 C ATOM 1506 C LYS A 99 8.258 14.220 -0.961 1.00 0.00 C ATOM 1507 O LYS A 99 9.295 13.815 -0.435 1.00 0.00 O ATOM 1508 CB LYS A 99 6.030 13.822 0.104 1.00 0.00 C ATOM 1509 CG LYS A 99 4.643 13.215 -0.020 1.00 0.00 C ATOM 1510 CD LYS A 99 3.754 13.612 1.146 1.00 0.00 C ATOM 1511 CE LYS A 99 2.344 13.064 0.985 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.362 13.806 1.822 1.00 0.00 N ATOM 0 H LYS A 99 7.086 11.577 0.130 1.00 0.00 H new ATOM 0 HA LYS A 99 6.528 13.455 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.441 13.572 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.947 14.908 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.185 13.539 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.723 12.129 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.185 13.242 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.716 14.699 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.048 13.125 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.331 12.009 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.401 13.637 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.426 13.476 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.572 14.824 1.784 1.00 0.00 H new ATOM 1526 N SER A 100 8.156 15.414 -1.537 1.00 0.00 N ATOM 1527 CA SER A 100 9.284 16.336 -1.587 1.00 0.00 C ATOM 1528 C SER A 100 9.193 17.368 -0.467 1.00 0.00 C ATOM 1529 O SER A 100 8.689 18.473 -0.666 1.00 0.00 O ATOM 1530 CB SER A 100 9.332 17.043 -2.943 1.00 0.00 C ATOM 1531 OG SER A 100 10.499 17.838 -3.063 1.00 0.00 O ATOM 0 H SER A 100 7.304 15.765 -1.975 1.00 0.00 H new ATOM 0 HA SER A 100 10.199 15.759 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.308 16.303 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.448 17.669 -3.062 1.00 0.00 H new ATOM 0 HG SER A 100 10.507 18.278 -3.939 1.00 0.00 H new ATOM 1537 N TRP A 101 9.683 16.997 0.711 1.00 0.00 N ATOM 1538 CA TRP A 101 9.657 17.890 1.864 1.00 0.00 C ATOM 1539 C TRP A 101 10.871 17.660 2.758 1.00 0.00 C ATOM 1540 O TRP A 101 11.283 16.522 2.979 1.00 0.00 O ATOM 1541 CB TRP A 101 8.371 17.683 2.666 1.00 0.00 C ATOM 1542 CG TRP A 101 8.516 18.022 4.119 1.00 0.00 C ATOM 1543 CD1 TRP A 101 8.426 17.160 5.175 1.00 0.00 C ATOM 1544 CD2 TRP A 101 8.775 19.316 4.675 1.00 0.00 C ATOM 1545 NE1 TRP A 101 8.613 17.841 6.354 1.00 0.00 N ATOM 1546 CE2 TRP A 101 8.830 19.164 6.075 1.00 0.00 C ATOM 1547 CE3 TRP A 101 8.968 20.587 4.127 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 9.069 20.236 6.930 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 9.204 21.650 4.978 1.00 0.00 C ATOM 1550 CH2 TRP A 101 9.254 21.469 6.367 1.00 0.00 C ATOM 0 H TRP A 101 10.103 16.085 0.893 1.00 0.00 H new ATOM 0 HA TRP A 101 9.688 18.916 1.498 1.00 0.00 H new ATOM 0 HB2 TRP A 101 7.580 18.296 2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 101 8.056 16.644 2.572 1.00 0.00 H new ATOM 0 HD1 TRP A 101 8.236 16.100 5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 101 8.593 17.428 7.286 1.00 0.00 H new ATOM 0 HE3 TRP A 101 8.933 20.736 3.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 9.107 20.099 8.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.352 22.637 4.566 1.00 0.00 H new ATOM 0 HH2 TRP A 101 9.442 22.320 7.005 1.00 0.00 H new ATOM 1561 N SER A 102 11.439 18.748 3.268 1.00 0.00 N ATOM 1562 CA SER A 102 12.608 18.664 4.135 1.00 0.00 C ATOM 1563 C SER A 102 12.547 17.416 5.011 1.00 0.00 C ATOM 1564 O SER A 102 13.323 16.479 4.831 1.00 0.00 O ATOM 1565 CB SER A 102 12.709 19.913 5.013 1.00 0.00 C ATOM 1566 OG SER A 102 12.832 21.083 4.223 1.00 0.00 O ATOM 0 H SER A 102 11.109 19.698 3.096 1.00 0.00 H new ATOM 0 HA SER A 102 13.494 18.600 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.825 19.989 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.569 19.826 5.677 1.00 0.00 H new ATOM 0 HG SER A 102 12.893 21.867 4.807 1.00 0.00 H new ATOM 1572 N GLY A 103 11.617 17.413 5.962 1.00 0.00 N ATOM 1573 CA GLY A 103 11.471 16.277 6.852 1.00 0.00 C ATOM 1574 C GLY A 103 12.339 16.394 8.089 1.00 0.00 C ATOM 1575 O GLY A 103 13.446 15.861 8.149 1.00 0.00 O ATOM 0 H GLY A 103 10.963 18.177 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.427 16.186 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 103 11.729 15.364 6.316 1.00 0.00 H new ATOM 1579 N PRO A 104 11.833 17.109 9.106 1.00 0.00 N ATOM 1580 CA PRO A 104 12.555 17.312 10.366 1.00 0.00 C ATOM 1581 C PRO A 104 12.657 16.032 11.188 1.00 0.00 C ATOM 1582 O PRO A 104 12.129 14.990 10.801 1.00 0.00 O ATOM 1583 CB PRO A 104 11.702 18.352 11.098 1.00 0.00 C ATOM 1584 CG PRO A 104 10.332 18.180 10.539 1.00 0.00 C ATOM 1585 CD PRO A 104 10.519 17.773 9.104 1.00 0.00 C ATOM 0 HA PRO A 104 13.586 17.626 10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.714 18.186 12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.075 19.362 10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.778 17.421 11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.762 19.106 10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.729 17.100 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.505 18.635 8.437 1.00 0.00 H new ATOM 1593 N SER A 105 13.340 16.118 12.325 1.00 0.00 N ATOM 1594 CA SER A 105 13.515 14.966 13.201 1.00 0.00 C ATOM 1595 C SER A 105 12.927 15.239 14.582 1.00 0.00 C ATOM 1596 O SER A 105 13.178 16.286 15.180 1.00 0.00 O ATOM 1597 CB SER A 105 14.998 14.613 13.326 1.00 0.00 C ATOM 1598 OG SER A 105 15.743 15.711 13.823 1.00 0.00 O ATOM 0 H SER A 105 13.781 16.974 12.661 1.00 0.00 H new ATOM 0 HA SER A 105 12.985 14.122 12.760 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.117 13.758 13.991 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.388 14.316 12.352 1.00 0.00 H new ATOM 0 HG SER A 105 16.687 15.460 13.895 1.00 0.00 H new ATOM 1604 N SER A 106 12.144 14.289 15.084 1.00 0.00 N ATOM 1605 CA SER A 106 11.518 14.427 16.393 1.00 0.00 C ATOM 1606 C SER A 106 12.559 14.347 17.505 1.00 0.00 C ATOM 1607 O SER A 106 12.972 13.260 17.908 1.00 0.00 O ATOM 1608 CB SER A 106 10.458 13.342 16.592 1.00 0.00 C ATOM 1609 OG SER A 106 11.016 12.049 16.432 1.00 0.00 O ATOM 0 H SER A 106 11.928 13.416 14.603 1.00 0.00 H new ATOM 0 HA SER A 106 11.039 15.405 16.438 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.022 13.433 17.587 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.649 13.484 15.875 1.00 0.00 H new ATOM 0 HG SER A 106 11.893 12.015 16.868 1.00 0.00 H new ATOM 1615 N GLY A 107 12.980 15.508 17.999 1.00 0.00 N ATOM 1616 CA GLY A 107 13.969 15.549 19.059 1.00 0.00 C ATOM 1617 C GLY A 107 13.653 16.597 20.108 1.00 0.00 C ATOM 1618 O GLY A 107 12.671 16.475 20.840 1.00 0.00 O ATOM 0 H GLY A 107 12.653 16.421 17.683 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.028 14.570 19.534 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.949 15.754 18.629 1.00 0.00 H new TER 1622 GLY A 107