USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 33 LYS NZ :NH3+ -168:sc= -0.0657 (180deg=-0.144) USER MOD Set 1.2: A 39 GLN : amide:sc=-0.00847 K(o=-0.074,f=-0.61) USER MOD Set 2.1: A 2 CYS SG : rot 180:sc= -0.0458 USER MOD Set 2.2: A 4 HIS : no HE2:sc= -0.113 K(o=-0.16,f=-1.6) USER MOD Single : A 1 LEU N :NH3+ -178:sc= 0.138 (180deg=0.0706) USER MOD Single : A 7 SER OG : rot 157:sc= 0.921 USER MOD Single : A 13 MET CE :methyl 143:sc= -0.0834 (180deg=-2.14) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= -0.0905 (180deg=-0.173) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.0433 K(o=-0.043,f=-1.5) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.625 X(o=-0.63,f=-0.64) USER MOD Single : A 47 SER OG : rot -38:sc= 0.179 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= -0.432 (180deg=-0.457) USER MOD Single : A 55 SER OG : rot -129:sc= 1.52 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0811 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.767 K(o=-0.77,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot -1:sc= 0.387 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.148 43.327 0.245 1.00 0.00 N ATOM 2 CA LEU A 1 2.105 43.515 -0.883 1.00 0.00 C ATOM 3 C LEU A 1 1.902 42.439 -1.950 1.00 0.00 C ATOM 4 O LEU A 1 0.888 41.755 -1.938 1.00 0.00 O ATOM 5 CB LEU A 1 3.572 43.558 -0.377 1.00 0.00 C ATOM 6 CG LEU A 1 3.841 44.464 0.833 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.330 44.423 1.157 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.432 45.911 0.585 1.00 0.00 C ATOM 0 H1 LEU A 1 1.280 44.087 0.942 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.174 43.355 -0.118 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.322 42.407 0.699 1.00 0.00 H new ATOM 0 HA LEU A 1 1.900 44.480 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.877 42.543 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.209 43.884 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 1 3.242 44.090 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.533 45.063 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.624 43.399 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.899 44.777 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.644 46.506 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.993 46.308 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.365 45.955 0.365 1.00 0.00 H new ATOM 22 N CYS A 2 2.920 42.141 -2.744 1.00 0.00 N ATOM 23 CA CYS A 2 2.884 41.154 -3.813 1.00 0.00 C ATOM 24 C CYS A 2 4.284 40.538 -3.936 1.00 0.00 C ATOM 25 O CYS A 2 5.312 41.198 -3.766 1.00 0.00 O ATOM 26 CB CYS A 2 2.422 41.775 -5.156 1.00 0.00 C ATOM 27 SG CYS A 2 3.395 43.229 -5.641 1.00 0.00 S ATOM 0 H CYS A 2 3.828 42.597 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 2 2.155 40.381 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.491 41.021 -5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.372 42.058 -5.077 1.00 0.00 H new ATOM 0 HG CYS A 2 2.952 43.690 -6.773 1.00 0.00 H new ATOM 33 N VAL A 3 4.312 39.257 -4.293 1.00 0.00 N ATOM 34 CA VAL A 3 5.532 38.429 -4.309 1.00 0.00 C ATOM 35 C VAL A 3 5.570 37.804 -5.702 1.00 0.00 C ATOM 36 O VAL A 3 4.536 37.495 -6.284 1.00 0.00 O ATOM 37 CB VAL A 3 5.542 37.281 -3.227 1.00 0.00 C ATOM 38 CG1 VAL A 3 6.839 37.287 -2.407 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.438 37.327 -2.157 1.00 0.00 C ATOM 0 H VAL A 3 3.477 38.749 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 3 6.395 39.053 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 3 5.402 36.401 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.809 36.482 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.690 37.140 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.941 38.243 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.557 36.485 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.512 38.260 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.462 37.269 -2.639 1.00 0.00 H new ATOM 49 N HIS A 4 6.762 37.457 -6.189 1.00 0.00 N ATOM 50 CA HIS A 4 6.909 37.130 -7.612 1.00 0.00 C ATOM 51 C HIS A 4 7.667 35.817 -7.607 1.00 0.00 C ATOM 52 O HIS A 4 8.830 35.717 -7.205 1.00 0.00 O ATOM 53 CB HIS A 4 7.722 38.174 -8.426 1.00 0.00 C ATOM 54 CG HIS A 4 7.188 39.578 -8.406 1.00 0.00 C ATOM 55 ND1 HIS A 4 5.859 39.944 -8.163 1.00 0.00 N ATOM 56 CD2 HIS A 4 7.917 40.712 -8.603 1.00 0.00 C ATOM 57 CE1 HIS A 4 5.828 41.276 -8.216 1.00 0.00 C ATOM 58 NE2 HIS A 4 7.048 41.766 -8.485 1.00 0.00 N ATOM 0 H HIS A 4 7.619 37.395 -5.639 1.00 0.00 H new ATOM 0 HA HIS A 4 5.929 37.099 -8.089 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.743 38.188 -8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.773 37.839 -9.462 1.00 0.00 H new ATOM 0 HD1 HIS A 4 5.074 39.319 -7.982 1.00 0.00 H new ATOM 0 HD2 HIS A 4 8.975 40.770 -8.812 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.944 41.877 -8.064 1.00 0.00 H new ATOM 66 N VAL A 5 7.020 34.816 -8.193 1.00 0.00 N ATOM 67 CA VAL A 5 7.434 33.431 -8.023 1.00 0.00 C ATOM 68 C VAL A 5 7.698 32.959 -9.449 1.00 0.00 C ATOM 69 O VAL A 5 6.826 32.542 -10.189 1.00 0.00 O ATOM 70 CB VAL A 5 6.370 32.537 -7.299 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.491 32.725 -5.774 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.903 32.731 -7.718 1.00 0.00 C ATOM 0 H VAL A 5 6.204 34.940 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 5 8.305 33.352 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 5 6.613 31.523 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.751 32.103 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.490 32.434 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.318 33.771 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.268 32.055 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.603 33.761 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.796 32.514 -8.781 1.00 0.00 H new ATOM 82 N ARG A 6 9.004 32.794 -9.749 1.00 0.00 N ATOM 83 CA ARG A 6 9.417 32.489 -11.125 1.00 0.00 C ATOM 84 C ARG A 6 9.462 30.969 -11.126 1.00 0.00 C ATOM 85 O ARG A 6 10.090 30.348 -10.249 1.00 0.00 O ATOM 86 CB ARG A 6 10.827 33.101 -11.452 1.00 0.00 C ATOM 87 CG ARG A 6 12.073 32.390 -10.879 1.00 0.00 C ATOM 88 CD ARG A 6 12.540 31.224 -11.763 1.00 0.00 C ATOM 89 NE ARG A 6 13.065 30.070 -11.003 1.00 0.00 N ATOM 90 CZ ARG A 6 13.651 29.002 -11.510 1.00 0.00 C ATOM 91 NH1 ARG A 6 13.922 28.917 -12.783 1.00 0.00 N ATOM 92 NH2 ARG A 6 14.005 28.009 -10.731 1.00 0.00 N ATOM 0 H ARG A 6 9.767 32.865 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 6 8.749 32.906 -11.879 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.932 33.138 -12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.836 34.131 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.884 33.111 -10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.848 32.017 -9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.705 30.891 -12.380 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.314 31.582 -12.441 1.00 0.00 H new ATOM 0 HE ARG A 6 12.965 30.102 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.680 29.686 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.376 28.082 -13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.828 28.060 -9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.458 27.186 -11.128 1.00 0.00 H new ATOM 106 N SER A 7 8.774 30.387 -12.125 1.00 0.00 N ATOM 107 CA SER A 7 8.739 28.962 -12.482 1.00 0.00 C ATOM 108 C SER A 7 7.582 28.645 -13.449 1.00 0.00 C ATOM 109 O SER A 7 6.980 29.540 -14.014 1.00 0.00 O ATOM 110 CB SER A 7 8.639 28.064 -11.232 1.00 0.00 C ATOM 111 OG SER A 7 9.894 27.452 -10.998 1.00 0.00 O ATOM 0 H SER A 7 8.187 30.942 -12.747 1.00 0.00 H new ATOM 0 HA SER A 7 9.680 28.746 -12.988 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.343 28.657 -10.366 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.871 27.304 -11.376 1.00 0.00 H new ATOM 0 HG SER A 7 9.962 27.196 -10.055 1.00 0.00 H new ATOM 117 N GLU A 8 7.212 27.367 -13.543 1.00 0.00 N ATOM 118 CA GLU A 8 6.087 26.897 -14.340 1.00 0.00 C ATOM 119 C GLU A 8 4.910 26.932 -13.348 1.00 0.00 C ATOM 120 O GLU A 8 4.622 25.997 -12.610 1.00 0.00 O ATOM 121 CB GLU A 8 6.364 25.440 -14.789 1.00 0.00 C ATOM 122 CG GLU A 8 5.231 24.873 -15.670 1.00 0.00 C ATOM 123 CD GLU A 8 5.202 23.330 -15.719 1.00 0.00 C ATOM 124 OE1 GLU A 8 5.238 22.694 -14.649 1.00 0.00 O ATOM 125 OE2 GLU A 8 5.220 22.819 -16.869 1.00 0.00 O ATOM 0 H GLU A 8 7.700 26.616 -13.055 1.00 0.00 H new ATOM 0 HA GLU A 8 5.901 27.488 -15.237 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.303 25.405 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.488 24.808 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.274 25.235 -15.294 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.342 25.259 -16.683 1.00 0.00 H new ATOM 132 N GLU A 9 4.186 28.058 -13.405 1.00 0.00 N ATOM 133 CA GLU A 9 2.988 28.337 -12.619 1.00 0.00 C ATOM 134 C GLU A 9 1.955 29.037 -13.513 1.00 0.00 C ATOM 135 O GLU A 9 2.246 29.460 -14.628 1.00 0.00 O ATOM 136 CB GLU A 9 3.284 29.162 -11.339 1.00 0.00 C ATOM 137 CG GLU A 9 4.230 30.375 -11.442 1.00 0.00 C ATOM 138 CD GLU A 9 3.809 31.421 -12.487 1.00 0.00 C ATOM 139 OE1 GLU A 9 2.682 31.950 -12.340 1.00 0.00 O ATOM 140 OE2 GLU A 9 4.632 31.667 -13.405 1.00 0.00 O ATOM 0 H GLU A 9 4.434 28.828 -14.027 1.00 0.00 H new ATOM 0 HA GLU A 9 2.585 27.388 -12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.331 29.518 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.699 28.481 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.290 30.857 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.232 30.020 -11.684 1.00 0.00 H new ATOM 147 N TRP A 10 0.725 29.131 -13.017 1.00 0.00 N ATOM 148 CA TRP A 10 -0.438 29.670 -13.737 1.00 0.00 C ATOM 149 C TRP A 10 -0.975 30.885 -12.979 1.00 0.00 C ATOM 150 O TRP A 10 -1.692 31.694 -13.568 1.00 0.00 O ATOM 151 CB TRP A 10 -1.564 28.622 -13.838 1.00 0.00 C ATOM 152 CG TRP A 10 -1.213 27.335 -14.506 1.00 0.00 C ATOM 153 CD1 TRP A 10 -0.668 26.266 -13.881 1.00 0.00 C ATOM 154 CD2 TRP A 10 -1.338 26.963 -15.906 1.00 0.00 C ATOM 155 NE1 TRP A 10 -0.437 25.259 -14.804 1.00 0.00 N ATOM 156 CE2 TRP A 10 -0.843 25.630 -16.069 1.00 0.00 C ATOM 157 CE3 TRP A 10 -1.828 27.607 -17.070 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -0.830 24.970 -17.303 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -1.823 26.957 -18.316 1.00 0.00 C ATOM 160 CH2 TRP A 10 -1.334 25.643 -18.438 1.00 0.00 C ATOM 0 H TRP A 10 0.496 28.825 -12.071 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.120 29.946 -14.743 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.915 28.399 -12.830 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.400 29.069 -14.376 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.447 26.207 -12.825 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.019 24.357 -14.577 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.212 28.614 -16.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.442 23.965 -17.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.198 27.471 -19.189 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.344 25.150 -19.399 1.00 0.00 H new ATOM 171 N ASP A 11 -0.595 31.044 -11.711 1.00 0.00 N ATOM 172 CA ASP A 11 -0.996 32.143 -10.853 1.00 0.00 C ATOM 173 C ASP A 11 0.219 32.668 -10.075 1.00 0.00 C ATOM 174 O ASP A 11 1.086 31.910 -9.612 1.00 0.00 O ATOM 175 CB ASP A 11 -2.095 31.672 -9.878 1.00 0.00 C ATOM 176 CG ASP A 11 -2.956 32.837 -9.385 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.982 33.120 -10.039 1.00 0.00 O ATOM 178 OD2 ASP A 11 -2.616 33.399 -8.329 1.00 0.00 O ATOM 0 H ASP A 11 0.024 30.382 -11.242 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.394 32.951 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.729 30.936 -10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.635 31.174 -9.025 1.00 0.00 H new ATOM 183 N LEU A 12 0.185 33.961 -9.769 1.00 0.00 N ATOM 184 CA LEU A 12 1.296 34.663 -9.137 1.00 0.00 C ATOM 185 C LEU A 12 1.048 34.633 -7.634 1.00 0.00 C ATOM 186 O LEU A 12 -0.062 34.493 -7.123 1.00 0.00 O ATOM 187 CB LEU A 12 1.353 36.141 -9.640 1.00 0.00 C ATOM 188 CG LEU A 12 0.021 36.932 -9.585 1.00 0.00 C ATOM 189 CD1 LEU A 12 0.159 38.232 -8.779 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.461 37.283 -10.999 1.00 0.00 C ATOM 0 H LEU A 12 -0.622 34.556 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 12 2.245 34.187 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.095 36.677 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.709 36.139 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.705 36.286 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.797 38.755 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.458 37.997 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.914 38.868 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.397 37.838 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.291 37.894 -11.498 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.619 36.367 -11.567 1.00 0.00 H new ATOM 202 N MET A 13 2.060 35.007 -6.861 1.00 0.00 N ATOM 203 CA MET A 13 1.997 34.828 -5.425 1.00 0.00 C ATOM 204 C MET A 13 1.605 36.227 -4.909 1.00 0.00 C ATOM 205 O MET A 13 1.864 37.267 -5.506 1.00 0.00 O ATOM 206 CB MET A 13 3.404 34.407 -4.898 1.00 0.00 C ATOM 207 CG MET A 13 3.520 34.305 -3.372 1.00 0.00 C ATOM 208 SD MET A 13 2.533 33.051 -2.531 1.00 0.00 S ATOM 209 CE MET A 13 2.882 33.618 -0.852 1.00 0.00 C ATOM 0 H MET A 13 2.922 35.431 -7.204 1.00 0.00 H new ATOM 0 HA MET A 13 1.297 34.057 -5.102 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.664 33.442 -5.333 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.140 35.127 -5.256 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.567 34.125 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.256 35.275 -2.951 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.990 33.502 -0.236 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.694 33.026 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.173 34.668 -0.876 1.00 0.00 H new ATOM 219 N THR A 14 1.061 36.269 -3.704 1.00 0.00 N ATOM 220 CA THR A 14 0.462 37.476 -3.133 1.00 0.00 C ATOM 221 C THR A 14 0.913 37.493 -1.691 1.00 0.00 C ATOM 222 O THR A 14 0.861 36.481 -0.973 1.00 0.00 O ATOM 223 CB THR A 14 -1.096 37.498 -3.254 1.00 0.00 C ATOM 224 OG1 THR A 14 -1.452 38.032 -4.499 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.806 38.367 -2.202 1.00 0.00 C ATOM 0 H THR A 14 1.020 35.460 -3.084 1.00 0.00 H new ATOM 0 HA THR A 14 0.784 38.366 -3.675 1.00 0.00 H new ATOM 0 HB THR A 14 -1.408 36.463 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.428 38.047 -4.581 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.883 38.324 -2.361 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.571 37.995 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.467 39.399 -2.294 1.00 0.00 H new ATOM 233 N PHE A 15 1.268 38.682 -1.199 1.00 0.00 N ATOM 234 CA PHE A 15 1.865 38.820 0.120 1.00 0.00 C ATOM 235 C PHE A 15 0.692 39.370 0.926 1.00 0.00 C ATOM 236 O PHE A 15 0.354 40.555 0.909 1.00 0.00 O ATOM 237 CB PHE A 15 3.037 39.841 0.174 1.00 0.00 C ATOM 238 CG PHE A 15 4.065 39.626 1.283 1.00 0.00 C ATOM 239 CD1 PHE A 15 4.760 38.398 1.374 1.00 0.00 C ATOM 240 CD2 PHE A 15 4.355 40.640 2.216 1.00 0.00 C ATOM 241 CE1 PHE A 15 5.727 38.203 2.377 1.00 0.00 C ATOM 242 CE2 PHE A 15 5.322 40.444 3.219 1.00 0.00 C ATOM 243 CZ PHE A 15 6.009 39.216 3.299 1.00 0.00 C ATOM 0 H PHE A 15 1.150 39.562 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 15 2.298 37.883 0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.556 39.818 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.616 40.840 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.548 37.606 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.828 41.581 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.256 37.263 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.537 41.232 3.925 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.750 39.058 4.069 1.00 0.00 H new ATOM 253 N ASP A 16 0.155 38.451 1.731 1.00 0.00 N ATOM 254 CA ASP A 16 -1.007 38.690 2.580 1.00 0.00 C ATOM 255 C ASP A 16 -0.970 37.682 3.720 1.00 0.00 C ATOM 256 O ASP A 16 -0.318 36.626 3.661 1.00 0.00 O ATOM 257 CB ASP A 16 -2.363 38.539 1.810 1.00 0.00 C ATOM 258 CG ASP A 16 -3.125 39.864 1.735 1.00 0.00 C ATOM 259 OD1 ASP A 16 -3.181 40.536 2.785 1.00 0.00 O ATOM 260 OD2 ASP A 16 -3.656 40.164 0.647 1.00 0.00 O ATOM 0 H ASP A 16 0.524 37.504 1.810 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.957 39.717 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.169 38.174 0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.982 37.792 2.307 1.00 0.00 H new ATOM 265 N ALA A 17 -1.787 37.945 4.733 1.00 0.00 N ATOM 266 CA ALA A 17 -1.823 37.191 5.974 1.00 0.00 C ATOM 267 C ALA A 17 -3.153 37.486 6.667 1.00 0.00 C ATOM 268 O ALA A 17 -3.848 38.458 6.397 1.00 0.00 O ATOM 269 CB ALA A 17 -0.667 37.588 6.913 1.00 0.00 C ATOM 0 H ALA A 17 -2.460 38.711 4.710 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.719 36.130 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.727 37.003 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.285 37.393 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.741 38.649 7.153 1.00 0.00 H new ATOM 275 N ASN A 18 -3.530 36.583 7.569 1.00 0.00 N ATOM 276 CA ASN A 18 -4.855 36.539 8.172 1.00 0.00 C ATOM 277 C ASN A 18 -4.673 36.731 9.693 1.00 0.00 C ATOM 278 O ASN A 18 -3.592 36.434 10.202 1.00 0.00 O ATOM 279 CB ASN A 18 -5.532 35.179 7.864 1.00 0.00 C ATOM 280 CG ASN A 18 -5.478 34.758 6.410 1.00 0.00 C ATOM 281 OD1 ASN A 18 -5.009 33.679 6.071 1.00 0.00 O ATOM 282 ND2 ASN A 18 -5.931 35.589 5.486 1.00 0.00 N ATOM 0 H ASN A 18 -2.909 35.848 7.906 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.496 37.323 7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.057 34.407 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.576 35.230 8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.888 35.329 4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.323 36.490 5.759 1.00 0.00 H new ATOM 289 N PRO A 19 -5.685 37.262 10.405 1.00 0.00 N ATOM 290 CA PRO A 19 -5.627 37.449 11.863 1.00 0.00 C ATOM 291 C PRO A 19 -5.740 36.094 12.566 1.00 0.00 C ATOM 292 O PRO A 19 -6.823 35.657 12.950 1.00 0.00 O ATOM 293 CB PRO A 19 -6.772 38.424 12.173 1.00 0.00 C ATOM 294 CG PRO A 19 -7.806 38.107 11.088 1.00 0.00 C ATOM 295 CD PRO A 19 -6.936 37.791 9.876 1.00 0.00 C ATOM 0 HA PRO A 19 -4.686 37.863 12.225 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.176 38.265 13.173 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.442 39.462 12.124 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.437 37.262 11.365 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.469 38.952 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.423 37.064 9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.760 38.686 9.279 1.00 0.00 H new ATOM 303 N TYR A 20 -4.605 35.390 12.625 1.00 0.00 N ATOM 304 CA TYR A 20 -4.474 34.136 13.354 1.00 0.00 C ATOM 305 C TYR A 20 -3.331 34.190 14.382 1.00 0.00 C ATOM 306 O TYR A 20 -3.583 34.640 15.486 1.00 0.00 O ATOM 307 CB TYR A 20 -4.285 32.990 12.323 1.00 0.00 C ATOM 308 CG TYR A 20 -5.507 32.131 12.078 1.00 0.00 C ATOM 309 CD1 TYR A 20 -6.071 31.424 13.148 1.00 0.00 C ATOM 310 CD2 TYR A 20 -6.035 31.986 10.776 1.00 0.00 C ATOM 311 CE1 TYR A 20 -7.186 30.590 12.944 1.00 0.00 C ATOM 312 CE2 TYR A 20 -7.149 31.142 10.561 1.00 0.00 C ATOM 313 CZ TYR A 20 -7.726 30.454 11.651 1.00 0.00 C ATOM 314 OH TYR A 20 -8.803 29.632 11.451 1.00 0.00 O ATOM 0 H TYR A 20 -3.745 35.683 12.161 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.379 33.951 13.933 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.971 33.425 11.374 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.472 32.348 12.663 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.647 31.520 14.137 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.590 32.518 9.948 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.625 30.057 13.775 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.557 31.024 9.568 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.056 29.649 10.504 1.00 0.00 H new ATOM 324 N ASP A 21 -2.118 33.700 14.063 1.00 0.00 N ATOM 325 CA ASP A 21 -0.933 33.941 14.879 1.00 0.00 C ATOM 326 C ASP A 21 0.371 34.039 14.054 1.00 0.00 C ATOM 327 O ASP A 21 0.388 33.568 12.896 1.00 0.00 O ATOM 328 CB ASP A 21 -0.994 32.751 15.883 1.00 0.00 C ATOM 329 CG ASP A 21 -0.999 33.256 17.315 1.00 0.00 C ATOM 330 OD1 ASP A 21 0.088 33.764 17.667 1.00 0.00 O ATOM 331 OD2 ASP A 21 -2.055 33.145 17.973 1.00 0.00 O ATOM 0 H ASP A 21 -1.942 33.130 13.235 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.924 34.909 15.381 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.890 32.158 15.698 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.139 32.093 15.727 1.00 0.00 H new ATOM 336 N SER A 22 1.497 33.900 14.743 1.00 0.00 N ATOM 337 CA SER A 22 2.853 33.884 14.161 1.00 0.00 C ATOM 338 C SER A 22 3.339 32.438 14.145 1.00 0.00 C ATOM 339 O SER A 22 3.885 31.970 13.129 1.00 0.00 O ATOM 340 CB SER A 22 3.859 34.738 14.958 1.00 0.00 C ATOM 341 OG SER A 22 3.831 34.402 16.322 1.00 0.00 O ATOM 0 H SER A 22 1.502 33.791 15.757 1.00 0.00 H new ATOM 0 HA SER A 22 2.795 34.310 13.159 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.864 34.587 14.563 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.623 35.795 14.835 1.00 0.00 H new ATOM 0 HG SER A 22 4.478 34.955 16.808 1.00 0.00 H new ATOM 347 N VAL A 23 2.956 31.652 15.150 1.00 0.00 N ATOM 348 CA VAL A 23 3.275 30.223 15.279 1.00 0.00 C ATOM 349 C VAL A 23 2.414 29.421 14.316 1.00 0.00 C ATOM 350 O VAL A 23 2.864 28.364 13.856 1.00 0.00 O ATOM 351 CB VAL A 23 3.071 29.676 16.700 1.00 0.00 C ATOM 352 CG1 VAL A 23 4.182 30.181 17.627 1.00 0.00 C ATOM 353 CG2 VAL A 23 1.683 29.960 17.267 1.00 0.00 C ATOM 0 H VAL A 23 2.395 32.001 15.927 1.00 0.00 H new ATOM 0 HA VAL A 23 4.334 30.120 15.043 1.00 0.00 H new ATOM 0 HB VAL A 23 3.136 28.590 16.636 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.026 29.786 18.631 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.149 29.846 17.252 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.162 31.270 17.658 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.609 29.546 18.273 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.519 31.037 17.305 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.928 29.500 16.629 1.00 0.00 H new ATOM 363 N LEU A 24 1.264 29.943 13.888 1.00 0.00 N ATOM 364 CA LEU A 24 0.352 29.298 12.946 1.00 0.00 C ATOM 365 C LEU A 24 1.079 29.068 11.613 1.00 0.00 C ATOM 366 O LEU A 24 0.792 28.109 10.923 1.00 0.00 O ATOM 367 CB LEU A 24 -0.907 30.149 12.738 1.00 0.00 C ATOM 368 CG LEU A 24 -2.010 29.380 11.964 1.00 0.00 C ATOM 369 CD1 LEU A 24 -3.244 29.194 12.844 1.00 0.00 C ATOM 370 CD2 LEU A 24 -2.367 30.085 10.654 1.00 0.00 C ATOM 0 H LEU A 24 0.932 30.856 14.198 1.00 0.00 H new ATOM 0 HA LEU A 24 0.038 28.337 13.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.296 30.463 13.707 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.645 31.055 12.191 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.620 28.395 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.009 28.653 12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.974 28.627 13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.631 30.169 13.139 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.142 29.520 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.732 31.089 10.869 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.481 30.148 10.022 1.00 0.00 H new ATOM 382 N LYS A 25 2.090 29.880 11.263 1.00 0.00 N ATOM 383 CA LYS A 25 2.814 29.779 9.993 1.00 0.00 C ATOM 384 C LYS A 25 3.730 28.555 9.986 1.00 0.00 C ATOM 385 O LYS A 25 3.682 27.765 9.033 1.00 0.00 O ATOM 386 CB LYS A 25 3.609 31.068 9.758 1.00 0.00 C ATOM 387 CG LYS A 25 3.877 31.270 8.262 1.00 0.00 C ATOM 388 CD LYS A 25 5.314 31.005 7.801 1.00 0.00 C ATOM 389 CE LYS A 25 5.743 29.533 7.859 1.00 0.00 C ATOM 390 NZ LYS A 25 7.022 29.327 7.143 1.00 0.00 N ATOM 0 H LYS A 25 2.428 30.632 11.863 1.00 0.00 H new ATOM 0 HA LYS A 25 2.099 29.654 9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.056 31.920 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.554 31.023 10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.209 30.617 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.614 32.295 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.425 31.362 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.994 31.592 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.849 29.222 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.969 28.907 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.232 28.310 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.947 29.713 6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.787 29.814 7.652 1.00 0.00 H new ATOM 404 N ILE A 26 4.563 28.382 11.007 1.00 0.00 N ATOM 405 CA ILE A 26 5.494 27.235 11.123 1.00 0.00 C ATOM 406 C ILE A 26 4.639 25.984 11.334 1.00 0.00 C ATOM 407 O ILE A 26 4.886 24.992 10.655 1.00 0.00 O ATOM 408 CB ILE A 26 6.562 27.434 12.228 1.00 0.00 C ATOM 409 CG1 ILE A 26 7.415 26.169 12.475 1.00 0.00 C ATOM 410 CG2 ILE A 26 6.011 28.023 13.539 1.00 0.00 C ATOM 411 CD1 ILE A 26 6.900 25.145 13.510 1.00 0.00 C ATOM 0 H ILE A 26 4.621 29.032 11.791 1.00 0.00 H new ATOM 0 HA ILE A 26 6.082 27.135 10.211 1.00 0.00 H new ATOM 0 HB ILE A 26 7.230 28.195 11.825 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.532 25.653 11.522 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.409 26.491 12.787 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.822 28.130 14.259 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.569 29.000 13.342 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.251 27.357 13.946 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.600 24.312 13.577 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.813 25.625 14.485 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.923 24.774 13.200 1.00 0.00 H new ATOM 423 N LYS A 27 3.561 26.059 12.126 1.00 0.00 N ATOM 424 CA LYS A 27 2.667 24.914 12.377 1.00 0.00 C ATOM 425 C LYS A 27 1.862 24.553 11.132 1.00 0.00 C ATOM 426 O LYS A 27 1.610 23.363 10.921 1.00 0.00 O ATOM 427 CB LYS A 27 1.693 25.185 13.547 1.00 0.00 C ATOM 428 CG LYS A 27 2.043 24.361 14.792 1.00 0.00 C ATOM 429 CD LYS A 27 3.225 24.944 15.568 1.00 0.00 C ATOM 430 CE LYS A 27 3.799 23.869 16.507 1.00 0.00 C ATOM 431 NZ LYS A 27 5.053 24.329 17.135 1.00 0.00 N ATOM 0 H LYS A 27 3.282 26.912 12.611 1.00 0.00 H new ATOM 0 HA LYS A 27 3.312 24.077 12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.714 26.246 13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.676 24.952 13.233 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.173 24.310 15.446 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.277 23.339 14.493 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.995 25.287 14.877 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.904 25.812 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.068 23.628 17.279 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.984 22.953 15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.420 23.586 17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.756 24.536 16.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.869 25.190 17.688 1.00 0.00 H new ATOM 445 N GLU A 28 1.593 25.493 10.229 1.00 0.00 N ATOM 446 CA GLU A 28 0.843 25.255 8.983 1.00 0.00 C ATOM 447 C GLU A 28 1.742 24.504 8.002 1.00 0.00 C ATOM 448 O GLU A 28 1.253 23.676 7.257 1.00 0.00 O ATOM 449 CB GLU A 28 0.390 26.570 8.325 1.00 0.00 C ATOM 450 CG GLU A 28 -1.030 27.007 8.732 1.00 0.00 C ATOM 451 CD GLU A 28 -2.060 26.569 7.674 1.00 0.00 C ATOM 452 OE1 GLU A 28 -2.429 25.377 7.723 1.00 0.00 O ATOM 453 OE2 GLU A 28 -2.353 27.388 6.765 1.00 0.00 O ATOM 0 H GLU A 28 1.893 26.462 10.338 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.046 24.674 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.094 27.360 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.430 26.457 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.287 26.572 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.062 28.090 8.851 1.00 0.00 H new ATOM 460 N HIS A 29 3.066 24.682 8.056 1.00 0.00 N ATOM 461 CA HIS A 29 4.057 23.972 7.237 1.00 0.00 C ATOM 462 C HIS A 29 4.234 22.507 7.703 1.00 0.00 C ATOM 463 O HIS A 29 4.808 21.704 6.981 1.00 0.00 O ATOM 464 CB HIS A 29 5.372 24.743 7.187 1.00 0.00 C ATOM 465 CG HIS A 29 6.418 24.118 6.285 1.00 0.00 C ATOM 466 ND1 HIS A 29 7.434 23.269 6.711 1.00 0.00 N ATOM 467 CD2 HIS A 29 6.476 24.225 4.927 1.00 0.00 C ATOM 468 CE1 HIS A 29 8.046 22.837 5.612 1.00 0.00 C ATOM 469 NE2 HIS A 29 7.512 23.407 4.521 1.00 0.00 N ATOM 0 H HIS A 29 3.495 25.351 8.696 1.00 0.00 H new ATOM 0 HA HIS A 29 3.683 23.920 6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.173 25.759 6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.776 24.819 8.197 1.00 0.00 H new ATOM 0 HD1 HIS A 29 7.664 23.026 7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.840 24.828 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.859 22.127 5.599 1.00 0.00 H new ATOM 477 N VAL A 30 3.751 22.152 8.902 1.00 0.00 N ATOM 478 CA VAL A 30 3.810 20.798 9.490 1.00 0.00 C ATOM 479 C VAL A 30 2.426 20.136 9.466 1.00 0.00 C ATOM 480 O VAL A 30 2.320 18.923 9.309 1.00 0.00 O ATOM 481 CB VAL A 30 4.425 20.815 10.888 1.00 0.00 C ATOM 482 CG1 VAL A 30 4.787 19.410 11.383 1.00 0.00 C ATOM 483 CG2 VAL A 30 5.728 21.633 10.938 1.00 0.00 C ATOM 0 H VAL A 30 3.290 22.823 9.516 1.00 0.00 H new ATOM 0 HA VAL A 30 4.472 20.189 8.874 1.00 0.00 H new ATOM 0 HB VAL A 30 3.658 21.262 11.520 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.220 19.476 12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.889 18.794 11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.510 18.960 10.703 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.129 21.617 11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.456 21.200 10.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.523 22.663 10.646 1.00 0.00 H new ATOM 493 N ARG A 31 1.342 20.922 9.455 1.00 0.00 N ATOM 494 CA ARG A 31 -0.022 20.435 9.659 1.00 0.00 C ATOM 495 C ARG A 31 -0.541 20.072 8.271 1.00 0.00 C ATOM 496 O ARG A 31 -0.912 20.885 7.445 1.00 0.00 O ATOM 497 CB ARG A 31 -0.903 21.557 10.270 1.00 0.00 C ATOM 498 CG ARG A 31 -2.382 21.106 10.394 1.00 0.00 C ATOM 499 CD ARG A 31 -3.037 21.551 11.711 1.00 0.00 C ATOM 500 NE ARG A 31 -3.961 20.509 12.213 1.00 0.00 N ATOM 501 CZ ARG A 31 -3.606 19.351 12.765 1.00 0.00 C ATOM 502 NH1 ARG A 31 -2.355 19.002 12.897 1.00 0.00 N ATOM 503 NH2 ARG A 31 -4.520 18.513 13.164 1.00 0.00 N ATOM 0 H ARG A 31 1.392 21.929 9.301 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.048 19.585 10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.520 21.829 11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.843 22.449 9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.951 21.511 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.432 20.020 10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.267 21.752 12.456 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.581 22.483 11.556 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.960 20.695 12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.615 19.624 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.118 18.107 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.507 18.744 13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.248 17.625 13.587 1.00 0.00 H new ATOM 517 N SER A 32 -0.431 18.762 8.011 1.00 0.00 N ATOM 518 CA SER A 32 -0.725 18.118 6.727 1.00 0.00 C ATOM 519 C SER A 32 0.110 18.641 5.547 1.00 0.00 C ATOM 520 O SER A 32 -0.184 18.334 4.404 1.00 0.00 O ATOM 521 CB SER A 32 -2.232 18.177 6.471 1.00 0.00 C ATOM 522 OG SER A 32 -2.704 16.963 5.947 1.00 0.00 O ATOM 0 H SER A 32 -0.122 18.096 8.720 1.00 0.00 H new ATOM 0 HA SER A 32 -0.417 17.075 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.753 18.402 7.401 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.455 18.987 5.777 1.00 0.00 H new ATOM 0 HG SER A 32 -3.670 17.026 5.794 1.00 0.00 H new ATOM 528 N LYS A 33 1.205 19.383 5.807 1.00 0.00 N ATOM 529 CA LYS A 33 2.043 20.092 4.814 1.00 0.00 C ATOM 530 C LYS A 33 3.409 19.456 4.647 1.00 0.00 C ATOM 531 O LYS A 33 3.878 19.338 3.523 1.00 0.00 O ATOM 532 CB LYS A 33 2.204 21.563 5.195 1.00 0.00 C ATOM 533 CG LYS A 33 1.328 22.549 4.406 1.00 0.00 C ATOM 534 CD LYS A 33 1.689 22.705 2.918 1.00 0.00 C ATOM 535 CE LYS A 33 3.166 23.096 2.742 1.00 0.00 C ATOM 536 NZ LYS A 33 3.469 23.447 1.334 1.00 0.00 N ATOM 0 H LYS A 33 1.547 19.512 6.759 1.00 0.00 H new ATOM 0 HA LYS A 33 1.524 20.016 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.979 21.672 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.249 21.843 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.290 22.225 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.391 23.527 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.493 21.770 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.052 23.465 2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.399 23.943 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.803 22.270 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.499 23.507 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.083 22.716 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.037 24.365 1.104 1.00 0.00 H new ATOM 550 N THR A 34 4.034 19.050 5.751 1.00 0.00 N ATOM 551 CA THR A 34 5.308 18.325 5.743 1.00 0.00 C ATOM 552 C THR A 34 5.012 16.832 5.518 1.00 0.00 C ATOM 553 O THR A 34 5.844 16.107 4.995 1.00 0.00 O ATOM 554 CB THR A 34 6.148 18.557 7.007 1.00 0.00 C ATOM 555 OG1 THR A 34 7.486 18.232 6.756 1.00 0.00 O ATOM 556 CG2 THR A 34 5.696 17.732 8.225 1.00 0.00 C ATOM 0 H THR A 34 3.667 19.216 6.688 1.00 0.00 H new ATOM 0 HA THR A 34 5.921 18.712 4.929 1.00 0.00 H new ATOM 0 HB THR A 34 6.016 19.612 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.017 18.384 7.566 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.341 17.955 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.666 17.986 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.760 16.670 7.989 1.00 0.00 H new ATOM 564 N LYS A 35 3.799 16.380 5.899 1.00 0.00 N ATOM 565 CA LYS A 35 3.394 14.979 5.808 1.00 0.00 C ATOM 566 C LYS A 35 2.988 14.663 4.372 1.00 0.00 C ATOM 567 O LYS A 35 3.361 13.613 3.874 1.00 0.00 O ATOM 568 CB LYS A 35 2.165 14.683 6.685 1.00 0.00 C ATOM 569 CG LYS A 35 2.547 14.147 8.073 1.00 0.00 C ATOM 570 CD LYS A 35 2.742 15.263 9.110 1.00 0.00 C ATOM 571 CE LYS A 35 3.964 14.994 10.005 1.00 0.00 C ATOM 572 NZ LYS A 35 3.734 13.887 10.955 1.00 0.00 N ATOM 0 H LYS A 35 3.075 16.989 6.280 1.00 0.00 H new ATOM 0 HA LYS A 35 4.241 14.378 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.577 15.594 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.530 13.955 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.770 13.466 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.467 13.567 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.867 16.218 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.848 15.347 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.825 14.759 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.211 15.899 10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.585 13.745 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.930 14.120 11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.524 13.015 10.428 1.00 0.00 H new ATOM 586 N VAL A 36 2.389 15.621 3.649 1.00 0.00 N ATOM 587 CA VAL A 36 1.933 15.351 2.289 1.00 0.00 C ATOM 588 C VAL A 36 3.192 15.458 1.410 1.00 0.00 C ATOM 589 O VAL A 36 3.931 16.446 1.481 1.00 0.00 O ATOM 590 CB VAL A 36 0.840 16.357 1.851 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.280 17.835 1.757 1.00 0.00 C ATOM 592 CG2 VAL A 36 0.250 15.950 0.495 1.00 0.00 C ATOM 0 H VAL A 36 2.214 16.570 3.980 1.00 0.00 H new ATOM 0 HA VAL A 36 1.471 14.367 2.204 1.00 0.00 H new ATOM 0 HB VAL A 36 0.105 16.306 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.435 18.447 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.629 18.173 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.087 17.929 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.517 16.667 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.040 15.936 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.193 14.957 0.574 1.00 0.00 H new ATOM 602 N PRO A 37 3.513 14.402 0.626 1.00 0.00 N ATOM 603 CA PRO A 37 4.678 14.374 -0.257 1.00 0.00 C ATOM 604 C PRO A 37 4.544 15.348 -1.427 1.00 0.00 C ATOM 605 O PRO A 37 5.536 15.686 -2.064 1.00 0.00 O ATOM 606 CB PRO A 37 4.816 12.931 -0.729 1.00 0.00 C ATOM 607 CG PRO A 37 3.403 12.364 -0.612 1.00 0.00 C ATOM 608 CD PRO A 37 2.807 13.126 0.559 1.00 0.00 C ATOM 0 HA PRO A 37 5.572 14.701 0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.182 12.880 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.521 12.375 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.831 12.522 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.416 11.290 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.738 13.281 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.927 12.567 1.487 1.00 0.00 H new ATOM 616 N VAL A 38 3.357 15.943 -1.625 1.00 0.00 N ATOM 617 CA VAL A 38 2.957 16.683 -2.828 1.00 0.00 C ATOM 618 C VAL A 38 1.616 17.378 -2.536 1.00 0.00 C ATOM 619 O VAL A 38 0.561 16.742 -2.537 1.00 0.00 O ATOM 620 CB VAL A 38 2.754 15.752 -4.072 1.00 0.00 C ATOM 621 CG1 VAL A 38 3.989 15.789 -4.986 1.00 0.00 C ATOM 622 CG2 VAL A 38 2.418 14.276 -3.807 1.00 0.00 C ATOM 0 H VAL A 38 2.620 15.919 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 38 3.753 17.389 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 38 1.864 16.178 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.827 15.136 -5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.154 16.809 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.863 15.449 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.305 13.752 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.223 13.817 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.487 14.210 -3.244 1.00 0.00 H new ATOM 632 N GLN A 39 1.676 18.697 -2.280 1.00 0.00 N ATOM 633 CA GLN A 39 0.475 19.467 -1.911 1.00 0.00 C ATOM 634 C GLN A 39 -0.198 19.964 -3.188 1.00 0.00 C ATOM 635 O GLN A 39 -1.200 19.380 -3.545 1.00 0.00 O ATOM 636 CB GLN A 39 0.858 20.665 -0.984 1.00 0.00 C ATOM 637 CG GLN A 39 -0.344 21.544 -0.562 1.00 0.00 C ATOM 638 CD GLN A 39 -0.297 22.963 -1.138 1.00 0.00 C ATOM 639 OE1 GLN A 39 -1.107 23.402 -1.917 1.00 0.00 O ATOM 640 NE2 GLN A 39 0.648 23.783 -0.720 1.00 0.00 N ATOM 0 H GLN A 39 2.534 19.247 -2.321 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.217 18.830 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.343 20.277 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.589 21.289 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.267 21.061 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.376 21.603 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.354 23.454 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.673 24.746 -1.056 1.00 0.00 H new ATOM 649 N ASP A 40 0.398 20.924 -3.896 1.00 0.00 N ATOM 650 CA ASP A 40 -0.018 21.427 -5.228 1.00 0.00 C ATOM 651 C ASP A 40 0.988 22.511 -5.660 1.00 0.00 C ATOM 652 O ASP A 40 1.558 22.487 -6.741 1.00 0.00 O ATOM 653 CB ASP A 40 -1.406 22.094 -5.152 1.00 0.00 C ATOM 654 CG ASP A 40 -2.504 21.294 -5.866 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.524 21.354 -7.113 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.416 20.808 -5.145 1.00 0.00 O ATOM 0 H ASP A 40 1.228 21.404 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.053 20.591 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.682 22.223 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.347 23.090 -5.592 1.00 0.00 H new ATOM 661 N GLN A 41 1.364 23.399 -4.723 1.00 0.00 N ATOM 662 CA GLN A 41 2.189 24.570 -4.999 1.00 0.00 C ATOM 663 C GLN A 41 3.016 24.842 -3.734 1.00 0.00 C ATOM 664 O GLN A 41 2.558 25.384 -2.728 1.00 0.00 O ATOM 665 CB GLN A 41 1.306 25.777 -5.421 1.00 0.00 C ATOM 666 CG GLN A 41 2.038 26.740 -6.386 1.00 0.00 C ATOM 667 CD GLN A 41 1.592 28.197 -6.266 1.00 0.00 C ATOM 668 OE1 GLN A 41 1.678 28.796 -5.194 1.00 0.00 O ATOM 669 NE2 GLN A 41 1.157 28.802 -7.356 1.00 0.00 N ATOM 0 H GLN A 41 1.096 23.315 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 41 2.863 24.399 -5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.399 25.409 -5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.997 26.325 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.110 26.682 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.876 26.404 -7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.093 28.287 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.885 29.784 -7.320 1.00 0.00 H new ATOM 678 N VAL A 42 4.317 24.551 -3.818 1.00 0.00 N ATOM 679 CA VAL A 42 5.244 24.701 -2.687 1.00 0.00 C ATOM 680 C VAL A 42 6.248 25.785 -3.110 1.00 0.00 C ATOM 681 O VAL A 42 6.545 25.990 -4.281 1.00 0.00 O ATOM 682 CB VAL A 42 5.974 23.367 -2.284 1.00 0.00 C ATOM 683 CG1 VAL A 42 4.979 22.283 -1.851 1.00 0.00 C ATOM 684 CG2 VAL A 42 6.923 22.720 -3.317 1.00 0.00 C ATOM 0 H VAL A 42 4.759 24.205 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 42 4.690 24.979 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 42 6.606 23.719 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.522 21.378 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.409 22.635 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.297 22.065 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.351 21.810 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.365 22.475 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.724 23.418 -3.563 1.00 0.00 H new ATOM 694 N LEU A 43 6.884 26.435 -2.134 1.00 0.00 N ATOM 695 CA LEU A 43 7.771 27.580 -2.415 1.00 0.00 C ATOM 696 C LEU A 43 9.141 27.127 -1.903 1.00 0.00 C ATOM 697 O LEU A 43 9.248 26.201 -1.096 1.00 0.00 O ATOM 698 CB LEU A 43 7.333 28.891 -1.685 1.00 0.00 C ATOM 699 CG LEU A 43 6.386 29.833 -2.453 1.00 0.00 C ATOM 700 CD1 LEU A 43 5.081 29.164 -2.861 1.00 0.00 C ATOM 701 CD2 LEU A 43 6.050 31.066 -1.604 1.00 0.00 C ATOM 0 H LEU A 43 6.806 26.195 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 43 7.757 27.829 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.849 28.613 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.231 29.451 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 43 6.920 30.119 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.458 29.879 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.295 28.313 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.554 28.821 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.380 31.720 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.563 30.751 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.967 31.604 -1.365 1.00 0.00 H new ATOM 713 N LEU A 44 10.199 27.842 -2.272 1.00 0.00 N ATOM 714 CA LEU A 44 11.578 27.397 -2.060 1.00 0.00 C ATOM 715 C LEU A 44 12.409 28.690 -1.951 1.00 0.00 C ATOM 716 O LEU A 44 12.476 29.516 -2.834 1.00 0.00 O ATOM 717 CB LEU A 44 12.169 26.525 -3.225 1.00 0.00 C ATOM 718 CG LEU A 44 11.731 25.041 -3.241 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.433 24.752 -4.010 1.00 0.00 C ATOM 720 CD2 LEU A 44 12.803 24.140 -3.868 1.00 0.00 C ATOM 0 H LEU A 44 10.127 28.751 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 44 11.606 26.760 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.884 26.979 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.257 26.563 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 44 11.570 24.825 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.212 23.686 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.613 25.313 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.552 25.052 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.459 23.106 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.987 24.454 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.726 24.219 -3.294 1.00 0.00 H new ATOM 732 N LEU A 45 13.115 28.828 -0.812 1.00 0.00 N ATOM 733 CA LEU A 45 13.858 30.051 -0.492 1.00 0.00 C ATOM 734 C LEU A 45 14.927 29.729 0.557 1.00 0.00 C ATOM 735 O LEU A 45 14.638 29.545 1.740 1.00 0.00 O ATOM 736 CB LEU A 45 12.917 31.161 0.022 1.00 0.00 C ATOM 737 CG LEU A 45 13.564 32.567 0.007 1.00 0.00 C ATOM 738 CD1 LEU A 45 12.464 33.617 -0.180 1.00 0.00 C ATOM 739 CD2 LEU A 45 14.303 32.934 1.306 1.00 0.00 C ATOM 0 H LEU A 45 13.183 28.102 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 45 14.334 30.420 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.016 31.177 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.606 30.922 1.039 1.00 0.00 H new ATOM 0 HG LEU A 45 14.291 32.550 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.909 34.612 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.948 33.439 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.752 33.548 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.727 33.934 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.603 32.913 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.103 32.216 1.485 1.00 0.00 H new ATOM 751 N GLY A 46 16.175 29.676 0.074 1.00 0.00 N ATOM 752 CA GLY A 46 17.354 29.416 0.895 1.00 0.00 C ATOM 753 C GLY A 46 17.616 27.921 1.127 1.00 0.00 C ATOM 754 O GLY A 46 17.885 27.536 2.258 1.00 0.00 O ATOM 0 H GLY A 46 16.392 29.815 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.227 29.860 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.233 29.910 1.859 1.00 0.00 H new ATOM 758 N SER A 47 17.510 27.101 0.067 1.00 0.00 N ATOM 759 CA SER A 47 17.608 25.632 0.113 1.00 0.00 C ATOM 760 C SER A 47 16.540 24.924 0.983 1.00 0.00 C ATOM 761 O SER A 47 16.577 23.718 1.212 1.00 0.00 O ATOM 762 CB SER A 47 19.040 25.226 0.482 1.00 0.00 C ATOM 763 OG SER A 47 19.293 23.886 0.114 1.00 0.00 O ATOM 0 H SER A 47 17.348 27.454 -0.876 1.00 0.00 H new ATOM 0 HA SER A 47 17.377 25.274 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 47 19.750 25.885 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.192 25.348 1.554 1.00 0.00 H new ATOM 0 HG SER A 47 18.496 23.343 0.288 1.00 0.00 H new ATOM 769 N LYS A 48 15.480 25.641 1.384 1.00 0.00 N ATOM 770 CA LYS A 48 14.429 25.143 2.282 1.00 0.00 C ATOM 771 C LYS A 48 13.071 25.508 1.698 1.00 0.00 C ATOM 772 O LYS A 48 12.932 26.500 0.980 1.00 0.00 O ATOM 773 CB LYS A 48 14.622 25.729 3.705 1.00 0.00 C ATOM 774 CG LYS A 48 14.641 27.271 3.763 1.00 0.00 C ATOM 775 CD LYS A 48 14.785 27.834 5.181 1.00 0.00 C ATOM 776 CE LYS A 48 14.775 29.368 5.125 1.00 0.00 C ATOM 777 NZ LYS A 48 14.279 29.941 6.391 1.00 0.00 N ATOM 0 H LYS A 48 15.327 26.604 1.086 1.00 0.00 H new ATOM 0 HA LYS A 48 14.488 24.058 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.821 25.363 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.558 25.351 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.465 27.638 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.721 27.653 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.970 27.477 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.713 27.482 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.782 29.735 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.146 29.701 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.282 30.979 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.310 29.608 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.895 29.640 7.173 1.00 0.00 H new ATOM 791 N ILE A 49 12.021 24.831 2.168 1.00 0.00 N ATOM 792 CA ILE A 49 10.692 25.007 1.582 1.00 0.00 C ATOM 793 C ILE A 49 10.104 26.189 2.364 1.00 0.00 C ATOM 794 O ILE A 49 10.129 26.260 3.595 1.00 0.00 O ATOM 795 CB ILE A 49 9.789 23.744 1.778 1.00 0.00 C ATOM 796 CG1 ILE A 49 10.325 22.467 1.068 1.00 0.00 C ATOM 797 CG2 ILE A 49 8.320 23.978 1.360 1.00 0.00 C ATOM 798 CD1 ILE A 49 10.480 22.583 -0.451 1.00 0.00 C ATOM 0 H ILE A 49 12.063 24.166 2.940 1.00 0.00 H new ATOM 0 HA ILE A 49 10.746 25.170 0.506 1.00 0.00 H new ATOM 0 HB ILE A 49 9.826 23.570 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.294 22.211 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.651 21.639 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.746 23.065 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.895 24.783 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.281 24.251 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.859 21.643 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.512 22.804 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.180 23.385 -0.685 1.00 0.00 H new ATOM 810 N LEU A 50 9.460 27.086 1.614 1.00 0.00 N ATOM 811 CA LEU A 50 8.804 28.271 2.159 1.00 0.00 C ATOM 812 C LEU A 50 7.305 27.944 2.114 1.00 0.00 C ATOM 813 O LEU A 50 6.807 27.115 1.357 1.00 0.00 O ATOM 814 CB LEU A 50 9.125 29.550 1.324 1.00 0.00 C ATOM 815 CG LEU A 50 9.570 30.796 2.108 1.00 0.00 C ATOM 816 CD1 LEU A 50 8.414 31.427 2.899 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.727 30.501 3.066 1.00 0.00 C ATOM 0 H LEU A 50 9.380 27.007 0.600 1.00 0.00 H new ATOM 0 HA LEU A 50 9.150 28.492 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.909 29.301 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.238 29.811 0.747 1.00 0.00 H new ATOM 0 HG LEU A 50 9.912 31.504 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.776 32.303 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.622 31.725 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.022 30.701 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.003 31.413 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.419 29.743 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.584 30.136 2.500 1.00 0.00 H new ATOM 829 N LYS A 51 6.573 28.646 2.968 1.00 0.00 N ATOM 830 CA LYS A 51 5.132 28.466 3.184 1.00 0.00 C ATOM 831 C LYS A 51 4.501 29.851 2.973 1.00 0.00 C ATOM 832 O LYS A 51 5.044 30.817 3.507 1.00 0.00 O ATOM 833 CB LYS A 51 4.862 27.965 4.630 1.00 0.00 C ATOM 834 CG LYS A 51 3.386 27.680 4.951 1.00 0.00 C ATOM 835 CD LYS A 51 2.869 26.377 4.318 1.00 0.00 C ATOM 836 CE LYS A 51 1.351 26.184 4.497 1.00 0.00 C ATOM 837 NZ LYS A 51 0.556 27.309 3.940 1.00 0.00 N ATOM 0 H LYS A 51 6.972 29.381 3.551 1.00 0.00 H new ATOM 0 HA LYS A 51 4.713 27.726 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.437 27.054 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.234 28.711 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.260 27.626 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.777 28.513 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.107 26.376 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.393 25.531 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.048 25.256 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.126 26.077 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.021 27.768 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.195 28.002 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.105 26.946 3.224 1.00 0.00 H new ATOM 851 N PRO A 52 3.417 29.944 2.187 1.00 0.00 N ATOM 852 CA PRO A 52 2.668 31.192 2.010 1.00 0.00 C ATOM 853 C PRO A 52 2.099 31.670 3.356 1.00 0.00 C ATOM 854 O PRO A 52 2.017 30.861 4.289 1.00 0.00 O ATOM 855 CB PRO A 52 1.603 30.843 0.951 1.00 0.00 C ATOM 856 CG PRO A 52 1.369 29.344 1.115 1.00 0.00 C ATOM 857 CD PRO A 52 2.768 28.857 1.458 1.00 0.00 C ATOM 0 HA PRO A 52 3.272 32.034 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.684 31.407 1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.951 31.082 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.652 29.124 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.987 28.886 0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.726 27.953 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.325 28.609 0.555 1.00 0.00 H new ATOM 865 N ARG A 53 1.248 32.699 3.314 1.00 0.00 N ATOM 866 CA ARG A 53 0.744 33.475 4.464 1.00 0.00 C ATOM 867 C ARG A 53 1.544 33.605 5.762 1.00 0.00 C ATOM 868 O ARG A 53 1.602 32.735 6.637 1.00 0.00 O ATOM 869 CB ARG A 53 -0.593 32.757 4.805 1.00 0.00 C ATOM 870 CG ARG A 53 -1.460 32.382 3.584 1.00 0.00 C ATOM 871 CD ARG A 53 -1.446 30.867 3.288 1.00 0.00 C ATOM 872 NE ARG A 53 -2.361 30.107 4.172 1.00 0.00 N ATOM 873 CZ ARG A 53 -3.680 30.091 4.083 1.00 0.00 C ATOM 874 NH1 ARG A 53 -4.313 30.743 3.136 1.00 0.00 N ATOM 875 NH2 ARG A 53 -4.372 29.373 4.929 1.00 0.00 N ATOM 0 H ARG A 53 0.868 33.036 2.430 1.00 0.00 H new ATOM 0 HA ARG A 53 0.739 34.513 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.368 31.849 5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.177 33.401 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.486 32.705 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.101 32.923 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.729 30.701 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.432 30.486 3.407 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.937 29.548 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.786 31.279 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.332 30.714 3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.894 28.832 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.390 29.354 4.869 1.00 0.00 H new ATOM 889 N ARG A 54 2.390 34.651 5.745 1.00 0.00 N ATOM 890 CA ARG A 54 3.278 35.030 6.848 1.00 0.00 C ATOM 891 C ARG A 54 3.400 36.547 6.896 1.00 0.00 C ATOM 892 O ARG A 54 3.677 37.129 5.844 1.00 0.00 O ATOM 893 CB ARG A 54 4.663 34.387 6.592 1.00 0.00 C ATOM 894 CG ARG A 54 5.596 34.444 7.821 1.00 0.00 C ATOM 895 CD ARG A 54 7.029 34.006 7.485 1.00 0.00 C ATOM 896 NE ARG A 54 7.712 35.033 6.677 1.00 0.00 N ATOM 897 CZ ARG A 54 8.773 34.837 5.910 1.00 0.00 C ATOM 898 NH1 ARG A 54 9.327 33.657 5.778 1.00 0.00 N ATOM 899 NH2 ARG A 54 9.283 35.842 5.236 1.00 0.00 N ATOM 0 H ARG A 54 2.474 35.270 4.939 1.00 0.00 H new ATOM 0 HA ARG A 54 2.881 34.683 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.525 33.347 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.143 34.895 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.612 35.460 8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.197 33.803 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.586 33.830 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.008 33.062 6.940 1.00 0.00 H new ATOM 0 HE ARG A 54 7.333 35.979 6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.941 32.854 6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.144 33.541 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.862 36.768 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.100 35.696 4.644 1.00 0.00 H new ATOM 913 N SER A 55 3.813 37.051 8.067 1.00 0.00 N ATOM 914 CA SER A 55 3.890 38.468 8.408 1.00 0.00 C ATOM 915 C SER A 55 2.979 39.520 7.738 1.00 0.00 C ATOM 916 O SER A 55 2.219 39.202 6.830 1.00 0.00 O ATOM 917 CB SER A 55 5.277 38.903 7.903 1.00 0.00 C ATOM 918 OG SER A 55 6.247 37.855 7.775 1.00 0.00 O ATOM 0 H SER A 55 4.115 36.450 8.834 1.00 0.00 H new ATOM 0 HA SER A 55 3.616 38.476 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.156 39.382 6.931 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.671 39.657 8.584 1.00 0.00 H new ATOM 0 HG SER A 55 7.072 38.115 8.235 1.00 0.00 H new ATOM 924 N LEU A 56 2.618 40.523 8.547 1.00 0.00 N ATOM 925 CA LEU A 56 1.577 41.489 8.213 1.00 0.00 C ATOM 926 C LEU A 56 2.204 42.815 7.720 1.00 0.00 C ATOM 927 O LEU A 56 1.853 43.305 6.656 1.00 0.00 O ATOM 928 CB LEU A 56 0.660 41.731 9.437 1.00 0.00 C ATOM 929 CG LEU A 56 0.494 40.585 10.463 1.00 0.00 C ATOM 930 CD1 LEU A 56 -0.396 41.042 11.606 1.00 0.00 C ATOM 931 CD2 LEU A 56 -0.089 39.287 9.884 1.00 0.00 C ATOM 0 H LEU A 56 3.047 40.684 9.458 1.00 0.00 H new ATOM 0 HA LEU A 56 0.969 41.084 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.039 42.603 9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.331 41.991 9.065 1.00 0.00 H new ATOM 0 HG LEU A 56 1.504 40.354 10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.509 40.231 12.325 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.057 41.903 12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.375 41.321 11.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.170 38.540 10.674 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.078 39.485 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.566 38.913 9.097 1.00 0.00 H new ATOM 943 N SER A 57 2.982 43.496 8.570 1.00 0.00 N ATOM 944 CA SER A 57 3.874 44.594 8.167 1.00 0.00 C ATOM 945 C SER A 57 5.169 44.600 8.997 1.00 0.00 C ATOM 946 O SER A 57 5.222 43.926 10.028 1.00 0.00 O ATOM 947 CB SER A 57 2.913 45.792 8.331 1.00 0.00 C ATOM 948 OG SER A 57 3.512 47.016 8.677 1.00 0.00 O ATOM 0 H SER A 57 3.011 43.299 9.570 1.00 0.00 H new ATOM 0 HA SER A 57 4.296 44.558 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.369 45.927 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.177 45.541 9.095 1.00 0.00 H new ATOM 0 HG SER A 57 2.822 47.708 8.755 1.00 0.00 H new ATOM 954 N SER A 58 6.012 45.630 8.819 1.00 0.00 N ATOM 955 CA SER A 58 7.219 45.873 9.617 1.00 0.00 C ATOM 956 C SER A 58 8.210 44.699 9.739 1.00 0.00 C ATOM 957 O SER A 58 9.060 44.681 10.615 1.00 0.00 O ATOM 958 CB SER A 58 6.843 46.531 10.947 1.00 0.00 C ATOM 959 OG SER A 58 7.746 47.561 11.277 1.00 0.00 O ATOM 0 H SER A 58 5.866 46.334 8.096 1.00 0.00 H new ATOM 0 HA SER A 58 7.822 46.578 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.833 46.935 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.837 45.781 11.738 1.00 0.00 H new ATOM 0 HG SER A 58 7.483 47.966 12.130 1.00 0.00 H new ATOM 965 N TYR A 59 8.115 43.684 8.865 1.00 0.00 N ATOM 966 CA TYR A 59 8.802 42.392 9.074 1.00 0.00 C ATOM 967 C TYR A 59 10.126 42.400 8.299 1.00 0.00 C ATOM 968 O TYR A 59 11.182 42.219 8.899 1.00 0.00 O ATOM 969 CB TYR A 59 7.916 41.258 8.532 1.00 0.00 C ATOM 970 CG TYR A 59 8.525 39.864 8.660 1.00 0.00 C ATOM 971 CD1 TYR A 59 9.355 39.351 7.650 1.00 0.00 C ATOM 972 CD2 TYR A 59 8.259 39.091 9.807 1.00 0.00 C ATOM 973 CE1 TYR A 59 9.955 38.086 7.801 1.00 0.00 C ATOM 974 CE2 TYR A 59 8.840 37.815 9.956 1.00 0.00 C ATOM 975 CZ TYR A 59 9.707 37.323 8.961 1.00 0.00 C ATOM 976 OH TYR A 59 10.259 36.077 9.088 1.00 0.00 O ATOM 0 H TYR A 59 7.569 43.730 8.005 1.00 0.00 H new ATOM 0 HA TYR A 59 8.991 42.241 10.137 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.963 41.274 9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.701 41.452 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.534 39.928 6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.607 39.478 10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.605 37.700 7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.621 37.218 10.829 1.00 0.00 H new ATOM 0 HH TYR A 59 9.991 35.686 9.946 1.00 0.00 H new ATOM 986 N GLY A 60 10.093 42.631 6.986 1.00 0.00 N ATOM 987 CA GLY A 60 11.254 42.683 6.105 1.00 0.00 C ATOM 988 C GLY A 60 11.120 43.735 5.008 1.00 0.00 C ATOM 989 O GLY A 60 11.934 43.760 4.093 1.00 0.00 O ATOM 0 H GLY A 60 9.217 42.794 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.144 42.894 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.401 41.705 5.647 1.00 0.00 H new ATOM 993 N ILE A 61 10.202 44.685 5.168 1.00 0.00 N ATOM 994 CA ILE A 61 9.831 45.673 4.156 1.00 0.00 C ATOM 995 C ILE A 61 9.746 47.034 4.842 1.00 0.00 C ATOM 996 O ILE A 61 9.581 47.115 6.065 1.00 0.00 O ATOM 997 CB ILE A 61 8.458 45.329 3.459 1.00 0.00 C ATOM 998 CG1 ILE A 61 7.359 44.649 4.327 1.00 0.00 C ATOM 999 CG2 ILE A 61 8.773 44.454 2.238 1.00 0.00 C ATOM 1000 CD1 ILE A 61 6.879 45.466 5.521 1.00 0.00 C ATOM 0 H ILE A 61 9.677 44.793 6.036 1.00 0.00 H new ATOM 0 HA ILE A 61 10.586 45.675 3.370 1.00 0.00 H new ATOM 0 HB ILE A 61 8.008 46.290 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.502 44.426 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.743 43.696 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.846 44.194 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.422 45.002 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.276 43.543 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.115 44.907 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.719 45.667 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.459 46.409 5.171 1.00 0.00 H new ATOM 1012 N ASP A 62 9.742 48.095 4.049 1.00 0.00 N ATOM 1013 CA ASP A 62 9.966 49.456 4.564 1.00 0.00 C ATOM 1014 C ASP A 62 8.681 50.239 4.251 1.00 0.00 C ATOM 1015 O ASP A 62 8.148 50.859 5.163 1.00 0.00 O ATOM 1016 CB ASP A 62 11.138 50.196 3.846 1.00 0.00 C ATOM 1017 CG ASP A 62 11.165 50.065 2.317 1.00 0.00 C ATOM 1018 OD1 ASP A 62 11.608 48.998 1.825 1.00 0.00 O ATOM 1019 OD2 ASP A 62 10.680 51.008 1.654 1.00 0.00 O ATOM 0 H ASP A 62 9.586 48.049 3.042 1.00 0.00 H new ATOM 0 HA ASP A 62 10.214 49.394 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.087 51.254 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.080 49.818 4.242 1.00 0.00 H new ATOM 1024 N LYS A 63 8.021 49.982 3.114 1.00 0.00 N ATOM 1025 CA LYS A 63 6.785 50.640 2.671 1.00 0.00 C ATOM 1026 C LYS A 63 6.096 49.749 1.643 1.00 0.00 C ATOM 1027 O LYS A 63 5.172 49.021 1.983 1.00 0.00 O ATOM 1028 CB LYS A 63 7.025 52.039 2.093 1.00 0.00 C ATOM 1029 CG LYS A 63 7.116 53.140 3.160 1.00 0.00 C ATOM 1030 CD LYS A 63 8.487 53.831 3.194 1.00 0.00 C ATOM 1031 CE LYS A 63 8.486 54.864 4.320 1.00 0.00 C ATOM 1032 NZ LYS A 63 9.337 56.029 3.986 1.00 0.00 N ATOM 0 H LYS A 63 8.348 49.280 2.450 1.00 0.00 H new ATOM 0 HA LYS A 63 6.148 50.779 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.948 52.030 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.217 52.281 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.344 53.886 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.909 52.708 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.276 53.097 3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.691 54.314 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.466 55.199 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.844 54.402 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.315 56.711 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.315 55.711 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.980 56.484 3.122 1.00 0.00 H new ATOM 1046 N GLU A 64 6.620 49.706 0.426 1.00 0.00 N ATOM 1047 CA GLU A 64 6.022 48.992 -0.699 1.00 0.00 C ATOM 1048 C GLU A 64 7.168 48.715 -1.661 1.00 0.00 C ATOM 1049 O GLU A 64 7.651 49.569 -2.403 1.00 0.00 O ATOM 1050 CB GLU A 64 4.880 49.811 -1.359 1.00 0.00 C ATOM 1051 CG GLU A 64 4.314 49.132 -2.620 1.00 0.00 C ATOM 1052 CD GLU A 64 2.915 49.659 -2.982 1.00 0.00 C ATOM 1053 OE1 GLU A 64 2.801 50.872 -3.249 1.00 0.00 O ATOM 1054 OE2 GLU A 64 1.979 48.829 -2.968 1.00 0.00 O ATOM 0 H GLU A 64 7.492 50.177 0.186 1.00 0.00 H new ATOM 0 HA GLU A 64 5.547 48.064 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.076 49.954 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.253 50.801 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.992 49.300 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.265 48.055 -2.460 1.00 0.00 H new ATOM 1061 N LYS A 65 7.527 47.432 -1.705 1.00 0.00 N ATOM 1062 CA LYS A 65 8.610 46.908 -2.530 1.00 0.00 C ATOM 1063 C LYS A 65 8.171 45.534 -2.996 1.00 0.00 C ATOM 1064 O LYS A 65 7.462 44.809 -2.282 1.00 0.00 O ATOM 1065 CB LYS A 65 9.977 46.839 -1.765 1.00 0.00 C ATOM 1066 CG LYS A 65 10.980 47.799 -2.423 1.00 0.00 C ATOM 1067 CD LYS A 65 12.281 48.027 -1.646 1.00 0.00 C ATOM 1068 CE LYS A 65 13.463 47.221 -2.209 1.00 0.00 C ATOM 1069 NZ LYS A 65 14.749 47.798 -1.774 1.00 0.00 N ATOM 0 H LYS A 65 7.060 46.712 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 65 8.791 47.576 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.834 47.107 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.366 45.821 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.230 47.414 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.492 48.762 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.529 49.088 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.127 47.755 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.393 46.185 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.415 47.210 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.532 47.237 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.822 48.779 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.801 47.786 -0.735 1.00 0.00 H new ATOM 1083 N THR A 66 8.754 45.121 -4.107 1.00 0.00 N ATOM 1084 CA THR A 66 8.407 43.868 -4.761 1.00 0.00 C ATOM 1085 C THR A 66 9.580 42.949 -4.464 1.00 0.00 C ATOM 1086 O THR A 66 10.692 43.379 -4.121 1.00 0.00 O ATOM 1087 CB THR A 66 8.292 44.010 -6.316 1.00 0.00 C ATOM 1088 OG1 THR A 66 9.217 44.923 -6.862 1.00 0.00 O ATOM 1089 CG2 THR A 66 6.890 44.468 -6.711 1.00 0.00 C ATOM 0 H THR A 66 9.486 45.647 -4.585 1.00 0.00 H new ATOM 0 HA THR A 66 7.442 43.511 -4.402 1.00 0.00 H new ATOM 0 HB THR A 66 8.510 43.020 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.098 44.967 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.830 44.561 -7.795 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.158 43.737 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.680 45.434 -6.252 1.00 0.00 H new ATOM 1097 N ILE A 67 9.345 41.658 -4.595 1.00 0.00 N ATOM 1098 CA ILE A 67 10.219 40.608 -4.059 1.00 0.00 C ATOM 1099 C ILE A 67 10.156 39.499 -5.104 1.00 0.00 C ATOM 1100 O ILE A 67 9.111 39.250 -5.705 1.00 0.00 O ATOM 1101 CB ILE A 67 9.799 40.001 -2.661 1.00 0.00 C ATOM 1102 CG1 ILE A 67 8.406 40.335 -2.073 1.00 0.00 C ATOM 1103 CG2 ILE A 67 10.900 40.283 -1.630 1.00 0.00 C ATOM 1104 CD1 ILE A 67 8.194 41.710 -1.429 1.00 0.00 C ATOM 0 H ILE A 67 8.528 41.292 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 67 11.203 41.040 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 67 9.686 38.941 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.674 40.228 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.172 39.579 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.611 39.865 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.833 39.825 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.039 41.360 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.169 41.788 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.884 41.831 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.378 42.490 -2.168 1.00 0.00 H new ATOM 1116 N HIS A 68 11.229 38.736 -5.203 1.00 0.00 N ATOM 1117 CA HIS A 68 11.413 37.750 -6.260 1.00 0.00 C ATOM 1118 C HIS A 68 12.089 36.567 -5.596 1.00 0.00 C ATOM 1119 O HIS A 68 13.151 36.656 -4.977 1.00 0.00 O ATOM 1120 CB HIS A 68 12.279 38.275 -7.446 1.00 0.00 C ATOM 1121 CG HIS A 68 12.401 37.298 -8.600 1.00 0.00 C ATOM 1122 ND1 HIS A 68 11.843 37.481 -9.865 1.00 0.00 N ATOM 1123 CD2 HIS A 68 13.082 36.111 -8.589 1.00 0.00 C ATOM 1124 CE1 HIS A 68 12.219 36.417 -10.594 1.00 0.00 C ATOM 1125 NE2 HIS A 68 12.952 35.575 -9.854 1.00 0.00 N ATOM 0 H HIS A 68 12.008 38.782 -4.546 1.00 0.00 H new ATOM 0 HA HIS A 68 10.451 37.494 -6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.846 39.205 -7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.277 38.512 -7.077 1.00 0.00 H new ATOM 0 HD1 HIS A 68 11.267 38.264 -10.174 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.616 35.679 -7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.965 36.262 -11.632 1.00 0.00 H new ATOM 1133 N LEU A 69 11.483 35.398 -5.801 1.00 0.00 N ATOM 1134 CA LEU A 69 11.818 34.157 -5.111 1.00 0.00 C ATOM 1135 C LEU A 69 11.433 33.008 -6.038 1.00 0.00 C ATOM 1136 O LEU A 69 10.708 33.175 -7.028 1.00 0.00 O ATOM 1137 CB LEU A 69 11.152 34.017 -3.693 1.00 0.00 C ATOM 1138 CG LEU A 69 9.968 34.936 -3.268 1.00 0.00 C ATOM 1139 CD1 LEU A 69 8.678 34.516 -3.959 1.00 0.00 C ATOM 1140 CD2 LEU A 69 9.720 34.876 -1.746 1.00 0.00 C ATOM 0 H LEU A 69 10.723 35.287 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 69 12.887 34.147 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.805 32.988 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.942 34.152 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 69 10.246 35.949 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.867 35.173 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.805 34.586 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.438 33.488 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.887 35.530 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.482 33.853 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.616 35.203 -1.218 1.00 0.00 H new ATOM 1152 N THR A 70 11.800 31.786 -5.677 1.00 0.00 N ATOM 1153 CA THR A 70 11.685 30.661 -6.596 1.00 0.00 C ATOM 1154 C THR A 70 10.604 29.797 -5.913 1.00 0.00 C ATOM 1155 O THR A 70 10.403 29.786 -4.696 1.00 0.00 O ATOM 1156 CB THR A 70 13.010 29.842 -6.773 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.568 29.370 -5.567 1.00 0.00 O ATOM 1158 CG2 THR A 70 14.107 30.648 -7.476 1.00 0.00 C ATOM 0 H THR A 70 12.178 31.549 -4.760 1.00 0.00 H new ATOM 0 HA THR A 70 11.449 30.988 -7.609 1.00 0.00 H new ATOM 0 HB THR A 70 12.693 28.993 -7.379 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.018 29.668 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.003 30.035 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.762 30.946 -8.466 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.338 31.537 -6.889 1.00 0.00 H new ATOM 1166 N LEU A 71 9.855 29.077 -6.731 1.00 0.00 N ATOM 1167 CA LEU A 71 8.788 28.179 -6.279 1.00 0.00 C ATOM 1168 C LEU A 71 8.799 26.981 -7.218 1.00 0.00 C ATOM 1169 O LEU A 71 9.446 26.991 -8.271 1.00 0.00 O ATOM 1170 CB LEU A 71 7.381 28.884 -6.144 1.00 0.00 C ATOM 1171 CG LEU A 71 6.148 28.430 -6.981 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.868 29.082 -6.463 1.00 0.00 C ATOM 1173 CD2 LEU A 71 6.262 28.704 -8.469 1.00 0.00 C ATOM 0 H LEU A 71 9.967 29.095 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 71 8.977 27.848 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.093 28.813 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.537 29.941 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 71 6.114 27.348 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.021 28.749 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.709 28.797 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.958 30.166 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.360 28.356 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.379 29.775 -8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.128 28.178 -8.871 1.00 0.00 H new ATOM 1185 N LYS A 72 8.058 25.952 -6.839 1.00 0.00 N ATOM 1186 CA LYS A 72 7.885 24.761 -7.655 1.00 0.00 C ATOM 1187 C LYS A 72 6.528 24.191 -7.282 1.00 0.00 C ATOM 1188 O LYS A 72 6.268 23.868 -6.121 1.00 0.00 O ATOM 1189 CB LYS A 72 9.016 23.721 -7.385 1.00 0.00 C ATOM 1190 CG LYS A 72 8.929 22.518 -8.344 1.00 0.00 C ATOM 1191 CD LYS A 72 9.504 21.241 -7.723 1.00 0.00 C ATOM 1192 CE LYS A 72 10.992 21.399 -7.383 1.00 0.00 C ATOM 1193 NZ LYS A 72 11.511 20.178 -6.735 1.00 0.00 N ATOM 0 H LYS A 72 7.557 25.920 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 72 7.939 25.003 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.987 24.204 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.949 23.370 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.888 22.349 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.468 22.748 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.948 20.993 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.375 20.409 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.558 21.603 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.130 22.255 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.519 20.305 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.983 20.000 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.397 19.369 -7.378 1.00 0.00 H new ATOM 1207 N VAL A 73 5.773 23.806 -8.302 1.00 0.00 N ATOM 1208 CA VAL A 73 4.391 23.340 -8.139 1.00 0.00 C ATOM 1209 C VAL A 73 4.420 21.944 -8.750 1.00 0.00 C ATOM 1210 O VAL A 73 5.105 21.664 -9.738 1.00 0.00 O ATOM 1211 CB VAL A 73 3.277 24.220 -8.804 1.00 0.00 C ATOM 1212 CG1 VAL A 73 3.746 25.580 -9.341 1.00 0.00 C ATOM 1213 CG2 VAL A 73 2.444 23.523 -9.901 1.00 0.00 C ATOM 0 H VAL A 73 6.096 23.806 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 73 4.110 23.382 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 73 2.632 24.392 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.900 26.109 -9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.159 26.171 -8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.512 25.427 -10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.703 24.220 -10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.102 23.200 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.937 22.656 -9.477 1.00 0.00 H new ATOM 1223 N VAL A 74 3.886 21.006 -7.966 1.00 0.00 N ATOM 1224 CA VAL A 74 3.853 19.579 -8.243 1.00 0.00 C ATOM 1225 C VAL A 74 2.517 18.987 -7.768 1.00 0.00 C ATOM 1226 O VAL A 74 2.109 19.278 -6.643 1.00 0.00 O ATOM 1227 CB VAL A 74 5.053 18.823 -7.596 1.00 0.00 C ATOM 1228 CG1 VAL A 74 6.371 19.110 -8.344 1.00 0.00 C ATOM 1229 CG2 VAL A 74 5.292 19.149 -6.105 1.00 0.00 C ATOM 0 H VAL A 74 3.444 21.239 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 74 3.944 19.448 -9.321 1.00 0.00 H new ATOM 0 HB VAL A 74 4.768 17.774 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.186 18.567 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.279 18.787 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.581 20.179 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.146 18.578 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.494 20.214 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.406 18.885 -5.528 1.00 0.00 H new ATOM 1239 N LYS A 75 1.968 18.067 -8.573 1.00 0.00 N ATOM 1240 CA LYS A 75 0.700 17.344 -8.316 1.00 0.00 C ATOM 1241 C LYS A 75 -0.534 18.259 -8.197 1.00 0.00 C ATOM 1242 O LYS A 75 -0.389 19.418 -8.611 1.00 0.00 O ATOM 1243 CB LYS A 75 0.908 16.423 -7.107 1.00 0.00 C ATOM 1244 CG LYS A 75 0.838 14.914 -7.380 1.00 0.00 C ATOM 1245 CD LYS A 75 -0.473 14.273 -6.923 1.00 0.00 C ATOM 1246 CE LYS A 75 -0.295 12.774 -6.659 1.00 0.00 C ATOM 1247 NZ LYS A 75 -0.415 11.967 -7.891 1.00 0.00 N ATOM 0 H LYS A 75 2.404 17.791 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 75 0.460 16.737 -9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.881 16.647 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.157 16.670 -6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.966 14.740 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.669 14.422 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.825 14.765 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.239 14.422 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.682 12.601 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.042 12.444 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.287 10.961 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.357 12.110 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.314 12.262 -8.571 1.00 0.00 H new TER 1261 LYS A 75