USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= -9.9! C(o=-24!,f=-31!) USER MOD Set 1.2: A 69 GLN : amide:sc= -13.9! C(o=-24!,f=-26!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.657 (180deg=0.171) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 11 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.056) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.378 K(o=-0.38,f=-3.1!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HE2:sc= -4.84! C(o=-4.8!,f=-4.5!) USER MOD Single : A 36 GLN : amide:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= -0.0755 (180deg=-0.392) USER MOD Single : A 42 SER OG : rot 46:sc= 0.415 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -31:sc= 0.238 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 51 HIS : no HE2:sc= -5! C(o=-5!,f=-3.6!) USER MOD Single : A 58 ASN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -56:sc= 0.609 USER MOD Single : A 73 TYR OH : rot 90:sc= -3.22! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 159:sc= -0.282 (180deg=-0.437) USER MOD Single : A 81 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.026 -19.345 11.812 1.00 0.00 N ATOM 2 CA MET A 1 32.051 -17.997 11.269 1.00 0.00 C ATOM 3 C MET A 1 30.772 -17.238 11.630 1.00 0.00 C ATOM 4 O MET A 1 30.735 -16.515 12.625 1.00 0.00 O ATOM 5 CB MET A 1 32.194 -18.063 9.747 1.00 0.00 C ATOM 6 CG MET A 1 33.622 -18.437 9.347 1.00 0.00 C ATOM 7 SD MET A 1 33.757 -20.206 9.150 1.00 0.00 S ATOM 8 CE MET A 1 35.296 -20.302 8.252 1.00 0.00 C ATOM 0 H1 MET A 1 32.530 -19.988 11.168 1.00 0.00 H new ATOM 0 H2 MET A 1 32.490 -19.353 12.743 1.00 0.00 H new ATOM 0 H3 MET A 1 31.040 -19.660 11.914 1.00 0.00 H new ATOM 0 HA MET A 1 32.900 -17.466 11.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.496 -18.796 9.344 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.931 -17.099 9.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.890 -17.938 8.416 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.323 -18.093 10.107 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.532 -21.346 8.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 35.203 -19.758 7.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 36.094 -19.861 8.849 1.00 0.00 H new ATOM 18 N ARG A 2 29.756 -17.427 10.802 1.00 0.00 N ATOM 19 CA ARG A 2 28.479 -16.769 11.021 1.00 0.00 C ATOM 20 C ARG A 2 27.435 -17.291 10.032 1.00 0.00 C ATOM 21 O ARG A 2 27.749 -17.544 8.869 1.00 0.00 O ATOM 22 CB ARG A 2 28.607 -15.253 10.863 1.00 0.00 C ATOM 23 CG ARG A 2 27.547 -14.523 11.691 1.00 0.00 C ATOM 24 CD ARG A 2 28.036 -14.283 13.121 1.00 0.00 C ATOM 25 NE ARG A 2 27.016 -14.742 14.090 1.00 0.00 N ATOM 26 CZ ARG A 2 25.763 -14.272 14.140 1.00 0.00 C ATOM 27 NH1 ARG A 2 25.366 -13.326 13.278 1.00 0.00 N ATOM 28 NH2 ARG A 2 24.906 -14.748 15.053 1.00 0.00 N ATOM 0 H ARG A 2 29.791 -18.027 9.978 1.00 0.00 H new ATOM 0 HA ARG A 2 28.162 -16.992 12.040 1.00 0.00 H new ATOM 0 HB2 ARG A 2 29.601 -14.934 11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 2 28.502 -14.983 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 2 27.306 -13.570 11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 2 26.629 -15.110 11.711 1.00 0.00 H new ATOM 0 HD2 ARG A 2 28.973 -14.815 13.288 1.00 0.00 H new ATOM 0 HD3 ARG A 2 28.240 -13.223 13.271 1.00 0.00 H new ATOM 0 HE ARG A 2 27.284 -15.461 14.762 1.00 0.00 H new ATOM 0 HH11 ARG A 2 26.018 -12.963 12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 2 24.411 -12.969 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.208 -15.468 15.709 1.00 0.00 H new ATOM 0 HH22 ARG A 2 23.951 -14.391 15.092 1.00 0.00 H new ATOM 42 N SER A 3 26.216 -17.439 10.530 1.00 0.00 N ATOM 43 CA SER A 3 25.125 -17.927 9.705 1.00 0.00 C ATOM 44 C SER A 3 23.828 -17.204 10.071 1.00 0.00 C ATOM 45 O SER A 3 23.407 -17.225 11.227 1.00 0.00 O ATOM 46 CB SER A 3 24.952 -19.439 9.857 1.00 0.00 C ATOM 47 OG SER A 3 24.136 -19.991 8.828 1.00 0.00 O ATOM 0 H SER A 3 25.960 -17.229 11.495 1.00 0.00 H new ATOM 0 HA SER A 3 25.366 -17.720 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.930 -19.919 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.507 -19.657 10.828 1.00 0.00 H new ATOM 0 HG SER A 3 24.052 -20.958 8.961 1.00 0.00 H new ATOM 53 N LEU A 4 23.229 -16.582 9.066 1.00 0.00 N ATOM 54 CA LEU A 4 21.988 -15.854 9.269 1.00 0.00 C ATOM 55 C LEU A 4 21.280 -15.678 7.925 1.00 0.00 C ATOM 56 O LEU A 4 21.930 -15.554 6.888 1.00 0.00 O ATOM 57 CB LEU A 4 22.253 -14.537 10.002 1.00 0.00 C ATOM 58 CG LEU A 4 23.306 -13.621 9.376 1.00 0.00 C ATOM 59 CD1 LEU A 4 22.649 -12.533 8.524 1.00 0.00 C ATOM 60 CD2 LEU A 4 24.227 -13.033 10.447 1.00 0.00 C ATOM 0 H LEU A 4 23.580 -16.567 8.109 1.00 0.00 H new ATOM 0 HA LEU A 4 21.315 -16.420 9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 4 21.315 -13.986 10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.561 -14.767 11.022 1.00 0.00 H new ATOM 0 HG LEU A 4 23.928 -14.219 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 4 23.420 -11.895 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 4 22.070 -12.996 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 4 21.989 -11.931 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 4 24.966 -12.386 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 4 23.636 -12.453 11.156 1.00 0.00 H new ATOM 0 HD23 LEU A 4 24.735 -13.841 10.973 1.00 0.00 H new ATOM 72 N GLU A 5 19.956 -15.672 7.985 1.00 0.00 N ATOM 73 CA GLU A 5 19.152 -15.513 6.785 1.00 0.00 C ATOM 74 C GLU A 5 18.542 -14.111 6.737 1.00 0.00 C ATOM 75 O GLU A 5 18.228 -13.532 7.776 1.00 0.00 O ATOM 76 CB GLU A 5 18.066 -16.588 6.706 1.00 0.00 C ATOM 77 CG GLU A 5 17.490 -16.682 5.292 1.00 0.00 C ATOM 78 CD GLU A 5 17.592 -18.110 4.752 1.00 0.00 C ATOM 79 OE1 GLU A 5 16.914 -18.985 5.333 1.00 0.00 O ATOM 80 OE2 GLU A 5 18.343 -18.293 3.771 1.00 0.00 O ATOM 0 H GLU A 5 19.420 -15.775 8.847 1.00 0.00 H new ATOM 0 HA GLU A 5 19.801 -15.635 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.482 -17.552 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.269 -16.357 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.447 -16.366 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.026 -16.000 4.631 1.00 0.00 H new ATOM 87 N THR A 6 18.391 -13.607 5.522 1.00 0.00 N ATOM 88 CA THR A 6 17.823 -12.284 5.325 1.00 0.00 C ATOM 89 C THR A 6 16.304 -12.374 5.172 1.00 0.00 C ATOM 90 O THR A 6 15.766 -13.445 4.896 1.00 0.00 O ATOM 91 CB THR A 6 18.519 -11.645 4.121 1.00 0.00 C ATOM 92 OG1 THR A 6 18.318 -12.582 3.067 1.00 0.00 O ATOM 93 CG2 THR A 6 20.039 -11.589 4.286 1.00 0.00 C ATOM 0 H THR A 6 18.652 -14.091 4.663 1.00 0.00 H new ATOM 0 HA THR A 6 17.994 -11.647 6.193 1.00 0.00 H new ATOM 0 HB THR A 6 18.133 -10.637 3.971 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.736 -12.246 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 6 20.484 -11.127 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 6 20.288 -11.000 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 6 20.430 -12.600 4.402 1.00 0.00 H new ATOM 101 N PHE A 7 15.654 -11.234 5.356 1.00 0.00 N ATOM 102 CA PHE A 7 14.207 -11.170 5.241 1.00 0.00 C ATOM 103 C PHE A 7 13.743 -9.741 4.953 1.00 0.00 C ATOM 104 O PHE A 7 14.561 -8.857 4.699 1.00 0.00 O ATOM 105 CB PHE A 7 13.631 -11.620 6.585 1.00 0.00 C ATOM 106 CG PHE A 7 12.215 -12.193 6.496 1.00 0.00 C ATOM 107 CD1 PHE A 7 11.919 -13.127 5.553 1.00 0.00 C ATOM 108 CD2 PHE A 7 11.254 -11.768 7.358 1.00 0.00 C ATOM 109 CE1 PHE A 7 10.605 -13.659 5.469 1.00 0.00 C ATOM 110 CE2 PHE A 7 9.940 -12.300 7.275 1.00 0.00 C ATOM 111 CZ PHE A 7 9.644 -13.234 6.332 1.00 0.00 C ATOM 0 H PHE A 7 16.103 -10.347 5.584 1.00 0.00 H new ATOM 0 HA PHE A 7 13.870 -11.805 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.290 -12.373 7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.626 -10.771 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.683 -13.464 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.490 -11.026 8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.369 -14.401 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.176 -11.963 7.960 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.645 -13.639 6.268 1.00 0.00 H new ATOM 121 N VAL A 8 12.430 -9.558 5.001 1.00 0.00 N ATOM 122 CA VAL A 8 11.848 -8.251 4.748 1.00 0.00 C ATOM 123 C VAL A 8 10.572 -8.098 5.579 1.00 0.00 C ATOM 124 O VAL A 8 9.994 -9.088 6.023 1.00 0.00 O ATOM 125 CB VAL A 8 11.611 -8.065 3.248 1.00 0.00 C ATOM 126 CG1 VAL A 8 11.569 -6.581 2.879 1.00 0.00 C ATOM 127 CG2 VAL A 8 12.671 -8.804 2.429 1.00 0.00 C ATOM 0 H VAL A 8 11.754 -10.293 5.211 1.00 0.00 H new ATOM 0 HA VAL A 8 12.533 -7.461 5.055 1.00 0.00 H new ATOM 0 HB VAL A 8 10.640 -8.498 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.399 -6.477 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.760 -6.093 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.518 -6.113 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.479 -8.655 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.659 -8.415 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.632 -9.869 2.659 1.00 0.00 H new ATOM 137 N GLY A 9 10.172 -6.848 5.764 1.00 0.00 N ATOM 138 CA GLY A 9 8.976 -6.552 6.533 1.00 0.00 C ATOM 139 C GLY A 9 8.034 -5.634 5.752 1.00 0.00 C ATOM 140 O GLY A 9 8.361 -4.476 5.496 1.00 0.00 O ATOM 0 H GLY A 9 10.655 -6.029 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.461 -7.480 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.253 -6.078 7.475 1.00 0.00 H new ATOM 144 N ASP A 10 6.884 -6.185 5.393 1.00 0.00 N ATOM 145 CA ASP A 10 5.893 -5.430 4.646 1.00 0.00 C ATOM 146 C ASP A 10 5.541 -4.156 5.417 1.00 0.00 C ATOM 147 O ASP A 10 5.946 -3.990 6.566 1.00 0.00 O ATOM 148 CB ASP A 10 4.608 -6.240 4.460 1.00 0.00 C ATOM 149 CG ASP A 10 4.306 -7.238 5.578 1.00 0.00 C ATOM 150 OD1 ASP A 10 3.939 -6.767 6.677 1.00 0.00 O ATOM 151 OD2 ASP A 10 4.448 -8.451 5.311 1.00 0.00 O ATOM 0 H ASP A 10 6.616 -7.146 5.606 1.00 0.00 H new ATOM 0 HA ASP A 10 6.315 -5.194 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.770 -5.549 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.672 -6.782 3.517 1.00 0.00 H new ATOM 156 N GLN A 11 4.790 -3.289 4.753 1.00 0.00 N ATOM 157 CA GLN A 11 4.379 -2.035 5.361 1.00 0.00 C ATOM 158 C GLN A 11 3.026 -1.592 4.801 1.00 0.00 C ATOM 159 O GLN A 11 2.784 -1.695 3.600 1.00 0.00 O ATOM 160 CB GLN A 11 5.439 -0.951 5.155 1.00 0.00 C ATOM 161 CG GLN A 11 5.031 0.354 5.841 1.00 0.00 C ATOM 162 CD GLN A 11 5.130 1.536 4.876 1.00 0.00 C ATOM 163 OE1 GLN A 11 4.461 1.596 3.857 1.00 0.00 O ATOM 164 NE2 GLN A 11 6.001 2.469 5.250 1.00 0.00 N ATOM 0 H GLN A 11 4.456 -3.431 3.800 1.00 0.00 H new ATOM 0 HA GLN A 11 4.272 -2.193 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.395 -1.292 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.582 -0.776 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.010 0.269 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.672 0.531 6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.529 2.356 6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.141 3.297 4.671 1.00 0.00 H new ATOM 173 N VAL A 12 2.180 -1.108 5.699 1.00 0.00 N ATOM 174 CA VAL A 12 0.858 -0.649 5.310 1.00 0.00 C ATOM 175 C VAL A 12 0.916 0.846 4.988 1.00 0.00 C ATOM 176 O VAL A 12 1.895 1.517 5.311 1.00 0.00 O ATOM 177 CB VAL A 12 -0.156 -0.985 6.404 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.537 -1.262 5.806 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.321 -2.167 7.249 1.00 0.00 C ATOM 0 H VAL A 12 2.385 -1.024 6.695 1.00 0.00 H new ATOM 0 HA VAL A 12 0.526 -1.164 4.408 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.242 -0.117 7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.239 -1.498 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.884 -0.380 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.473 -2.105 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.418 -2.385 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.450 -3.042 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.272 -1.918 7.719 1.00 0.00 H new ATOM 189 N LEU A 13 -0.145 1.324 4.355 1.00 0.00 N ATOM 190 CA LEU A 13 -0.227 2.727 3.986 1.00 0.00 C ATOM 191 C LEU A 13 -1.694 3.110 3.776 1.00 0.00 C ATOM 192 O LEU A 13 -2.513 2.268 3.411 1.00 0.00 O ATOM 193 CB LEU A 13 0.662 3.016 2.776 1.00 0.00 C ATOM 194 CG LEU A 13 0.019 2.803 1.404 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.377 4.138 0.771 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.934 1.985 0.490 1.00 0.00 C ATOM 0 H LEU A 13 -0.955 0.765 4.088 1.00 0.00 H new ATOM 0 HA LEU A 13 0.155 3.355 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.002 4.050 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.548 2.384 2.842 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.896 2.227 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.832 3.958 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.092 4.649 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.510 4.760 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.453 1.848 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.879 2.512 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.123 1.011 0.942 1.00 0.00 H new ATOM 208 N GLU A 14 -1.980 4.381 4.016 1.00 0.00 N ATOM 209 CA GLU A 14 -3.333 4.886 3.857 1.00 0.00 C ATOM 210 C GLU A 14 -3.495 5.555 2.492 1.00 0.00 C ATOM 211 O GLU A 14 -2.539 6.114 1.953 1.00 0.00 O ATOM 212 CB GLU A 14 -3.694 5.853 4.988 1.00 0.00 C ATOM 213 CG GLU A 14 -4.861 6.757 4.585 1.00 0.00 C ATOM 214 CD GLU A 14 -5.384 7.545 5.788 1.00 0.00 C ATOM 215 OE1 GLU A 14 -5.945 6.892 6.694 1.00 0.00 O ATOM 216 OE2 GLU A 14 -5.211 8.783 5.773 1.00 0.00 O ATOM 0 H GLU A 14 -1.298 5.076 4.319 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.022 4.043 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.958 5.289 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.827 6.463 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.539 7.447 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.665 6.153 4.164 1.00 0.00 H new ATOM 223 N ILE A 15 -4.710 5.477 1.969 1.00 0.00 N ATOM 224 CA ILE A 15 -5.007 6.069 0.676 1.00 0.00 C ATOM 225 C ILE A 15 -6.359 6.782 0.745 1.00 0.00 C ATOM 226 O ILE A 15 -7.295 6.287 1.370 1.00 0.00 O ATOM 227 CB ILE A 15 -4.925 5.013 -0.428 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.637 4.197 -0.311 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.076 5.652 -1.810 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.716 2.924 -1.158 1.00 0.00 C ATOM 0 H ILE A 15 -5.500 5.013 2.417 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.261 6.822 0.421 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.757 4.320 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.789 4.801 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.462 3.934 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.014 4.880 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.042 6.152 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.279 6.380 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.788 2.362 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.550 2.311 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.866 3.192 -2.204 1.00 0.00 H new ATOM 242 N VAL A 16 -6.417 7.936 0.095 1.00 0.00 N ATOM 243 CA VAL A 16 -7.639 8.722 0.074 1.00 0.00 C ATOM 244 C VAL A 16 -7.909 9.200 -1.353 1.00 0.00 C ATOM 245 O VAL A 16 -7.410 10.246 -1.766 1.00 0.00 O ATOM 246 CB VAL A 16 -7.538 9.871 1.081 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.874 10.605 1.209 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.058 9.365 2.444 1.00 0.00 C ATOM 0 H VAL A 16 -5.638 8.345 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.490 8.113 0.378 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.799 10.580 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.776 11.416 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.159 11.014 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.641 9.909 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.995 10.201 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.762 8.626 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.075 8.907 2.336 1.00 0.00 H new ATOM 258 N PRO A 17 -8.720 8.392 -2.087 1.00 0.00 N ATOM 259 CA PRO A 17 -9.062 8.723 -3.460 1.00 0.00 C ATOM 260 C PRO A 17 -10.088 9.856 -3.512 1.00 0.00 C ATOM 261 O PRO A 17 -10.533 10.343 -2.473 1.00 0.00 O ATOM 262 CB PRO A 17 -9.580 7.425 -4.059 1.00 0.00 C ATOM 263 CG PRO A 17 -9.943 6.537 -2.881 1.00 0.00 C ATOM 264 CD PRO A 17 -9.329 7.147 -1.631 1.00 0.00 C ATOM 0 HA PRO A 17 -8.210 9.097 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.448 7.607 -4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.822 6.954 -4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.026 6.463 -2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.568 5.525 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.085 7.332 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.587 6.482 -1.189 1.00 0.00 H new ATOM 272 N SER A 18 -10.435 10.243 -4.730 1.00 0.00 N ATOM 273 CA SER A 18 -11.400 11.311 -4.930 1.00 0.00 C ATOM 274 C SER A 18 -12.218 11.044 -6.195 1.00 0.00 C ATOM 275 O SER A 18 -13.442 11.174 -6.186 1.00 0.00 O ATOM 276 CB SER A 18 -10.706 12.670 -5.025 1.00 0.00 C ATOM 277 OG SER A 18 -9.391 12.564 -5.565 1.00 0.00 O ATOM 0 H SER A 18 -10.065 9.836 -5.589 1.00 0.00 H new ATOM 0 HA SER A 18 -12.068 11.335 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.301 13.337 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.655 13.121 -4.034 1.00 0.00 H new ATOM 0 HG SER A 18 -8.983 13.454 -5.610 1.00 0.00 H new ATOM 283 N ASN A 19 -11.511 10.676 -7.253 1.00 0.00 N ATOM 284 CA ASN A 19 -12.158 10.391 -8.523 1.00 0.00 C ATOM 285 C ASN A 19 -12.197 8.878 -8.741 1.00 0.00 C ATOM 286 O ASN A 19 -11.732 8.113 -7.898 1.00 0.00 O ATOM 287 CB ASN A 19 -11.386 11.017 -9.687 1.00 0.00 C ATOM 288 CG ASN A 19 -11.448 12.544 -9.628 1.00 0.00 C ATOM 289 OD1 ASN A 19 -10.541 13.211 -9.156 1.00 0.00 O ATOM 290 ND2 ASN A 19 -12.566 13.060 -10.132 1.00 0.00 N ATOM 0 H ASN A 19 -10.497 10.569 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.164 10.809 -8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.347 10.690 -9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.802 10.669 -10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.703 14.071 -10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.286 12.445 -10.512 1.00 0.00 H new ATOM 297 N GLU A 20 -12.756 8.490 -9.879 1.00 0.00 N ATOM 298 CA GLU A 20 -12.862 7.081 -10.219 1.00 0.00 C ATOM 299 C GLU A 20 -11.555 6.586 -10.843 1.00 0.00 C ATOM 300 O GLU A 20 -11.097 5.486 -10.540 1.00 0.00 O ATOM 301 CB GLU A 20 -14.047 6.830 -11.154 1.00 0.00 C ATOM 302 CG GLU A 20 -15.328 6.573 -10.359 1.00 0.00 C ATOM 303 CD GLU A 20 -16.258 7.786 -10.410 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.655 8.149 -11.539 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.553 8.321 -9.321 1.00 0.00 O ATOM 0 H GLU A 20 -13.140 9.127 -10.577 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.040 6.518 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.187 7.691 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.834 5.974 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.841 5.700 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.078 6.346 -9.323 1.00 0.00 H new ATOM 312 N GLU A 21 -10.993 7.423 -11.703 1.00 0.00 N ATOM 313 CA GLU A 21 -9.749 7.084 -12.372 1.00 0.00 C ATOM 314 C GLU A 21 -8.694 6.660 -11.348 1.00 0.00 C ATOM 315 O GLU A 21 -8.057 5.620 -11.503 1.00 0.00 O ATOM 316 CB GLU A 21 -9.248 8.253 -13.223 1.00 0.00 C ATOM 317 CG GLU A 21 -7.755 8.112 -13.523 1.00 0.00 C ATOM 318 CD GLU A 21 -7.418 8.678 -14.905 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.258 9.915 -14.987 1.00 0.00 O ATOM 320 OE2 GLU A 21 -7.329 7.862 -15.847 1.00 0.00 O ATOM 0 H GLU A 21 -11.376 8.335 -11.952 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.936 6.244 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.808 8.294 -14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.431 9.192 -12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.176 8.634 -12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.469 7.061 -13.476 1.00 0.00 H new ATOM 327 N GLN A 22 -8.541 7.489 -10.326 1.00 0.00 N ATOM 328 CA GLN A 22 -7.574 7.212 -9.276 1.00 0.00 C ATOM 329 C GLN A 22 -7.851 5.846 -8.646 1.00 0.00 C ATOM 330 O GLN A 22 -6.930 5.063 -8.422 1.00 0.00 O ATOM 331 CB GLN A 22 -7.583 8.317 -8.218 1.00 0.00 C ATOM 332 CG GLN A 22 -6.587 9.423 -8.572 1.00 0.00 C ATOM 333 CD GLN A 22 -7.314 10.697 -9.008 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.050 10.719 -9.981 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.066 11.751 -8.238 1.00 0.00 N ATOM 0 H GLN A 22 -9.070 8.352 -10.202 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.579 7.189 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.585 8.738 -8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.333 7.895 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.955 9.638 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.930 9.083 -9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.439 11.662 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.503 12.649 -8.447 1.00 0.00 H new ATOM 344 N ILE A 23 -9.125 5.602 -8.376 1.00 0.00 N ATOM 345 CA ILE A 23 -9.536 4.345 -7.775 1.00 0.00 C ATOM 346 C ILE A 23 -9.323 3.211 -8.780 1.00 0.00 C ATOM 347 O ILE A 23 -8.829 2.143 -8.421 1.00 0.00 O ATOM 348 CB ILE A 23 -10.971 4.443 -7.253 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.021 5.203 -5.926 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.611 3.057 -7.143 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.452 5.625 -5.590 1.00 0.00 C ATOM 0 H ILE A 23 -9.887 6.254 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.920 4.120 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.558 5.013 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.626 4.574 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.382 6.084 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.630 3.156 -6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.628 2.585 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.031 2.442 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.460 6.163 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.835 6.273 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.083 4.740 -5.510 1.00 0.00 H new ATOM 363 N LYS A 24 -9.709 3.481 -10.018 1.00 0.00 N ATOM 364 CA LYS A 24 -9.567 2.497 -11.078 1.00 0.00 C ATOM 365 C LYS A 24 -8.086 2.158 -11.259 1.00 0.00 C ATOM 366 O LYS A 24 -7.747 1.154 -11.883 1.00 0.00 O ATOM 367 CB LYS A 24 -10.246 2.987 -12.359 1.00 0.00 C ATOM 368 CG LYS A 24 -9.605 2.353 -13.595 1.00 0.00 C ATOM 369 CD LYS A 24 -10.237 2.896 -14.879 1.00 0.00 C ATOM 370 CE LYS A 24 -11.615 2.274 -15.118 1.00 0.00 C ATOM 371 NZ LYS A 24 -12.243 2.854 -16.326 1.00 0.00 N ATOM 0 H LYS A 24 -10.120 4.367 -10.311 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.076 1.572 -10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.308 2.742 -12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.171 4.073 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.534 2.556 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.724 1.270 -13.556 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.330 3.980 -14.812 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.586 2.683 -15.727 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.518 1.195 -15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.253 2.445 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.177 2.421 -16.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.353 3.881 -16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.641 2.668 -17.153 1.00 0.00 H new ATOM 385 N ASN A 25 -7.243 3.015 -10.700 1.00 0.00 N ATOM 386 CA ASN A 25 -5.806 2.819 -10.791 1.00 0.00 C ATOM 387 C ASN A 25 -5.401 1.634 -9.912 1.00 0.00 C ATOM 388 O ASN A 25 -4.759 0.696 -10.385 1.00 0.00 O ATOM 389 CB ASN A 25 -5.050 4.053 -10.299 1.00 0.00 C ATOM 390 CG ASN A 25 -3.710 4.201 -11.023 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.644 4.112 -10.436 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.823 4.430 -12.328 1.00 0.00 N ATOM 0 H ASN A 25 -7.528 3.847 -10.183 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.556 2.636 -11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.656 4.944 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.880 3.976 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.986 4.543 -12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.746 4.493 -12.757 1.00 0.00 H new ATOM 399 N LEU A 26 -5.792 1.714 -8.650 1.00 0.00 N ATOM 400 CA LEU A 26 -5.477 0.660 -7.700 1.00 0.00 C ATOM 401 C LEU A 26 -5.908 -0.689 -8.280 1.00 0.00 C ATOM 402 O LEU A 26 -5.081 -1.579 -8.469 1.00 0.00 O ATOM 403 CB LEU A 26 -6.095 0.967 -6.334 1.00 0.00 C ATOM 404 CG LEU A 26 -5.325 0.448 -5.118 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.210 1.418 -4.720 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.273 0.155 -3.953 1.00 0.00 C ATOM 0 H LEU A 26 -6.325 2.493 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.401 0.607 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.199 2.048 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.100 0.546 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.850 -0.494 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.678 1.025 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.514 1.533 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.642 2.387 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.700 -0.213 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.796 1.069 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.999 -0.600 -4.255 1.00 0.00 H new ATOM 418 N LEU A 27 -7.200 -0.796 -8.547 1.00 0.00 N ATOM 419 CA LEU A 27 -7.751 -2.021 -9.103 1.00 0.00 C ATOM 420 C LEU A 27 -6.810 -2.554 -10.184 1.00 0.00 C ATOM 421 O LEU A 27 -6.416 -3.719 -10.151 1.00 0.00 O ATOM 422 CB LEU A 27 -9.182 -1.791 -9.593 1.00 0.00 C ATOM 423 CG LEU A 27 -10.291 -2.039 -8.567 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.465 -1.085 -8.788 1.00 0.00 C ATOM 425 CD2 LEU A 27 -10.732 -3.504 -8.580 1.00 0.00 C ATOM 0 H LEU A 27 -7.883 -0.055 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.822 -2.790 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.263 -0.763 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.359 -2.437 -10.453 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.891 -1.832 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.239 -1.282 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.121 -0.056 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.873 -1.236 -9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.520 -3.653 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.108 -3.762 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.882 -4.142 -8.337 1.00 0.00 H new ATOM 437 N GLN A 28 -6.474 -1.674 -11.117 1.00 0.00 N ATOM 438 CA GLN A 28 -5.585 -2.042 -12.207 1.00 0.00 C ATOM 439 C GLN A 28 -4.263 -2.582 -11.655 1.00 0.00 C ATOM 440 O GLN A 28 -3.696 -3.525 -12.203 1.00 0.00 O ATOM 441 CB GLN A 28 -5.345 -0.856 -13.142 1.00 0.00 C ATOM 442 CG GLN A 28 -5.130 -1.328 -14.582 1.00 0.00 C ATOM 443 CD GLN A 28 -3.755 -0.902 -15.099 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.017 -0.177 -14.452 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.454 -1.388 -16.300 1.00 0.00 N ATOM 0 H GLN A 28 -6.801 -0.708 -11.141 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.062 -2.831 -12.789 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.197 -0.178 -13.101 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.474 -0.294 -12.806 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.220 -2.413 -14.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.908 -0.915 -15.224 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.118 -1.990 -16.788 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.559 -1.159 -16.733 1.00 0.00 H new ATOM 454 N LEU A 29 -3.811 -1.958 -10.576 1.00 0.00 N ATOM 455 CA LEU A 29 -2.568 -2.364 -9.944 1.00 0.00 C ATOM 456 C LEU A 29 -2.738 -3.760 -9.342 1.00 0.00 C ATOM 457 O LEU A 29 -2.073 -4.706 -9.762 1.00 0.00 O ATOM 458 CB LEU A 29 -2.112 -1.309 -8.933 1.00 0.00 C ATOM 459 CG LEU A 29 -1.085 -1.772 -7.899 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.278 -2.019 -8.550 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.992 -0.781 -6.736 1.00 0.00 C ATOM 0 H LEU A 29 -4.284 -1.175 -10.124 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.769 -2.431 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.691 -0.466 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.990 -0.938 -8.404 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.422 -2.723 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.989 -2.347 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.182 -2.789 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.635 -1.096 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.255 -1.134 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.691 0.196 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.964 -0.698 -6.250 1.00 0.00 H new ATOM 473 N GLU A 30 -3.632 -3.844 -8.367 1.00 0.00 N ATOM 474 CA GLU A 30 -3.897 -5.108 -7.703 1.00 0.00 C ATOM 475 C GLU A 30 -4.114 -6.216 -8.736 1.00 0.00 C ATOM 476 O GLU A 30 -3.650 -7.339 -8.554 1.00 0.00 O ATOM 477 CB GLU A 30 -5.098 -4.992 -6.763 1.00 0.00 C ATOM 478 CG GLU A 30 -4.962 -5.950 -5.578 1.00 0.00 C ATOM 479 CD GLU A 30 -6.098 -6.976 -5.569 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.259 -6.538 -5.711 1.00 0.00 O ATOM 481 OE2 GLU A 30 -5.777 -8.175 -5.420 1.00 0.00 O ATOM 0 H GLU A 30 -4.181 -3.057 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.028 -5.367 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.182 -3.968 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.015 -5.212 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.003 -6.465 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.970 -5.385 -4.646 1.00 0.00 H new ATOM 488 N ALA A 31 -4.822 -5.858 -9.798 1.00 0.00 N ATOM 489 CA ALA A 31 -5.106 -6.807 -10.861 1.00 0.00 C ATOM 490 C ALA A 31 -3.791 -7.341 -11.429 1.00 0.00 C ATOM 491 O ALA A 31 -3.615 -8.551 -11.568 1.00 0.00 O ATOM 492 CB ALA A 31 -5.972 -6.134 -11.928 1.00 0.00 C ATOM 0 H ALA A 31 -5.207 -4.925 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.667 -7.658 -10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.185 -6.846 -12.726 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.908 -5.800 -11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.441 -5.276 -12.340 1.00 0.00 H new ATOM 498 N GLN A 32 -2.898 -6.412 -11.742 1.00 0.00 N ATOM 499 CA GLN A 32 -1.603 -6.774 -12.292 1.00 0.00 C ATOM 500 C GLN A 32 -1.070 -8.035 -11.609 1.00 0.00 C ATOM 501 O GLN A 32 -0.621 -7.982 -10.464 1.00 0.00 O ATOM 502 CB GLN A 32 -0.610 -5.618 -12.162 1.00 0.00 C ATOM 503 CG GLN A 32 -1.100 -4.385 -12.924 1.00 0.00 C ATOM 504 CD GLN A 32 -0.161 -4.048 -14.085 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.498 -4.183 -15.250 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.033 -3.603 -13.702 1.00 0.00 N ATOM 0 H GLN A 32 -3.047 -5.410 -11.625 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.727 -6.985 -13.354 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.473 -5.369 -11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.363 -5.925 -12.547 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.105 -4.565 -13.305 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.164 -3.535 -12.245 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.250 -3.514 -12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.732 -3.351 -14.401 1.00 0.00 H new ATOM 515 N GLU A 33 -1.136 -9.139 -12.339 1.00 0.00 N ATOM 516 CA GLU A 33 -0.665 -10.410 -11.817 1.00 0.00 C ATOM 517 C GLU A 33 0.820 -10.320 -11.458 1.00 0.00 C ATOM 518 O GLU A 33 1.677 -10.718 -12.246 1.00 0.00 O ATOM 519 CB GLU A 33 -0.920 -11.541 -12.817 1.00 0.00 C ATOM 520 CG GLU A 33 -2.326 -12.118 -12.643 1.00 0.00 C ATOM 521 CD GLU A 33 -2.337 -13.625 -12.909 1.00 0.00 C ATOM 522 OE1 GLU A 33 -1.519 -14.320 -12.268 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.162 -14.048 -13.747 1.00 0.00 O ATOM 0 H GLU A 33 -1.509 -9.179 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.224 -10.638 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.800 -11.167 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.180 -12.329 -12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.681 -11.921 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.015 -11.620 -13.325 1.00 0.00 H new ATOM 530 N HIS A 34 1.077 -9.794 -10.270 1.00 0.00 N ATOM 531 CA HIS A 34 2.443 -9.647 -9.797 1.00 0.00 C ATOM 532 C HIS A 34 2.435 -9.142 -8.354 1.00 0.00 C ATOM 533 O HIS A 34 3.241 -9.581 -7.534 1.00 0.00 O ATOM 534 CB HIS A 34 3.248 -8.746 -10.736 1.00 0.00 C ATOM 535 CG HIS A 34 3.205 -7.282 -10.369 1.00 0.00 C ATOM 536 ND1 HIS A 34 4.338 -6.559 -10.035 1.00 0.00 N ATOM 537 CD2 HIS A 34 2.157 -6.413 -10.288 1.00 0.00 C ATOM 538 CE1 HIS A 34 3.975 -5.313 -9.765 1.00 0.00 C ATOM 539 NE2 HIS A 34 2.623 -5.226 -9.922 1.00 0.00 N ATOM 0 H HIS A 34 0.363 -9.464 -9.621 1.00 0.00 H new ATOM 0 HA HIS A 34 2.940 -10.617 -9.803 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.286 -9.079 -10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.870 -8.867 -11.751 1.00 0.00 H new ATOM 0 HD1 HIS A 34 5.290 -6.923 -10.002 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.123 -6.651 -10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.634 -4.509 -9.472 1.00 0.00 H new ATOM 548 N LEU A 35 1.515 -8.227 -8.085 1.00 0.00 N ATOM 549 CA LEU A 35 1.392 -7.657 -6.754 1.00 0.00 C ATOM 550 C LEU A 35 0.310 -8.413 -5.980 1.00 0.00 C ATOM 551 O LEU A 35 0.604 -9.085 -4.993 1.00 0.00 O ATOM 552 CB LEU A 35 1.147 -6.149 -6.838 1.00 0.00 C ATOM 553 CG LEU A 35 2.397 -5.266 -6.824 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.035 -3.801 -7.083 1.00 0.00 C ATOM 555 CD2 LEU A 35 3.178 -5.441 -5.521 1.00 0.00 C ATOM 0 H LEU A 35 0.847 -7.866 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 35 2.324 -7.775 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.590 -5.942 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.510 -5.857 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 35 3.050 -5.586 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.940 -3.194 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.555 -3.712 -8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.352 -3.453 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.061 -4.802 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.545 -5.164 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.485 -6.482 -5.418 1.00 0.00 H new ATOM 567 N GLN A 36 -0.919 -8.278 -6.457 1.00 0.00 N ATOM 568 CA GLN A 36 -2.045 -8.939 -5.821 1.00 0.00 C ATOM 569 C GLN A 36 -2.153 -8.514 -4.355 1.00 0.00 C ATOM 570 O GLN A 36 -2.175 -9.358 -3.460 1.00 0.00 O ATOM 571 CB GLN A 36 -1.929 -10.460 -5.944 1.00 0.00 C ATOM 572 CG GLN A 36 -2.613 -10.962 -7.216 1.00 0.00 C ATOM 573 CD GLN A 36 -2.753 -12.485 -7.200 1.00 0.00 C ATOM 574 OE1 GLN A 36 -1.783 -13.223 -7.147 1.00 0.00 O ATOM 575 NE2 GLN A 36 -4.012 -12.913 -7.248 1.00 0.00 N ATOM 0 H GLN A 36 -1.159 -7.720 -7.277 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.957 -8.634 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.878 -10.748 -5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.381 -10.934 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.598 -10.504 -7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.036 -10.656 -8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.778 -12.241 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.211 -13.913 -7.242 1.00 0.00 H new ATOM 584 N LEU A 37 -2.216 -7.206 -4.155 1.00 0.00 N ATOM 585 CA LEU A 37 -2.321 -6.659 -2.812 1.00 0.00 C ATOM 586 C LEU A 37 -3.761 -6.807 -2.317 1.00 0.00 C ATOM 587 O LEU A 37 -4.679 -6.998 -3.113 1.00 0.00 O ATOM 588 CB LEU A 37 -1.804 -5.220 -2.780 1.00 0.00 C ATOM 589 CG LEU A 37 -0.716 -4.874 -3.798 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.326 -4.310 -5.082 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.322 -3.926 -3.191 1.00 0.00 C ATOM 0 H LEU A 37 -2.196 -6.509 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.688 -7.217 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.648 -4.548 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.417 -5.016 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.195 -5.793 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.531 -4.072 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.994 -5.050 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.888 -3.405 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.084 -3.696 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.167 -3.004 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.789 -4.402 -2.329 1.00 0.00 H new ATOM 603 N ASP A 38 -3.913 -6.712 -1.004 1.00 0.00 N ATOM 604 CA ASP A 38 -5.227 -6.833 -0.392 1.00 0.00 C ATOM 605 C ASP A 38 -5.582 -5.518 0.304 1.00 0.00 C ATOM 606 O ASP A 38 -4.928 -5.126 1.270 1.00 0.00 O ATOM 607 CB ASP A 38 -5.244 -7.945 0.657 1.00 0.00 C ATOM 608 CG ASP A 38 -5.634 -9.327 0.129 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.814 -9.475 -0.257 1.00 0.00 O ATOM 610 OD2 ASP A 38 -4.744 -10.204 0.123 1.00 0.00 O ATOM 0 H ASP A 38 -3.149 -6.553 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.946 -7.068 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.255 -8.012 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.939 -7.666 1.449 1.00 0.00 H new ATOM 615 N PHE A 39 -6.619 -4.874 -0.211 1.00 0.00 N ATOM 616 CA PHE A 39 -7.069 -3.612 0.351 1.00 0.00 C ATOM 617 C PHE A 39 -8.121 -3.840 1.439 1.00 0.00 C ATOM 618 O PHE A 39 -9.165 -4.436 1.183 1.00 0.00 O ATOM 619 CB PHE A 39 -7.701 -2.814 -0.791 1.00 0.00 C ATOM 620 CG PHE A 39 -6.824 -2.718 -2.042 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.590 -2.152 -1.965 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.279 -3.199 -3.230 1.00 0.00 C ATOM 623 CE1 PHE A 39 -4.775 -2.063 -3.125 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.465 -3.110 -4.390 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.230 -2.544 -4.313 1.00 0.00 C ATOM 0 H PHE A 39 -7.160 -5.202 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.228 -3.084 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.651 -3.275 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.924 -1.807 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.229 -1.770 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.259 -3.648 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.795 -1.614 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.826 -3.492 -5.334 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.611 -2.477 -5.195 1.00 0.00 H new ATOM 635 N TRP A 40 -7.808 -3.354 2.630 1.00 0.00 N ATOM 636 CA TRP A 40 -8.713 -3.497 3.759 1.00 0.00 C ATOM 637 C TRP A 40 -10.099 -3.022 3.317 1.00 0.00 C ATOM 638 O TRP A 40 -11.012 -3.829 3.149 1.00 0.00 O ATOM 639 CB TRP A 40 -8.186 -2.746 4.984 1.00 0.00 C ATOM 640 CG TRP A 40 -6.932 -3.365 5.601 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.246 -4.438 5.179 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.234 -2.904 6.778 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.164 -4.700 5.993 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.156 -3.737 6.997 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.505 -1.818 7.628 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.264 -3.572 8.063 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.604 -1.666 8.689 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.514 -2.497 8.924 1.00 0.00 C ATOM 0 H TRP A 40 -6.940 -2.860 2.839 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.784 -4.540 4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.968 -1.716 4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.970 -2.709 5.740 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.508 -5.024 4.310 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.493 -5.460 5.880 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.342 -1.153 7.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.428 -4.238 8.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.767 -0.846 9.373 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.864 -2.314 9.767 1.00 0.00 H new ATOM 659 N LYS A 41 -10.212 -1.713 3.140 1.00 0.00 N ATOM 660 CA LYS A 41 -11.471 -1.122 2.721 1.00 0.00 C ATOM 661 C LYS A 41 -11.519 -1.066 1.193 1.00 0.00 C ATOM 662 O LYS A 41 -10.863 -0.227 0.577 1.00 0.00 O ATOM 663 CB LYS A 41 -11.674 0.238 3.393 1.00 0.00 C ATOM 664 CG LYS A 41 -13.162 0.555 3.551 1.00 0.00 C ATOM 665 CD LYS A 41 -13.377 1.699 4.545 1.00 0.00 C ATOM 666 CE LYS A 41 -14.862 1.872 4.868 1.00 0.00 C ATOM 667 NZ LYS A 41 -15.578 2.465 3.716 1.00 0.00 N ATOM 0 H LYS A 41 -9.453 -1.046 3.279 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.309 -1.740 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.192 0.240 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.194 1.016 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.585 0.825 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.692 -0.334 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.823 1.498 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.981 2.626 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.301 0.906 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.978 2.511 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.518 2.029 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.684 3.489 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.036 2.294 2.845 1.00 0.00 H new ATOM 681 N SER A 42 -12.303 -1.969 0.624 1.00 0.00 N ATOM 682 CA SER A 42 -12.446 -2.034 -0.820 1.00 0.00 C ATOM 683 C SER A 42 -12.465 -0.621 -1.407 1.00 0.00 C ATOM 684 O SER A 42 -13.499 0.046 -1.396 1.00 0.00 O ATOM 685 CB SER A 42 -13.716 -2.790 -1.215 1.00 0.00 C ATOM 686 OG SER A 42 -14.875 -2.256 -0.581 1.00 0.00 O ATOM 0 H SER A 42 -12.847 -2.663 1.138 1.00 0.00 H new ATOM 0 HA SER A 42 -11.592 -2.578 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.842 -2.746 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.609 -3.842 -0.949 1.00 0.00 H new ATOM 0 HG SER A 42 -14.861 -1.278 -0.644 1.00 0.00 H new ATOM 692 N PRO A 43 -11.280 -0.195 -1.920 1.00 0.00 N ATOM 693 CA PRO A 43 -11.150 1.125 -2.511 1.00 0.00 C ATOM 694 C PRO A 43 -11.805 1.175 -3.893 1.00 0.00 C ATOM 695 O PRO A 43 -11.166 1.557 -4.872 1.00 0.00 O ATOM 696 CB PRO A 43 -9.655 1.394 -2.552 1.00 0.00 C ATOM 697 CG PRO A 43 -8.983 0.037 -2.416 1.00 0.00 C ATOM 698 CD PRO A 43 -10.035 -0.958 -1.951 1.00 0.00 C ATOM 0 HA PRO A 43 -11.663 1.895 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.371 1.879 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.356 2.061 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.557 -0.275 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.162 0.087 -1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.107 -1.806 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.792 -1.360 -0.967 1.00 0.00 H new ATOM 706 N THR A 44 -13.069 0.782 -3.928 1.00 0.00 N ATOM 707 CA THR A 44 -13.817 0.776 -5.174 1.00 0.00 C ATOM 708 C THR A 44 -14.324 2.183 -5.498 1.00 0.00 C ATOM 709 O THR A 44 -14.294 2.606 -6.653 1.00 0.00 O ATOM 710 CB THR A 44 -14.937 -0.259 -5.048 1.00 0.00 C ATOM 711 OG1 THR A 44 -14.349 -1.466 -5.525 1.00 0.00 O ATOM 712 CG2 THR A 44 -16.089 0.004 -6.021 1.00 0.00 C ATOM 0 H THR A 44 -13.595 0.465 -3.113 1.00 0.00 H new ATOM 0 HA THR A 44 -13.184 0.491 -6.014 1.00 0.00 H new ATOM 0 HB THR A 44 -15.317 -0.260 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.006 -2.191 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.857 -0.759 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.516 0.987 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.715 -0.029 -7.044 1.00 0.00 H new ATOM 720 N THR A 45 -14.776 2.869 -4.459 1.00 0.00 N ATOM 721 CA THR A 45 -15.288 4.219 -4.618 1.00 0.00 C ATOM 722 C THR A 45 -14.521 5.191 -3.720 1.00 0.00 C ATOM 723 O THR A 45 -13.836 4.770 -2.787 1.00 0.00 O ATOM 724 CB THR A 45 -16.792 4.191 -4.339 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.879 4.139 -2.917 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.449 2.889 -4.799 1.00 0.00 C ATOM 0 H THR A 45 -14.798 2.515 -3.503 1.00 0.00 H new ATOM 0 HA THR A 45 -15.139 4.580 -5.635 1.00 0.00 H new ATOM 0 HB THR A 45 -17.270 5.034 -4.838 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.101 3.663 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.516 2.922 -4.577 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.305 2.768 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.995 2.048 -4.275 1.00 0.00 H new ATOM 734 N PRO A 46 -14.663 6.505 -4.039 1.00 0.00 N ATOM 735 CA PRO A 46 -13.991 7.539 -3.271 1.00 0.00 C ATOM 736 C PRO A 46 -14.681 7.756 -1.923 1.00 0.00 C ATOM 737 O PRO A 46 -15.605 7.026 -1.570 1.00 0.00 O ATOM 738 CB PRO A 46 -14.022 8.771 -4.161 1.00 0.00 C ATOM 739 CG PRO A 46 -15.110 8.515 -5.191 1.00 0.00 C ATOM 740 CD PRO A 46 -15.465 7.038 -5.137 1.00 0.00 C ATOM 0 HA PRO A 46 -12.965 7.275 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.238 9.667 -3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.057 8.929 -4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.987 9.126 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.764 8.788 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.530 6.893 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.230 6.539 -6.077 1.00 0.00 H new ATOM 748 N GLY A 47 -14.206 8.765 -1.207 1.00 0.00 N ATOM 749 CA GLY A 47 -14.766 9.088 0.094 1.00 0.00 C ATOM 750 C GLY A 47 -14.535 7.948 1.088 1.00 0.00 C ATOM 751 O GLY A 47 -15.214 7.864 2.110 1.00 0.00 O ATOM 0 H GLY A 47 -13.440 9.369 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.311 10.003 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.835 9.280 -0.003 1.00 0.00 H new ATOM 755 N GLU A 48 -13.575 7.099 0.753 1.00 0.00 N ATOM 756 CA GLU A 48 -13.246 5.968 1.604 1.00 0.00 C ATOM 757 C GLU A 48 -11.732 5.755 1.642 1.00 0.00 C ATOM 758 O GLU A 48 -11.082 5.702 0.599 1.00 0.00 O ATOM 759 CB GLU A 48 -13.967 4.702 1.136 1.00 0.00 C ATOM 760 CG GLU A 48 -13.158 3.977 0.059 1.00 0.00 C ATOM 761 CD GLU A 48 -13.900 2.735 -0.441 1.00 0.00 C ATOM 762 OE1 GLU A 48 -13.857 1.719 0.285 1.00 0.00 O ATOM 763 OE2 GLU A 48 -14.491 2.831 -1.538 1.00 0.00 O ATOM 0 H GLU A 48 -13.014 7.171 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.587 6.188 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.129 4.037 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.950 4.963 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.969 4.652 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.187 3.688 0.461 1.00 0.00 H new ATOM 770 N THR A 49 -11.213 5.637 2.856 1.00 0.00 N ATOM 771 CA THR A 49 -9.787 5.432 3.043 1.00 0.00 C ATOM 772 C THR A 49 -9.441 3.946 2.914 1.00 0.00 C ATOM 773 O THR A 49 -10.195 3.089 3.371 1.00 0.00 O ATOM 774 CB THR A 49 -9.395 6.030 4.395 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.498 5.721 5.243 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.363 7.560 4.370 1.00 0.00 C ATOM 0 H THR A 49 -11.755 5.680 3.719 1.00 0.00 H new ATOM 0 HA THR A 49 -9.211 5.938 2.268 1.00 0.00 H new ATOM 0 HB THR A 49 -8.417 5.650 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.327 6.071 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.079 7.934 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.637 7.897 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.350 7.940 4.108 1.00 0.00 H new ATOM 784 N ALA A 50 -8.302 3.689 2.289 1.00 0.00 N ATOM 785 CA ALA A 50 -7.847 2.323 2.093 1.00 0.00 C ATOM 786 C ALA A 50 -6.544 2.108 2.866 1.00 0.00 C ATOM 787 O ALA A 50 -5.818 3.061 3.144 1.00 0.00 O ATOM 788 CB ALA A 50 -7.691 2.045 0.598 1.00 0.00 C ATOM 0 H ALA A 50 -7.680 4.404 1.911 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.580 1.616 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.350 1.020 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.651 2.182 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.961 2.734 0.174 1.00 0.00 H new ATOM 794 N HIS A 51 -6.287 0.850 3.191 1.00 0.00 N ATOM 795 CA HIS A 51 -5.084 0.498 3.926 1.00 0.00 C ATOM 796 C HIS A 51 -4.654 -0.924 3.557 1.00 0.00 C ATOM 797 O HIS A 51 -5.219 -1.896 4.055 1.00 0.00 O ATOM 798 CB HIS A 51 -5.292 0.682 5.431 1.00 0.00 C ATOM 799 CG HIS A 51 -6.307 1.743 5.784 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.529 1.448 6.364 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.269 3.098 5.635 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.188 2.582 6.551 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.406 3.604 6.098 1.00 0.00 N ATOM 0 H HIS A 51 -6.891 0.062 2.959 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.273 1.170 3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.609 -0.267 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.338 0.939 5.891 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.865 0.516 6.606 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.452 3.664 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.172 2.680 6.986 1.00 0.00 H new ATOM 812 N VAL A 52 -3.658 -0.999 2.686 1.00 0.00 N ATOM 813 CA VAL A 52 -3.147 -2.285 2.244 1.00 0.00 C ATOM 814 C VAL A 52 -1.709 -2.454 2.739 1.00 0.00 C ATOM 815 O VAL A 52 -0.980 -1.474 2.887 1.00 0.00 O ATOM 816 CB VAL A 52 -3.273 -2.405 0.724 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.127 -1.038 0.052 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.256 -3.402 0.165 1.00 0.00 C ATOM 0 H VAL A 52 -3.192 -0.190 2.275 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.736 -3.097 2.670 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.270 -2.784 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.221 -1.152 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.907 -0.369 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.149 -0.618 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.368 -3.468 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.247 -3.066 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.427 -4.383 0.608 1.00 0.00 H new ATOM 828 N ARG A 53 -1.344 -3.705 2.982 1.00 0.00 N ATOM 829 CA ARG A 53 -0.005 -4.014 3.457 1.00 0.00 C ATOM 830 C ARG A 53 0.926 -4.291 2.276 1.00 0.00 C ATOM 831 O ARG A 53 1.071 -5.435 1.849 1.00 0.00 O ATOM 832 CB ARG A 53 -0.018 -5.232 4.384 1.00 0.00 C ATOM 833 CG ARG A 53 -0.813 -4.942 5.659 1.00 0.00 C ATOM 834 CD ARG A 53 -0.310 -5.797 6.824 1.00 0.00 C ATOM 835 NE ARG A 53 -1.203 -6.960 7.021 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.186 -7.745 8.107 1.00 0.00 C ATOM 837 NH1 ARG A 53 -0.322 -7.496 9.100 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.034 -8.779 8.199 1.00 0.00 N ATOM 0 H ARG A 53 -1.951 -4.515 2.859 1.00 0.00 H new ATOM 0 HA ARG A 53 0.357 -3.150 4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.456 -6.084 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.004 -5.507 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.726 -3.886 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.870 -5.142 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.706 -6.138 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.272 -5.199 7.735 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.874 -7.178 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.323 -6.709 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.309 -8.093 9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.692 -8.968 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.022 -9.377 9.025 1.00 0.00 H new ATOM 852 N VAL A 54 1.535 -3.223 1.780 1.00 0.00 N ATOM 853 CA VAL A 54 2.449 -3.337 0.657 1.00 0.00 C ATOM 854 C VAL A 54 3.862 -3.607 1.180 1.00 0.00 C ATOM 855 O VAL A 54 4.240 -3.116 2.242 1.00 0.00 O ATOM 856 CB VAL A 54 2.364 -2.082 -0.215 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.371 -1.026 0.245 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.567 -2.426 -1.692 1.00 0.00 C ATOM 0 H VAL A 54 1.413 -2.275 2.136 1.00 0.00 H new ATOM 0 HA VAL A 54 2.171 -4.178 0.022 1.00 0.00 H new ATOM 0 HB VAL A 54 1.364 -1.663 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.290 -0.145 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.161 -0.749 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.380 -1.431 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.502 -1.517 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.548 -2.880 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.796 -3.126 -2.012 1.00 0.00 H new ATOM 868 N PRO A 55 4.623 -4.410 0.388 1.00 0.00 N ATOM 869 CA PRO A 55 5.986 -4.752 0.760 1.00 0.00 C ATOM 870 C PRO A 55 6.929 -3.570 0.531 1.00 0.00 C ATOM 871 O PRO A 55 6.858 -2.904 -0.502 1.00 0.00 O ATOM 872 CB PRO A 55 6.333 -5.963 -0.090 1.00 0.00 C ATOM 873 CG PRO A 55 5.331 -5.971 -1.233 1.00 0.00 C ATOM 874 CD PRO A 55 4.210 -5.009 -0.876 1.00 0.00 C ATOM 0 HA PRO A 55 6.088 -4.984 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.354 -5.897 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.267 -6.881 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.811 -5.669 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.937 -6.975 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.078 -4.251 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.258 -5.530 -0.775 1.00 0.00 H new ATOM 882 N PHE A 56 7.794 -3.344 1.510 1.00 0.00 N ATOM 883 CA PHE A 56 8.751 -2.254 1.427 1.00 0.00 C ATOM 884 C PHE A 56 9.490 -2.275 0.088 1.00 0.00 C ATOM 885 O PHE A 56 9.749 -1.225 -0.498 1.00 0.00 O ATOM 886 CB PHE A 56 9.761 -2.459 2.558 1.00 0.00 C ATOM 887 CG PHE A 56 10.475 -1.179 2.995 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.341 -0.561 2.147 1.00 0.00 C ATOM 889 CD2 PHE A 56 10.245 -0.659 4.229 1.00 0.00 C ATOM 890 CE1 PHE A 56 12.004 0.627 2.552 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.908 0.529 4.635 1.00 0.00 C ATOM 892 CZ PHE A 56 11.773 1.147 3.787 1.00 0.00 C ATOM 0 H PHE A 56 7.852 -3.898 2.365 1.00 0.00 H new ATOM 0 HA PHE A 56 8.235 -1.298 1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.246 -2.887 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.506 -3.187 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.524 -0.974 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.557 -1.150 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.692 1.118 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.726 0.941 5.616 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.277 2.051 4.095 1.00 0.00 H new ATOM 902 N VAL A 57 9.810 -3.480 -0.356 1.00 0.00 N ATOM 903 CA VAL A 57 10.515 -3.652 -1.616 1.00 0.00 C ATOM 904 C VAL A 57 9.611 -3.205 -2.766 1.00 0.00 C ATOM 905 O VAL A 57 10.091 -2.915 -3.861 1.00 0.00 O ATOM 906 CB VAL A 57 10.991 -5.099 -1.757 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.883 -6.081 -1.372 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.498 -5.373 -3.174 1.00 0.00 C ATOM 0 H VAL A 57 9.594 -4.348 0.134 1.00 0.00 H new ATOM 0 HA VAL A 57 11.408 -3.027 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 57 11.823 -5.247 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.248 -7.102 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.589 -5.910 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.022 -5.932 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.830 -6.408 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.693 -5.199 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.332 -4.707 -3.397 1.00 0.00 H new ATOM 918 N ASN A 58 8.318 -3.164 -2.479 1.00 0.00 N ATOM 919 CA ASN A 58 7.342 -2.757 -3.476 1.00 0.00 C ATOM 920 C ASN A 58 6.632 -1.489 -3.000 1.00 0.00 C ATOM 921 O ASN A 58 5.624 -1.084 -3.577 1.00 0.00 O ATOM 922 CB ASN A 58 6.285 -3.842 -3.686 1.00 0.00 C ATOM 923 CG ASN A 58 5.549 -3.641 -5.012 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.539 -2.960 -5.094 1.00 0.00 O ATOM 925 ND2 ASN A 58 6.107 -4.268 -6.043 1.00 0.00 N ATOM 0 H ASN A 58 7.923 -3.406 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 58 7.870 -2.582 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.759 -4.824 -3.674 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.571 -3.823 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.690 -4.195 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.952 -4.822 -5.906 1.00 0.00 H new ATOM 932 N VAL A 59 7.183 -0.898 -1.950 1.00 0.00 N ATOM 933 CA VAL A 59 6.613 0.316 -1.389 1.00 0.00 C ATOM 934 C VAL A 59 6.960 1.500 -2.293 1.00 0.00 C ATOM 935 O VAL A 59 6.204 2.468 -2.371 1.00 0.00 O ATOM 936 CB VAL A 59 7.093 0.501 0.051 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.204 1.986 0.405 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.176 -0.230 1.034 1.00 0.00 C ATOM 0 H VAL A 59 8.018 -1.237 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 59 5.526 0.246 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 59 8.087 0.062 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.547 2.090 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.916 2.468 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.228 2.459 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.540 -0.082 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.164 0.165 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.170 -1.295 0.802 1.00 0.00 H new ATOM 948 N GLN A 60 8.103 1.386 -2.953 1.00 0.00 N ATOM 949 CA GLN A 60 8.559 2.436 -3.847 1.00 0.00 C ATOM 950 C GLN A 60 7.712 2.452 -5.122 1.00 0.00 C ATOM 951 O GLN A 60 7.044 3.442 -5.416 1.00 0.00 O ATOM 952 CB GLN A 60 10.043 2.270 -4.177 1.00 0.00 C ATOM 953 CG GLN A 60 10.607 3.538 -4.822 1.00 0.00 C ATOM 954 CD GLN A 60 11.160 4.493 -3.762 1.00 0.00 C ATOM 955 OE1 GLN A 60 10.462 5.337 -3.226 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.450 4.313 -3.491 1.00 0.00 N ATOM 0 H GLN A 60 8.727 0.582 -2.886 1.00 0.00 H new ATOM 0 HA GLN A 60 8.439 3.394 -3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.598 2.043 -3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.177 1.424 -4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.397 3.272 -5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.826 4.038 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.977 3.587 -3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.912 4.901 -2.797 1.00 0.00 H new ATOM 965 N ALA A 61 7.769 1.343 -5.845 1.00 0.00 N ATOM 966 CA ALA A 61 7.015 1.217 -7.081 1.00 0.00 C ATOM 967 C ALA A 61 5.574 1.674 -6.845 1.00 0.00 C ATOM 968 O ALA A 61 4.971 2.306 -7.710 1.00 0.00 O ATOM 969 CB ALA A 61 7.093 -0.227 -7.582 1.00 0.00 C ATOM 0 H ALA A 61 8.325 0.524 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 61 7.440 1.855 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.527 -0.322 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.134 -0.493 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.673 -0.896 -6.831 1.00 0.00 H new ATOM 975 N VAL A 62 5.066 1.337 -5.669 1.00 0.00 N ATOM 976 CA VAL A 62 3.707 1.705 -5.308 1.00 0.00 C ATOM 977 C VAL A 62 3.665 3.192 -4.950 1.00 0.00 C ATOM 978 O VAL A 62 2.717 3.892 -5.304 1.00 0.00 O ATOM 979 CB VAL A 62 3.204 0.804 -4.179 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.786 1.194 -3.758 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.269 -0.670 -4.583 1.00 0.00 C ATOM 0 H VAL A 62 5.571 0.813 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 62 3.033 1.554 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 62 3.860 0.945 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.452 0.538 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.781 2.227 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.113 1.095 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.906 -1.289 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.648 -0.834 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.300 -0.939 -4.812 1.00 0.00 H new ATOM 991 N LYS A 63 4.703 3.630 -4.253 1.00 0.00 N ATOM 992 CA LYS A 63 4.795 5.022 -3.843 1.00 0.00 C ATOM 993 C LYS A 63 4.846 5.912 -5.087 1.00 0.00 C ATOM 994 O LYS A 63 4.374 7.048 -5.059 1.00 0.00 O ATOM 995 CB LYS A 63 5.979 5.223 -2.895 1.00 0.00 C ATOM 996 CG LYS A 63 6.558 6.632 -3.033 1.00 0.00 C ATOM 997 CD LYS A 63 7.490 6.958 -1.863 1.00 0.00 C ATOM 998 CE LYS A 63 6.753 7.744 -0.778 1.00 0.00 C ATOM 999 NZ LYS A 63 7.511 8.962 -0.414 1.00 0.00 N ATOM 0 H LYS A 63 5.487 3.047 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 63 3.910 5.313 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.658 5.057 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.752 4.485 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.105 6.714 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.748 7.360 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.887 6.035 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.341 7.537 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.759 8.019 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.615 7.117 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.996 9.484 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.450 8.693 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.620 9.567 -1.253 1.00 0.00 H new ATOM 1013 N VAL A 64 5.420 5.362 -6.147 1.00 0.00 N ATOM 1014 CA VAL A 64 5.538 6.093 -7.397 1.00 0.00 C ATOM 1015 C VAL A 64 4.181 6.103 -8.106 1.00 0.00 C ATOM 1016 O VAL A 64 3.784 7.117 -8.678 1.00 0.00 O ATOM 1017 CB VAL A 64 6.655 5.491 -8.252 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.463 5.841 -9.729 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.029 5.943 -7.755 1.00 0.00 C ATOM 0 H VAL A 64 5.808 4.419 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 64 5.815 7.130 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 64 6.604 4.406 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.270 5.401 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.507 5.447 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.475 6.924 -9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.805 5.501 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.096 7.030 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.167 5.621 -6.723 1.00 0.00 H new ATOM 1029 N PHE A 65 3.508 4.964 -8.044 1.00 0.00 N ATOM 1030 CA PHE A 65 2.206 4.829 -8.673 1.00 0.00 C ATOM 1031 C PHE A 65 1.228 5.877 -8.138 1.00 0.00 C ATOM 1032 O PHE A 65 0.570 6.570 -8.913 1.00 0.00 O ATOM 1033 CB PHE A 65 1.682 3.435 -8.322 1.00 0.00 C ATOM 1034 CG PHE A 65 0.598 2.920 -9.272 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.762 3.036 -10.618 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.529 2.347 -8.771 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.243 2.559 -11.499 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.534 1.870 -9.653 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.371 1.986 -10.997 1.00 0.00 C ATOM 0 H PHE A 65 3.840 4.126 -7.567 1.00 0.00 H new ATOM 0 HA PHE A 65 2.297 4.971 -9.750 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.516 2.733 -8.324 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.283 3.453 -7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.657 3.491 -11.016 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.659 2.255 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.113 2.651 -12.567 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.429 1.415 -9.255 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.137 1.624 -11.667 1.00 0.00 H new ATOM 1049 N LEU A 66 1.164 5.961 -6.818 1.00 0.00 N ATOM 1050 CA LEU A 66 0.277 6.913 -6.170 1.00 0.00 C ATOM 1051 C LEU A 66 0.564 8.316 -6.707 1.00 0.00 C ATOM 1052 O LEU A 66 -0.350 9.023 -7.129 1.00 0.00 O ATOM 1053 CB LEU A 66 0.391 6.802 -4.648 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.289 5.586 -4.013 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.702 4.786 -3.166 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.521 6.006 -3.209 1.00 0.00 C ATOM 0 H LEU A 66 1.712 5.385 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.763 6.687 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.448 6.782 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.032 7.703 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.634 4.930 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.194 3.928 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.522 4.439 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.097 5.420 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.986 5.124 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.222 6.693 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.234 6.501 -3.868 1.00 0.00 H new ATOM 1068 N GLU A 67 1.838 8.679 -6.674 1.00 0.00 N ATOM 1069 CA GLU A 67 2.257 9.986 -7.152 1.00 0.00 C ATOM 1070 C GLU A 67 2.005 10.106 -8.656 1.00 0.00 C ATOM 1071 O GLU A 67 1.713 11.193 -9.155 1.00 0.00 O ATOM 1072 CB GLU A 67 3.727 10.246 -6.819 1.00 0.00 C ATOM 1073 CG GLU A 67 3.869 10.936 -5.462 1.00 0.00 C ATOM 1074 CD GLU A 67 4.291 12.397 -5.631 1.00 0.00 C ATOM 1075 OE1 GLU A 67 5.336 12.614 -6.281 1.00 0.00 O ATOM 1076 OE2 GLU A 67 3.559 13.263 -5.106 1.00 0.00 O ATOM 0 H GLU A 67 2.594 8.091 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 67 1.664 10.746 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.274 9.303 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.175 10.867 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.922 10.887 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.607 10.408 -4.857 1.00 0.00 H new ATOM 1083 N SER A 68 2.126 8.977 -9.337 1.00 0.00 N ATOM 1084 CA SER A 68 1.916 8.942 -10.774 1.00 0.00 C ATOM 1085 C SER A 68 0.428 9.110 -11.089 1.00 0.00 C ATOM 1086 O SER A 68 0.057 9.923 -11.935 1.00 0.00 O ATOM 1087 CB SER A 68 2.442 7.638 -11.377 1.00 0.00 C ATOM 1088 OG SER A 68 1.443 6.622 -11.407 1.00 0.00 O ATOM 0 H SER A 68 2.367 8.078 -8.920 1.00 0.00 H new ATOM 0 HA SER A 68 2.472 9.767 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.799 7.825 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.296 7.289 -10.797 1.00 0.00 H new ATOM 0 HG SER A 68 1.096 6.477 -10.502 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.384 8.329 -10.391 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.822 8.381 -10.586 1.00 0.00 C ATOM 1096 C GLN A 69 -2.395 9.660 -9.973 1.00 0.00 C ATOM 1097 O GLN A 69 -3.607 9.869 -9.981 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.500 7.141 -9.999 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.150 6.973 -8.519 1.00 0.00 C ATOM 1100 CD GLN A 69 -1.893 5.503 -8.181 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -1.068 4.835 -8.782 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.644 5.038 -7.187 1.00 0.00 N ATOM 0 H GLN A 69 -0.073 7.657 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.023 8.393 -11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.581 7.225 -10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.188 6.255 -10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.266 7.565 -8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.964 7.355 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.316 5.651 -6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.548 4.068 -6.886 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.496 10.485 -9.455 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.896 11.738 -8.839 1.00 0.00 C ATOM 1113 C GLY A 70 -2.919 11.500 -7.726 1.00 0.00 C ATOM 1114 O GLY A 70 -4.004 12.080 -7.742 1.00 0.00 O ATOM 0 H GLY A 70 -0.491 10.309 -9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.020 12.243 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.322 12.399 -9.594 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.538 10.645 -6.789 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.408 10.323 -5.671 1.00 0.00 C ATOM 1120 C ILE A 71 -2.772 10.825 -4.373 1.00 0.00 C ATOM 1121 O ILE A 71 -1.675 11.383 -4.390 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.733 8.828 -5.658 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -5.013 8.552 -4.866 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.548 8.014 -5.133 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.788 7.378 -5.469 1.00 0.00 C ATOM 0 H ILE A 71 -1.638 10.165 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.366 10.833 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.914 8.509 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.763 8.332 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.641 9.443 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.805 6.955 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.682 8.178 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.312 8.329 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.693 7.203 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.058 7.611 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.166 6.483 -5.450 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.487 10.610 -3.278 1.00 0.00 N ATOM 1138 CA ALA A 72 -3.006 11.034 -1.975 1.00 0.00 C ATOM 1139 C ALA A 72 -3.029 9.843 -1.015 1.00 0.00 C ATOM 1140 O ALA A 72 -4.069 9.214 -0.828 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.854 12.204 -1.474 1.00 0.00 C ATOM 0 H ALA A 72 -4.396 10.147 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.976 11.383 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.493 12.522 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.779 13.034 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.895 11.890 -1.392 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.871 9.569 -0.434 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.746 8.464 0.502 1.00 0.00 C ATOM 1149 C TYR A 73 -1.048 8.912 1.788 1.00 0.00 C ATOM 1150 O TYR A 73 -0.846 10.105 2.006 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.878 7.416 -0.198 1.00 0.00 C ATOM 1152 CG TYR A 73 0.276 8.006 -1.011 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.013 8.761 -2.135 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.581 7.782 -0.619 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.099 9.315 -2.901 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.668 8.337 -1.385 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.373 9.077 -2.487 1.00 0.00 C ATOM 1158 OH TYR A 73 3.399 9.601 -3.211 1.00 0.00 O ATOM 0 H TYR A 73 -1.010 10.093 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.728 8.078 0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.471 6.737 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.508 6.821 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.008 8.937 -2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.787 7.191 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.907 9.906 -3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.693 8.169 -1.091 1.00 0.00 H new ATOM 0 HH TYR A 73 3.620 10.492 -2.868 1.00 0.00 H new ATOM 1168 N SER A 74 -0.697 7.929 2.605 1.00 0.00 N ATOM 1169 CA SER A 74 -0.026 8.206 3.864 1.00 0.00 C ATOM 1170 C SER A 74 0.678 6.946 4.370 1.00 0.00 C ATOM 1171 O SER A 74 0.368 5.839 3.934 1.00 0.00 O ATOM 1172 CB SER A 74 -1.014 8.720 4.913 1.00 0.00 C ATOM 1173 OG SER A 74 -0.394 9.609 5.841 1.00 0.00 O ATOM 0 H SER A 74 -0.865 6.940 2.420 1.00 0.00 H new ATOM 0 HA SER A 74 0.717 8.985 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.837 9.232 4.415 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.443 7.875 5.452 1.00 0.00 H new ATOM 0 HG SER A 74 -1.058 9.916 6.493 1.00 0.00 H new ATOM 1179 N ILE A 75 1.614 7.157 5.284 1.00 0.00 N ATOM 1180 CA ILE A 75 2.365 6.051 5.854 1.00 0.00 C ATOM 1181 C ILE A 75 1.774 5.689 7.219 1.00 0.00 C ATOM 1182 O ILE A 75 1.749 6.517 8.128 1.00 0.00 O ATOM 1183 CB ILE A 75 3.858 6.385 5.900 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.385 6.729 4.505 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.654 5.250 6.549 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.908 6.599 4.448 1.00 0.00 C ATOM 0 H ILE A 75 1.869 8.077 5.644 1.00 0.00 H new ATOM 0 HA ILE A 75 2.278 5.166 5.223 1.00 0.00 H new ATOM 0 HB ILE A 75 3.992 7.269 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.932 6.067 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.093 7.746 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.712 5.513 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.300 5.093 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.518 4.335 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.257 6.849 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.359 7.280 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.195 5.575 4.687 1.00 0.00 H new ATOM 1198 N MET A 76 1.314 4.450 7.318 1.00 0.00 N ATOM 1199 CA MET A 76 0.725 3.968 8.556 1.00 0.00 C ATOM 1200 C MET A 76 1.806 3.476 9.521 1.00 0.00 C ATOM 1201 O MET A 76 2.354 4.259 10.296 1.00 0.00 O ATOM 1202 CB MET A 76 -0.245 2.826 8.248 1.00 0.00 C ATOM 1203 CG MET A 76 -1.664 3.354 8.032 1.00 0.00 C ATOM 1204 SD MET A 76 -1.639 4.714 6.875 1.00 0.00 S ATOM 1205 CE MET A 76 -2.226 6.029 7.929 1.00 0.00 C ATOM 0 H MET A 76 1.337 3.766 6.562 1.00 0.00 H new ATOM 0 HA MET A 76 0.191 4.792 9.029 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.087 2.292 7.358 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.241 2.109 9.069 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.304 2.557 7.655 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.088 3.681 8.981 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.930 6.991 7.510 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.313 5.983 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.795 5.918 8.924 1.00 0.00 H new ATOM 1215 N ILE A 77 2.078 2.182 9.444 1.00 0.00 N ATOM 1216 CA ILE A 77 3.082 1.577 10.301 1.00 0.00 C ATOM 1217 C ILE A 77 4.328 1.257 9.473 1.00 0.00 C ATOM 1218 O ILE A 77 4.222 0.798 8.337 1.00 0.00 O ATOM 1219 CB ILE A 77 2.502 0.364 11.033 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.501 -0.194 12.048 1.00 0.00 C ATOM 1221 CG2 ILE A 77 2.037 -0.704 10.041 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.965 0.896 13.016 1.00 0.00 C ATOM 0 H ILE A 77 1.620 1.536 8.801 1.00 0.00 H new ATOM 0 HA ILE A 77 3.387 2.275 11.081 1.00 0.00 H new ATOM 0 HB ILE A 77 1.624 0.690 11.591 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.041 -1.009 12.606 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.361 -0.611 11.525 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.629 -1.555 10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.267 -0.287 9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.883 -1.032 9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.675 0.473 13.727 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.446 1.698 12.457 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.105 1.294 13.555 1.00 0.00 H new ATOM 1234 N GLU A 78 5.481 1.511 10.074 1.00 0.00 N ATOM 1235 CA GLU A 78 6.746 1.256 9.407 1.00 0.00 C ATOM 1236 C GLU A 78 7.264 -0.138 9.766 1.00 0.00 C ATOM 1237 O GLU A 78 6.486 -1.084 9.878 1.00 0.00 O ATOM 1238 CB GLU A 78 7.777 2.331 9.755 1.00 0.00 C ATOM 1239 CG GLU A 78 7.166 3.730 9.653 1.00 0.00 C ATOM 1240 CD GLU A 78 7.098 4.399 11.027 1.00 0.00 C ATOM 1241 OE1 GLU A 78 6.084 4.171 11.721 1.00 0.00 O ATOM 1242 OE2 GLU A 78 8.063 5.125 11.354 1.00 0.00 O ATOM 0 H GLU A 78 5.565 1.891 11.017 1.00 0.00 H new ATOM 0 HA GLU A 78 6.580 1.294 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.152 2.167 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.630 2.253 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.761 4.342 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.165 3.664 9.227 1.00 0.00 H new ATOM 1249 N ASP A 79 8.576 -0.220 9.937 1.00 0.00 N ATOM 1250 CA ASP A 79 9.207 -1.483 10.283 1.00 0.00 C ATOM 1251 C ASP A 79 9.196 -1.656 11.803 1.00 0.00 C ATOM 1252 O ASP A 79 10.227 -1.511 12.456 1.00 0.00 O ATOM 1253 CB ASP A 79 10.664 -1.516 9.814 1.00 0.00 C ATOM 1254 CG ASP A 79 10.878 -2.069 8.404 1.00 0.00 C ATOM 1255 OD1 ASP A 79 10.334 -1.451 7.464 1.00 0.00 O ATOM 1256 OD2 ASP A 79 11.580 -3.097 8.298 1.00 0.00 O ATOM 0 H ASP A 79 9.218 0.567 9.843 1.00 0.00 H new ATOM 0 HA ASP A 79 8.651 -2.283 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.066 -0.504 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.242 -2.118 10.515 1.00 0.00 H new ATOM 1261 N VAL A 80 8.016 -1.964 12.322 1.00 0.00 N ATOM 1262 CA VAL A 80 7.856 -2.158 13.753 1.00 0.00 C ATOM 1263 C VAL A 80 8.058 -3.638 14.088 1.00 0.00 C ATOM 1264 O VAL A 80 7.248 -4.480 13.705 1.00 0.00 O ATOM 1265 CB VAL A 80 6.496 -1.623 14.205 1.00 0.00 C ATOM 1266 CG1 VAL A 80 5.397 -2.666 13.992 1.00 0.00 C ATOM 1267 CG2 VAL A 80 6.543 -1.167 15.665 1.00 0.00 C ATOM 0 H VAL A 80 7.162 -2.084 11.777 1.00 0.00 H new ATOM 0 HA VAL A 80 8.610 -1.594 14.302 1.00 0.00 H new ATOM 0 HB VAL A 80 6.258 -0.755 13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.441 -2.260 14.322 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.337 -2.921 12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.629 -3.562 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.563 -0.791 15.961 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.815 -2.009 16.301 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.284 -0.375 15.775 1.00 0.00 H new ATOM 1277 N GLN A 81 9.142 -3.907 14.799 1.00 0.00 N ATOM 1278 CA GLN A 81 9.461 -5.270 15.191 1.00 0.00 C ATOM 1279 C GLN A 81 8.373 -5.825 16.112 1.00 0.00 C ATOM 1280 O GLN A 81 7.876 -5.118 16.988 1.00 0.00 O ATOM 1281 CB GLN A 81 10.836 -5.342 15.858 1.00 0.00 C ATOM 1282 CG GLN A 81 11.937 -5.575 14.822 1.00 0.00 C ATOM 1283 CD GLN A 81 13.323 -5.430 15.453 1.00 0.00 C ATOM 1284 OE1 GLN A 81 14.149 -4.640 15.025 1.00 0.00 O ATOM 1285 NE2 GLN A 81 13.532 -6.232 16.494 1.00 0.00 N ATOM 0 H GLN A 81 9.811 -3.205 15.114 1.00 0.00 H new ATOM 0 HA GLN A 81 9.498 -5.887 14.293 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.031 -4.416 16.399 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.846 -6.148 16.592 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.832 -6.571 14.392 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.829 -4.862 14.005 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.798 -6.870 16.801 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.426 -6.208 16.985 1.00 0.00 H new TER 1294 GLN A 81