USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 23 TYR OH : rot 180:sc= 0.11 USER MOD Set 1.2: A 103 ASN : amide:sc= 0 X(o=-0.86,f=-0.5) USER MOD Set 1.3: A 106 ASN : amide:sc= -0.974 X(o=-0.86,f=-0.86) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -1.11 X(o=-1,f=-1.5) USER MOD Set 2.2: A 89 THR OG1 : rot -48:sc= 0.0692 USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= -0.0112 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 24 SER OG : rot -30:sc= 0.823 USER MOD Set 4.2: A 27 ASN : amide:sc= -0.0114 K(o=0.81,f=-3.9!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 132:sc= -12! (180deg=-20.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.0857 USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.0847 (180deg=0) USER MOD Single : A 36 SER OG : rot -96:sc= -1.53! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.282 K(o=-0.28,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 88:sc= 0.354 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -15:sc= 0.439! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 39:sc= 0.665 USER MOD Single : A 57 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.4!) USER MOD Single : A 59 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5.2!) USER MOD Single : A 60 SER OG : rot -170:sc= 0.0337 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 67:sc= 0.836 USER MOD Single : A 72 SER OG : rot 95:sc= -0.0915 USER MOD Single : A 74 ASN : amide:sc= -3.77! C(o=-3.8!,f=-5.7!) USER MOD Single : A 77 ASN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -44:sc= 0.223 USER MOD Single : A 91 SER OG : rot -34:sc= 0.701 USER MOD Single : A 93 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.37) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.103) USER MOD Single : A 100 SER OG : rot 98:sc= 0.0152 USER MOD Single : A 105 MET CE :methyl -152:sc= -3.56 (180deg=-5.34!) USER MOD Single : A 113 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.44) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -55:sc= 0.507 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.843 -10.806 1.950 1.00 0.00 N ATOM 2 CA LYS A 1 -5.831 -11.378 1.024 1.00 0.00 C ATOM 3 C LYS A 1 -4.810 -10.326 0.604 1.00 0.00 C ATOM 4 O LYS A 1 -4.957 -9.683 -0.434 1.00 0.00 O ATOM 5 CB LYS A 1 -6.555 -11.932 -0.205 1.00 0.00 C ATOM 6 CG LYS A 1 -5.863 -13.133 -0.829 1.00 0.00 C ATOM 7 CD LYS A 1 -6.003 -13.133 -2.342 1.00 0.00 C ATOM 8 CE LYS A 1 -6.903 -14.261 -2.819 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.197 -15.572 -2.823 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.524 -11.544 2.219 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.369 -10.445 2.803 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.345 -10.027 1.478 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.289 -12.175 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.569 -12.214 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.640 -11.143 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.807 -13.126 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.289 -14.051 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.411 -12.177 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.019 -13.234 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.780 -14.323 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.261 -14.039 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.845 -16.314 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.375 -15.522 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.877 -15.797 -1.859 1.00 0.00 H new ATOM 25 N VAL A 2 -3.776 -10.155 1.422 1.00 0.00 N ATOM 26 CA VAL A 2 -2.728 -9.179 1.141 1.00 0.00 C ATOM 27 C VAL A 2 -1.558 -9.826 0.403 1.00 0.00 C ATOM 28 O VAL A 2 -1.233 -10.990 0.638 1.00 0.00 O ATOM 29 CB VAL A 2 -2.202 -8.534 2.444 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.954 -7.707 2.180 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.274 -7.673 3.089 1.00 0.00 C ATOM 0 H VAL A 2 -3.641 -10.680 2.286 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.171 -8.408 0.511 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.941 -9.339 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.606 -7.265 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.174 -8.347 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.186 -6.915 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.882 -7.229 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.569 -6.882 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.141 -8.289 3.327 1.00 0.00 H new ATOM 41 N PHE A 3 -0.908 -9.052 -0.463 1.00 0.00 N ATOM 42 CA PHE A 3 0.248 -9.530 -1.202 1.00 0.00 C ATOM 43 C PHE A 3 1.393 -9.849 -0.249 1.00 0.00 C ATOM 44 O PHE A 3 1.406 -9.405 0.899 1.00 0.00 O ATOM 45 CB PHE A 3 0.734 -8.458 -2.179 1.00 0.00 C ATOM 46 CG PHE A 3 0.075 -8.483 -3.521 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.105 -7.795 -3.734 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.648 -9.174 -4.573 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.706 -7.797 -4.975 1.00 0.00 C ATOM 50 CE2 PHE A 3 0.051 -9.183 -5.816 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.128 -8.493 -6.019 1.00 0.00 C ATOM 0 H PHE A 3 -1.167 -8.087 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.051 -10.427 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.573 -7.478 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.809 -8.573 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.561 -7.250 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.572 -9.712 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.627 -7.255 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.505 -9.729 -6.630 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.597 -8.498 -6.992 1.00 0.00 H new ATOM 61 N GLY A 4 2.360 -10.598 -0.748 1.00 0.00 N ATOM 62 CA GLY A 4 3.519 -10.947 0.048 1.00 0.00 C ATOM 63 C GLY A 4 4.604 -9.899 -0.084 1.00 0.00 C ATOM 64 O GLY A 4 4.596 -9.116 -1.032 1.00 0.00 O ATOM 0 H GLY A 4 2.365 -10.974 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.230 -11.046 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.904 -11.916 -0.269 1.00 0.00 H new ATOM 68 N ARG A 5 5.535 -9.870 0.860 1.00 0.00 N ATOM 69 CA ARG A 5 6.615 -8.890 0.819 1.00 0.00 C ATOM 70 C ARG A 5 7.372 -8.976 -0.494 1.00 0.00 C ATOM 71 O ARG A 5 7.342 -8.041 -1.295 1.00 0.00 O ATOM 72 CB ARG A 5 7.570 -9.089 1.998 1.00 0.00 C ATOM 73 CG ARG A 5 7.688 -7.869 2.896 1.00 0.00 C ATOM 74 CD ARG A 5 6.756 -7.965 4.093 1.00 0.00 C ATOM 75 NE ARG A 5 5.361 -7.742 3.721 1.00 0.00 N ATOM 76 CZ ARG A 5 4.329 -8.135 4.460 1.00 0.00 C ATOM 77 NH1 ARG A 5 4.532 -8.768 5.607 1.00 0.00 N ATOM 78 NH2 ARG A 5 3.090 -7.893 4.052 1.00 0.00 N ATOM 0 H ARG A 5 5.566 -10.506 1.657 1.00 0.00 H new ATOM 0 HA ARG A 5 6.172 -7.897 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.228 -9.936 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.558 -9.346 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.717 -7.769 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.455 -6.971 2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.856 -8.949 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.053 -7.232 4.843 1.00 0.00 H new ATOM 0 HE ARG A 5 5.168 -7.257 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.483 -8.955 5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.737 -9.068 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.929 -7.405 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.298 -8.195 4.620 1.00 0.00 H new ATOM 92 N CYS A 6 8.043 -10.095 -0.723 1.00 0.00 N ATOM 93 CA CYS A 6 8.787 -10.269 -1.956 1.00 0.00 C ATOM 94 C CYS A 6 7.857 -10.654 -3.092 1.00 0.00 C ATOM 95 O CYS A 6 8.048 -10.220 -4.221 1.00 0.00 O ATOM 96 CB CYS A 6 9.880 -11.314 -1.800 1.00 0.00 C ATOM 97 SG CYS A 6 10.683 -11.315 -0.165 1.00 0.00 S ATOM 0 H CYS A 6 8.086 -10.885 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 6 9.259 -9.316 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.453 -12.300 -1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.638 -11.147 -2.565 1.00 0.00 H new ATOM 102 N GLU A 7 6.839 -11.454 -2.786 1.00 0.00 N ATOM 103 CA GLU A 7 5.878 -11.858 -3.803 1.00 0.00 C ATOM 104 C GLU A 7 5.460 -10.629 -4.591 1.00 0.00 C ATOM 105 O GLU A 7 5.498 -10.610 -5.823 1.00 0.00 O ATOM 106 CB GLU A 7 4.657 -12.522 -3.164 1.00 0.00 C ATOM 107 CG GLU A 7 5.001 -13.731 -2.307 1.00 0.00 C ATOM 108 CD GLU A 7 5.263 -14.976 -3.133 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.328 -15.440 -3.818 1.00 0.00 O ATOM 110 OE2 GLU A 7 6.402 -15.485 -3.094 1.00 0.00 O ATOM 0 H GLU A 7 6.661 -11.830 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 7 6.340 -12.586 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.135 -11.788 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.967 -12.829 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.882 -13.507 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.183 -13.925 -1.614 1.00 0.00 H new ATOM 117 N LEU A 8 5.092 -9.589 -3.854 1.00 0.00 N ATOM 118 CA LEU A 8 4.692 -8.326 -4.443 1.00 0.00 C ATOM 119 C LEU A 8 5.868 -7.684 -5.173 1.00 0.00 C ATOM 120 O LEU A 8 5.701 -7.161 -6.272 1.00 0.00 O ATOM 121 CB LEU A 8 4.165 -7.384 -3.351 1.00 0.00 C ATOM 122 CG LEU A 8 3.740 -5.978 -3.804 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.915 -5.015 -3.738 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.148 -6.003 -5.206 1.00 0.00 C ATOM 0 H LEU A 8 5.064 -9.601 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 8 3.897 -8.510 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.310 -7.861 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.938 -7.278 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 8 2.966 -5.629 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.593 -4.026 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.282 -4.959 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.713 -5.369 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.858 -4.993 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.890 -6.383 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.271 -6.651 -5.219 1.00 0.00 H new ATOM 136 N ALA A 9 7.060 -7.725 -4.563 1.00 0.00 N ATOM 137 CA ALA A 9 8.244 -7.127 -5.180 1.00 0.00 C ATOM 138 C ALA A 9 8.566 -7.773 -6.521 1.00 0.00 C ATOM 139 O ALA A 9 8.688 -7.082 -7.531 1.00 0.00 O ATOM 140 CB ALA A 9 9.438 -7.212 -4.250 1.00 0.00 C ATOM 0 H ALA A 9 7.226 -8.160 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 9 8.020 -6.076 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.306 -6.761 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.217 -6.679 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.650 -8.257 -4.025 1.00 0.00 H new ATOM 146 N ALA A 10 8.697 -9.096 -6.533 1.00 0.00 N ATOM 147 CA ALA A 10 8.993 -9.815 -7.762 1.00 0.00 C ATOM 148 C ALA A 10 8.015 -9.403 -8.850 1.00 0.00 C ATOM 149 O ALA A 10 8.391 -9.238 -10.011 1.00 0.00 O ATOM 150 CB ALA A 10 8.931 -11.317 -7.527 1.00 0.00 C ATOM 0 H ALA A 10 8.603 -9.688 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 10 10.003 -9.563 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.155 -11.840 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.661 -11.597 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.932 -11.591 -7.188 1.00 0.00 H new ATOM 156 N ALA A 11 6.757 -9.218 -8.458 1.00 0.00 N ATOM 157 CA ALA A 11 5.730 -8.804 -9.397 1.00 0.00 C ATOM 158 C ALA A 11 6.019 -7.410 -9.903 1.00 0.00 C ATOM 159 O ALA A 11 5.817 -7.097 -11.076 1.00 0.00 O ATOM 160 CB ALA A 11 4.352 -8.879 -8.758 1.00 0.00 C ATOM 0 H ALA A 11 6.430 -9.349 -7.501 1.00 0.00 H new ATOM 0 HA ALA A 11 5.739 -9.487 -10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.599 -8.564 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.151 -9.904 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.318 -8.223 -7.889 1.00 0.00 H new ATOM 166 N MET A 12 6.502 -6.588 -9.001 1.00 0.00 N ATOM 167 CA MET A 12 6.851 -5.207 -9.321 1.00 0.00 C ATOM 168 C MET A 12 7.877 -5.170 -10.443 1.00 0.00 C ATOM 169 O MET A 12 7.690 -4.487 -11.449 1.00 0.00 O ATOM 170 CB MET A 12 7.427 -4.491 -8.103 1.00 0.00 C ATOM 171 CG MET A 12 6.607 -4.659 -6.839 1.00 0.00 C ATOM 172 SD MET A 12 6.761 -3.248 -5.732 1.00 0.00 S ATOM 173 CE MET A 12 6.324 -1.919 -6.843 1.00 0.00 C ATOM 0 H MET A 12 6.667 -6.847 -8.028 1.00 0.00 H new ATOM 0 HA MET A 12 5.939 -4.700 -9.635 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.436 -4.862 -7.921 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.514 -3.428 -8.328 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.559 -4.797 -7.104 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.926 -5.562 -6.319 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.592 -1.269 -6.363 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.216 -1.342 -7.088 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.897 -2.334 -7.756 1.00 0.00 H new ATOM 183 N LYS A 13 8.963 -5.917 -10.255 1.00 0.00 N ATOM 184 CA LYS A 13 10.025 -5.981 -11.248 1.00 0.00 C ATOM 185 C LYS A 13 9.440 -6.316 -12.610 1.00 0.00 C ATOM 186 O LYS A 13 9.797 -5.709 -13.619 1.00 0.00 O ATOM 187 CB LYS A 13 11.067 -7.029 -10.851 1.00 0.00 C ATOM 188 CG LYS A 13 12.371 -6.915 -11.624 1.00 0.00 C ATOM 189 CD LYS A 13 12.891 -8.279 -12.043 1.00 0.00 C ATOM 190 CE LYS A 13 12.996 -8.395 -13.555 1.00 0.00 C ATOM 191 NZ LYS A 13 12.165 -9.512 -14.085 1.00 0.00 N ATOM 0 H LYS A 13 9.128 -6.485 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 13 10.515 -5.009 -11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.277 -6.935 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.648 -8.023 -11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.218 -6.296 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.117 -6.413 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.870 -8.450 -11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.227 -9.055 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.680 -7.458 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.037 -8.552 -13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.264 -9.558 -15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.483 -10.410 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.168 -9.349 -13.839 1.00 0.00 H new ATOM 205 N ARG A 14 8.530 -7.282 -12.624 1.00 0.00 N ATOM 206 CA ARG A 14 7.882 -7.694 -13.857 1.00 0.00 C ATOM 207 C ARG A 14 7.056 -6.547 -14.410 1.00 0.00 C ATOM 208 O ARG A 14 7.023 -6.316 -15.620 1.00 0.00 O ATOM 209 CB ARG A 14 6.993 -8.915 -13.614 1.00 0.00 C ATOM 210 CG ARG A 14 7.501 -10.181 -14.284 1.00 0.00 C ATOM 211 CD ARG A 14 6.889 -11.425 -13.662 1.00 0.00 C ATOM 212 NE ARG A 14 7.384 -12.649 -14.285 1.00 0.00 N ATOM 213 CZ ARG A 14 7.459 -13.819 -13.656 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.072 -13.922 -12.392 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.921 -14.886 -14.292 1.00 0.00 N ATOM 0 H ARG A 14 8.226 -7.793 -11.795 1.00 0.00 H new ATOM 0 HA ARG A 14 8.648 -7.966 -14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.914 -9.089 -12.541 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.988 -8.700 -13.977 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.264 -10.151 -15.348 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.587 -10.228 -14.200 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.113 -11.445 -12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.804 -11.382 -13.759 1.00 0.00 H new ATOM 0 HE ARG A 14 7.690 -12.605 -15.257 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.716 -13.103 -11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.131 -14.820 -11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.219 -14.811 -15.264 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.978 -15.783 -13.809 1.00 0.00 H new ATOM 229 N HIS A 15 6.366 -5.845 -13.516 1.00 0.00 N ATOM 230 CA HIS A 15 5.508 -4.739 -13.905 1.00 0.00 C ATOM 231 C HIS A 15 6.310 -3.486 -14.230 1.00 0.00 C ATOM 232 O HIS A 15 5.743 -2.490 -14.680 1.00 0.00 O ATOM 233 CB HIS A 15 4.525 -4.434 -12.778 1.00 0.00 C ATOM 234 CG HIS A 15 3.434 -5.448 -12.631 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.446 -5.352 -11.675 1.00 0.00 N ATOM 236 CD2 HIS A 15 3.175 -6.584 -13.324 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.630 -6.383 -11.783 1.00 0.00 C ATOM 238 NE2 HIS A 15 2.049 -7.146 -12.776 1.00 0.00 N ATOM 0 H HIS A 15 6.387 -6.027 -12.513 1.00 0.00 H new ATOM 0 HA HIS A 15 4.970 -5.036 -14.806 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.074 -4.367 -11.839 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.077 -3.456 -12.955 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.359 -4.601 -10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.748 -6.974 -14.152 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.765 -6.571 -11.164 1.00 0.00 H new ATOM 247 N GLY A 16 7.629 -3.535 -14.052 1.00 0.00 N ATOM 248 CA GLY A 16 8.457 -2.395 -14.389 1.00 0.00 C ATOM 249 C GLY A 16 8.425 -1.257 -13.387 1.00 0.00 C ATOM 250 O GLY A 16 8.697 -0.115 -13.761 1.00 0.00 O ATOM 0 H GLY A 16 8.134 -4.340 -13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.487 -2.734 -14.498 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.143 -2.012 -15.360 1.00 0.00 H new ATOM 254 N LEU A 17 8.104 -1.523 -12.118 1.00 0.00 N ATOM 255 CA LEU A 17 8.071 -0.438 -11.146 1.00 0.00 C ATOM 256 C LEU A 17 9.473 -0.114 -10.667 1.00 0.00 C ATOM 257 O LEU A 17 9.702 0.886 -9.992 1.00 0.00 O ATOM 258 CB LEU A 17 7.158 -0.765 -9.958 1.00 0.00 C ATOM 259 CG LEU A 17 5.833 -1.468 -10.288 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.724 -0.972 -9.374 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.426 -1.262 -11.743 1.00 0.00 C ATOM 0 H LEU A 17 7.872 -2.447 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 17 7.657 0.438 -11.645 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.714 -1.394 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.931 0.164 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 17 5.988 -2.535 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.793 -1.481 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.986 -1.181 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.597 0.102 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.484 -1.776 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.305 -0.197 -11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.198 -1.666 -12.398 1.00 0.00 H new ATOM 273 N ASP A 18 10.409 -0.955 -11.052 1.00 0.00 N ATOM 274 CA ASP A 18 11.808 -0.758 -10.694 1.00 0.00 C ATOM 275 C ASP A 18 12.413 0.322 -11.581 1.00 0.00 C ATOM 276 O ASP A 18 12.852 0.044 -12.698 1.00 0.00 O ATOM 277 CB ASP A 18 12.591 -2.067 -10.829 1.00 0.00 C ATOM 278 CG ASP A 18 14.088 -1.845 -10.909 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.655 -1.270 -9.956 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.695 -2.245 -11.925 1.00 0.00 O ATOM 0 H ASP A 18 10.231 -1.787 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 18 11.866 -0.439 -9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.368 -2.709 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.257 -2.595 -11.722 1.00 0.00 H new ATOM 285 N ASN A 19 12.383 1.561 -11.083 1.00 0.00 N ATOM 286 CA ASN A 19 12.879 2.726 -11.819 1.00 0.00 C ATOM 287 C ASN A 19 11.779 3.249 -12.737 1.00 0.00 C ATOM 288 O ASN A 19 12.029 3.629 -13.882 1.00 0.00 O ATOM 289 CB ASN A 19 14.140 2.394 -12.625 1.00 0.00 C ATOM 290 CG ASN A 19 15.240 3.417 -12.426 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.390 4.346 -13.220 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.018 3.251 -11.363 1.00 0.00 N ATOM 0 H ASN A 19 12.014 1.784 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 19 13.152 3.497 -11.099 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.506 1.410 -12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.887 2.338 -13.684 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.776 3.908 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.858 2.467 -10.731 1.00 0.00 H new ATOM 299 N TYR A 20 10.552 3.245 -12.216 1.00 0.00 N ATOM 300 CA TYR A 20 9.387 3.698 -12.976 1.00 0.00 C ATOM 301 C TYR A 20 9.083 5.155 -12.678 1.00 0.00 C ATOM 302 O TYR A 20 9.001 5.556 -11.518 1.00 0.00 O ATOM 303 CB TYR A 20 8.166 2.836 -12.664 1.00 0.00 C ATOM 304 CG TYR A 20 7.036 3.023 -13.652 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.033 2.349 -14.866 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.980 3.881 -13.374 1.00 0.00 C ATOM 307 CE1 TYR A 20 6.006 2.523 -15.775 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.950 4.060 -14.277 1.00 0.00 C ATOM 309 CZ TYR A 20 4.969 3.379 -15.477 1.00 0.00 C ATOM 310 OH TYR A 20 3.945 3.555 -16.379 1.00 0.00 O ATOM 0 H TYR A 20 10.339 2.932 -11.269 1.00 0.00 H new ATOM 0 HA TYR A 20 9.622 3.599 -14.036 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.462 1.787 -12.655 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.808 3.074 -11.663 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.846 1.678 -15.104 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.964 4.417 -12.437 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.017 1.990 -16.714 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.135 4.729 -14.045 1.00 0.00 H new ATOM 0 HH TYR A 20 3.823 2.734 -16.900 1.00 0.00 H new ATOM 320 N ARG A 21 8.947 5.952 -13.734 1.00 0.00 N ATOM 321 CA ARG A 21 8.695 7.375 -13.573 1.00 0.00 C ATOM 322 C ARG A 21 9.856 7.977 -12.802 1.00 0.00 C ATOM 323 O ARG A 21 9.753 9.045 -12.199 1.00 0.00 O ATOM 324 CB ARG A 21 7.375 7.622 -12.841 1.00 0.00 C ATOM 325 CG ARG A 21 6.310 8.266 -13.713 1.00 0.00 C ATOM 326 CD ARG A 21 6.696 9.682 -14.112 1.00 0.00 C ATOM 327 NE ARG A 21 6.981 10.519 -12.949 1.00 0.00 N ATOM 328 CZ ARG A 21 6.708 11.820 -12.892 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.145 12.428 -13.928 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.997 12.512 -11.799 1.00 0.00 N ATOM 0 H ARG A 21 9.007 5.637 -14.702 1.00 0.00 H new ATOM 0 HA ARG A 21 8.611 7.845 -14.553 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.997 6.673 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.561 8.261 -11.978 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.158 7.663 -14.608 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.361 8.284 -13.177 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.572 9.650 -14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.888 10.129 -14.691 1.00 0.00 H new ATOM 0 HE ARG A 21 7.413 10.082 -12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.921 11.898 -14.770 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.936 13.425 -13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.429 12.047 -11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.787 13.509 -11.756 1.00 0.00 H new ATOM 344 N GLY A 22 10.969 7.252 -12.847 1.00 0.00 N ATOM 345 CA GLY A 22 12.174 7.673 -12.175 1.00 0.00 C ATOM 346 C GLY A 22 12.289 7.151 -10.755 1.00 0.00 C ATOM 347 O GLY A 22 13.205 7.545 -10.033 1.00 0.00 O ATOM 0 H GLY A 22 11.052 6.367 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.037 7.336 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.209 8.762 -12.157 1.00 0.00 H new ATOM 351 N TYR A 23 11.376 6.270 -10.328 1.00 0.00 N ATOM 352 CA TYR A 23 11.450 5.749 -8.972 1.00 0.00 C ATOM 353 C TYR A 23 11.791 4.269 -8.937 1.00 0.00 C ATOM 354 O TYR A 23 11.188 3.460 -9.636 1.00 0.00 O ATOM 355 CB TYR A 23 10.157 6.036 -8.215 1.00 0.00 C ATOM 356 CG TYR A 23 10.184 7.370 -7.506 1.00 0.00 C ATOM 357 CD1 TYR A 23 11.063 7.597 -6.454 1.00 0.00 C ATOM 358 CD2 TYR A 23 9.341 8.404 -7.891 1.00 0.00 C ATOM 359 CE1 TYR A 23 11.099 8.817 -5.804 1.00 0.00 C ATOM 360 CE2 TYR A 23 9.372 9.626 -7.246 1.00 0.00 C ATOM 361 CZ TYR A 23 10.252 9.827 -6.205 1.00 0.00 C ATOM 362 OH TYR A 23 10.285 11.043 -5.561 1.00 0.00 O ATOM 0 H TYR A 23 10.601 5.915 -10.889 1.00 0.00 H new ATOM 0 HA TYR A 23 12.267 6.268 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.320 6.016 -8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.984 5.244 -7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.729 6.807 -6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.650 8.251 -8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.787 8.977 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.709 10.420 -7.557 1.00 0.00 H new ATOM 0 HH TYR A 23 9.626 11.645 -5.966 1.00 0.00 H new ATOM 372 N SER A 24 12.781 3.931 -8.114 1.00 0.00 N ATOM 373 CA SER A 24 13.236 2.558 -7.971 1.00 0.00 C ATOM 374 C SER A 24 12.278 1.745 -7.113 1.00 0.00 C ATOM 375 O SER A 24 11.469 2.294 -6.366 1.00 0.00 O ATOM 376 CB SER A 24 14.638 2.525 -7.360 1.00 0.00 C ATOM 377 OG SER A 24 14.615 2.957 -6.010 1.00 0.00 O ATOM 0 H SER A 24 13.285 4.600 -7.532 1.00 0.00 H new ATOM 0 HA SER A 24 13.266 2.111 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.038 1.513 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.306 3.164 -7.938 1.00 0.00 H new ATOM 0 HG SER A 24 13.887 3.601 -5.885 1.00 0.00 H new ATOM 383 N LEU A 25 12.386 0.431 -7.241 1.00 0.00 N ATOM 384 CA LEU A 25 11.549 -0.512 -6.506 1.00 0.00 C ATOM 385 C LEU A 25 11.340 -0.104 -5.047 1.00 0.00 C ATOM 386 O LEU A 25 10.203 0.010 -4.589 1.00 0.00 O ATOM 387 CB LEU A 25 12.182 -1.899 -6.568 1.00 0.00 C ATOM 388 CG LEU A 25 11.518 -2.862 -7.545 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.458 -4.005 -7.890 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.220 -3.390 -6.961 1.00 0.00 C ATOM 0 H LEU A 25 13.061 -0.016 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 25 10.567 -0.517 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.232 -1.792 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.156 -2.340 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 25 11.289 -2.323 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.966 -4.682 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.363 -3.606 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.719 -4.548 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.755 -4.077 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.428 -3.915 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.544 -2.558 -6.766 1.00 0.00 H new ATOM 402 N GLY A 26 12.437 0.083 -4.320 1.00 0.00 N ATOM 403 CA GLY A 26 12.358 0.445 -2.911 1.00 0.00 C ATOM 404 C GLY A 26 11.303 1.494 -2.602 1.00 0.00 C ATOM 405 O GLY A 26 10.616 1.406 -1.583 1.00 0.00 O ATOM 0 H GLY A 26 13.386 -0.010 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.147 -0.451 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.330 0.815 -2.586 1.00 0.00 H new ATOM 409 N ASN A 27 11.179 2.490 -3.469 1.00 0.00 N ATOM 410 CA ASN A 27 10.206 3.563 -3.268 1.00 0.00 C ATOM 411 C ASN A 27 8.771 3.052 -3.396 1.00 0.00 C ATOM 412 O ASN A 27 7.866 3.536 -2.717 1.00 0.00 O ATOM 413 CB ASN A 27 10.451 4.688 -4.274 1.00 0.00 C ATOM 414 CG ASN A 27 11.919 5.044 -4.398 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.528 4.857 -5.451 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.496 5.559 -3.319 1.00 0.00 N ATOM 0 H ASN A 27 11.737 2.580 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 27 10.336 3.946 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.069 4.388 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.890 5.572 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.483 5.817 -3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.953 5.697 -2.467 1.00 0.00 H new ATOM 423 N TRP A 28 8.576 2.080 -4.276 1.00 0.00 N ATOM 424 CA TRP A 28 7.258 1.500 -4.513 1.00 0.00 C ATOM 425 C TRP A 28 6.846 0.551 -3.400 1.00 0.00 C ATOM 426 O TRP A 28 5.679 0.518 -3.011 1.00 0.00 O ATOM 427 CB TRP A 28 7.247 0.784 -5.850 1.00 0.00 C ATOM 428 CG TRP A 28 7.622 1.693 -6.965 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.859 1.852 -7.498 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.758 2.587 -7.665 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.827 2.801 -8.483 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.547 3.269 -8.610 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.395 2.874 -7.582 1.00 0.00 C ATOM 434 CZ2 TRP A 28 7.023 4.228 -9.470 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.862 3.821 -8.431 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.674 4.493 -9.368 1.00 0.00 C ATOM 0 H TRP A 28 9.320 1.672 -4.843 1.00 0.00 H new ATOM 0 HA TRP A 28 6.532 2.313 -4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.940 -0.057 -5.818 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.255 0.373 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.740 1.309 -7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.628 3.110 -9.034 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.769 2.364 -6.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.646 4.743 -10.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.808 4.051 -8.378 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.230 5.231 -10.019 1.00 0.00 H new ATOM 447 N VAL A 29 7.793 -0.223 -2.885 1.00 0.00 N ATOM 448 CA VAL A 29 7.494 -1.164 -1.818 1.00 0.00 C ATOM 449 C VAL A 29 7.138 -0.433 -0.534 1.00 0.00 C ATOM 450 O VAL A 29 6.129 -0.735 0.100 1.00 0.00 O ATOM 451 CB VAL A 29 8.686 -2.104 -1.554 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.399 -3.032 -0.382 1.00 0.00 C ATOM 453 CG2 VAL A 29 9.021 -2.900 -2.807 1.00 0.00 C ATOM 0 H VAL A 29 8.767 -0.217 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 29 6.640 -1.758 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 29 9.551 -1.495 -1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.256 -3.685 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.216 -2.440 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.520 -3.637 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.865 -3.559 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.157 -3.496 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.281 -2.215 -3.614 1.00 0.00 H new ATOM 463 N CYS A 30 7.973 0.521 -0.151 1.00 0.00 N ATOM 464 CA CYS A 30 7.742 1.286 1.062 1.00 0.00 C ATOM 465 C CYS A 30 6.413 2.033 0.996 1.00 0.00 C ATOM 466 O CYS A 30 5.638 2.018 1.954 1.00 0.00 O ATOM 467 CB CYS A 30 8.885 2.272 1.295 1.00 0.00 C ATOM 468 SG CYS A 30 8.946 2.939 2.987 1.00 0.00 S ATOM 0 H CYS A 30 8.816 0.783 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 30 7.700 0.586 1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.831 1.776 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.788 3.099 0.592 1.00 0.00 H new ATOM 473 N ALA A 31 6.149 2.690 -0.133 1.00 0.00 N ATOM 474 CA ALA A 31 4.912 3.440 -0.306 1.00 0.00 C ATOM 475 C ALA A 31 3.694 2.530 -0.217 1.00 0.00 C ATOM 476 O ALA A 31 2.722 2.848 0.465 1.00 0.00 O ATOM 477 CB ALA A 31 4.923 4.173 -1.638 1.00 0.00 C ATOM 0 H ALA A 31 6.775 2.716 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 31 4.847 4.169 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.993 4.729 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.765 4.864 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.018 3.452 -2.450 1.00 0.00 H new ATOM 483 N ALA A 32 3.753 1.399 -0.911 1.00 0.00 N ATOM 484 CA ALA A 32 2.652 0.444 -0.915 1.00 0.00 C ATOM 485 C ALA A 32 2.454 -0.192 0.457 1.00 0.00 C ATOM 486 O ALA A 32 1.327 -0.319 0.934 1.00 0.00 O ATOM 487 CB ALA A 32 2.892 -0.631 -1.964 1.00 0.00 C ATOM 0 H ALA A 32 4.553 1.121 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 32 1.741 0.989 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.062 -1.338 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.966 -0.169 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.820 -1.158 -1.740 1.00 0.00 H new ATOM 493 N LYS A 33 3.554 -0.601 1.082 1.00 0.00 N ATOM 494 CA LYS A 33 3.508 -1.239 2.393 1.00 0.00 C ATOM 495 C LYS A 33 2.676 -0.434 3.382 1.00 0.00 C ATOM 496 O LYS A 33 1.742 -0.952 3.985 1.00 0.00 O ATOM 497 CB LYS A 33 4.925 -1.419 2.942 1.00 0.00 C ATOM 498 CG LYS A 33 4.985 -2.258 4.208 1.00 0.00 C ATOM 499 CD LYS A 33 6.193 -1.900 5.057 1.00 0.00 C ATOM 500 CE LYS A 33 7.157 -3.069 5.177 1.00 0.00 C ATOM 501 NZ LYS A 33 7.105 -3.695 6.526 1.00 0.00 N ATOM 0 H LYS A 33 4.494 -0.501 0.698 1.00 0.00 H new ATOM 0 HA LYS A 33 3.036 -2.213 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.545 -1.886 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.354 -0.438 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.074 -2.109 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.025 -3.315 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.708 -1.046 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.863 -1.596 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.917 -3.816 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.171 -2.725 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.986 -3.489 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.297 -3.310 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.995 -4.724 6.427 1.00 0.00 H new ATOM 515 N PHE A 34 3.033 0.825 3.571 1.00 0.00 N ATOM 516 CA PHE A 34 2.317 1.667 4.516 1.00 0.00 C ATOM 517 C PHE A 34 0.975 2.128 3.976 1.00 0.00 C ATOM 518 O PHE A 34 0.038 2.360 4.743 1.00 0.00 O ATOM 519 CB PHE A 34 3.166 2.855 4.921 1.00 0.00 C ATOM 520 CG PHE A 34 4.005 2.608 6.142 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.465 2.751 7.410 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.332 2.232 6.022 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.233 2.524 8.535 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.106 2.003 7.144 1.00 0.00 C ATOM 525 CZ PHE A 34 5.556 2.149 8.402 1.00 0.00 C ATOM 0 H PHE A 34 3.806 1.284 3.089 1.00 0.00 H new ATOM 0 HA PHE A 34 2.115 1.059 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.819 3.124 4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.515 3.710 5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.431 3.043 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.767 2.116 5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.800 2.639 9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.140 1.710 7.037 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.159 1.970 9.280 1.00 0.00 H new ATOM 535 N GLU A 35 0.877 2.272 2.665 1.00 0.00 N ATOM 536 CA GLU A 35 -0.360 2.717 2.041 1.00 0.00 C ATOM 537 C GLU A 35 -1.508 1.750 2.305 1.00 0.00 C ATOM 538 O GLU A 35 -2.575 2.150 2.770 1.00 0.00 O ATOM 539 CB GLU A 35 -0.154 2.853 0.532 1.00 0.00 C ATOM 540 CG GLU A 35 0.037 4.286 0.066 1.00 0.00 C ATOM 541 CD GLU A 35 0.711 4.369 -1.289 1.00 0.00 C ATOM 542 OE1 GLU A 35 0.058 4.030 -2.298 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.891 4.773 -1.342 1.00 0.00 O ATOM 0 H GLU A 35 1.638 2.088 2.012 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.622 3.681 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.717 2.266 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.014 2.425 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.933 4.781 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.635 4.827 0.800 1.00 0.00 H new ATOM 550 N SER A 36 -1.302 0.488 1.948 1.00 0.00 N ATOM 551 CA SER A 36 -2.349 -0.522 2.087 1.00 0.00 C ATOM 552 C SER A 36 -1.850 -1.813 2.727 1.00 0.00 C ATOM 553 O SER A 36 -2.603 -2.782 2.830 1.00 0.00 O ATOM 554 CB SER A 36 -2.919 -0.842 0.704 1.00 0.00 C ATOM 555 OG SER A 36 -1.900 -1.297 -0.168 1.00 0.00 O ATOM 0 H SER A 36 -0.425 0.139 1.562 1.00 0.00 H new ATOM 0 HA SER A 36 -3.112 -0.107 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.694 -1.603 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.391 0.047 0.286 1.00 0.00 H new ATOM 0 HG SER A 36 -1.574 -0.548 -0.709 1.00 0.00 H new ATOM 561 N ASN A 37 -0.589 -1.841 3.135 1.00 0.00 N ATOM 562 CA ASN A 37 -0.022 -3.045 3.735 1.00 0.00 C ATOM 563 C ASN A 37 -0.080 -4.190 2.733 1.00 0.00 C ATOM 564 O ASN A 37 -0.126 -5.355 3.108 1.00 0.00 O ATOM 565 CB ASN A 37 -0.774 -3.420 5.015 1.00 0.00 C ATOM 566 CG ASN A 37 0.147 -3.540 6.213 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.377 -2.569 6.933 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.679 -4.737 6.433 1.00 0.00 N ATOM 0 H ASN A 37 0.056 -1.054 3.064 1.00 0.00 H new ATOM 0 HA ASN A 37 1.017 -2.850 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.535 -2.667 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.294 -4.366 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.306 -4.879 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.461 -5.515 5.810 1.00 0.00 H new ATOM 575 N PHE A 38 -0.065 -3.817 1.455 1.00 0.00 N ATOM 576 CA PHE A 38 -0.106 -4.747 0.335 1.00 0.00 C ATOM 577 C PHE A 38 -1.452 -5.445 0.238 1.00 0.00 C ATOM 578 O PHE A 38 -1.571 -6.496 -0.381 1.00 0.00 O ATOM 579 CB PHE A 38 1.042 -5.758 0.420 1.00 0.00 C ATOM 580 CG PHE A 38 2.388 -5.098 0.484 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.832 -4.308 -0.565 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.205 -5.255 1.591 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.064 -3.687 -0.511 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.440 -4.638 1.650 1.00 0.00 C ATOM 585 CZ PHE A 38 4.870 -3.852 0.597 1.00 0.00 C ATOM 0 H PHE A 38 -0.023 -2.840 1.166 1.00 0.00 H new ATOM 0 HA PHE A 38 0.024 -4.169 -0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.906 -6.384 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.006 -6.417 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.206 -4.177 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.873 -5.866 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.396 -3.073 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.069 -4.770 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.835 -3.368 0.641 1.00 0.00 H new ATOM 595 N ASN A 39 -2.478 -4.839 0.825 1.00 0.00 N ATOM 596 CA ASN A 39 -3.819 -5.404 0.772 1.00 0.00 C ATOM 597 C ASN A 39 -4.464 -5.069 -0.564 1.00 0.00 C ATOM 598 O ASN A 39 -4.685 -3.902 -0.887 1.00 0.00 O ATOM 599 CB ASN A 39 -4.671 -4.891 1.931 1.00 0.00 C ATOM 600 CG ASN A 39 -6.054 -5.514 1.957 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.317 -6.498 1.267 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.944 -4.944 2.760 1.00 0.00 N ATOM 0 H ASN A 39 -2.407 -3.961 1.340 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.749 -6.488 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.163 -5.102 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.766 -3.808 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.890 -5.321 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.682 -4.129 3.315 1.00 0.00 H new ATOM 609 N THR A 40 -4.718 -6.103 -1.350 1.00 0.00 N ATOM 610 CA THR A 40 -5.288 -5.940 -2.674 1.00 0.00 C ATOM 611 C THR A 40 -6.680 -5.352 -2.580 1.00 0.00 C ATOM 612 O THR A 40 -7.243 -4.877 -3.565 1.00 0.00 O ATOM 613 CB THR A 40 -5.365 -7.289 -3.416 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.643 -7.898 -3.199 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.278 -8.239 -2.940 1.00 0.00 C ATOM 0 H THR A 40 -4.536 -7.072 -1.089 1.00 0.00 H new ATOM 0 HA THR A 40 -4.638 -5.265 -3.230 1.00 0.00 H new ATOM 0 HB THR A 40 -5.222 -7.092 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.274 -7.586 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.357 -9.182 -3.481 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.300 -7.795 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.397 -8.422 -1.872 1.00 0.00 H new ATOM 623 N GLN A 41 -7.236 -5.429 -1.385 1.00 0.00 N ATOM 624 CA GLN A 41 -8.578 -4.952 -1.128 1.00 0.00 C ATOM 625 C GLN A 41 -8.609 -3.788 -0.133 1.00 0.00 C ATOM 626 O GLN A 41 -9.684 -3.337 0.263 1.00 0.00 O ATOM 627 CB GLN A 41 -9.392 -6.119 -0.592 1.00 0.00 C ATOM 628 CG GLN A 41 -10.144 -6.890 -1.666 1.00 0.00 C ATOM 629 CD GLN A 41 -11.259 -7.744 -1.095 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.303 -7.233 -0.690 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.043 -9.054 -1.062 1.00 0.00 N ATOM 0 H GLN A 41 -6.769 -5.823 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.998 -4.571 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.726 -6.803 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.107 -5.745 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.562 -6.188 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.445 -7.526 -2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.162 -9.435 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.758 -9.680 -0.690 1.00 0.00 H new ATOM 640 N ALA A 42 -7.437 -3.320 0.287 1.00 0.00 N ATOM 641 CA ALA A 42 -7.353 -2.228 1.256 1.00 0.00 C ATOM 642 C ALA A 42 -8.000 -0.942 0.757 1.00 0.00 C ATOM 643 O ALA A 42 -7.651 -0.419 -0.306 1.00 0.00 O ATOM 644 CB ALA A 42 -5.907 -1.952 1.623 1.00 0.00 C ATOM 0 H ALA A 42 -6.534 -3.677 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.907 -2.556 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.864 -1.136 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.465 -2.847 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.351 -1.674 0.728 1.00 0.00 H new ATOM 650 N THR A 43 -8.928 -0.426 1.557 1.00 0.00 N ATOM 651 CA THR A 43 -9.624 0.815 1.249 1.00 0.00 C ATOM 652 C THR A 43 -9.390 1.821 2.374 1.00 0.00 C ATOM 653 O THR A 43 -9.545 1.487 3.549 1.00 0.00 O ATOM 654 CB THR A 43 -11.140 0.587 1.090 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.793 0.718 2.359 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.424 -0.792 0.511 1.00 0.00 C ATOM 0 H THR A 43 -9.217 -0.857 2.435 1.00 0.00 H new ATOM 0 HA THR A 43 -9.231 1.196 0.306 1.00 0.00 H new ATOM 0 HB THR A 43 -11.526 1.340 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.126 0.677 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.500 -0.929 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.952 -0.880 -0.468 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.023 -1.556 1.177 1.00 0.00 H new ATOM 664 N ASN A 44 -9.003 3.046 2.027 1.00 0.00 N ATOM 665 CA ASN A 44 -8.743 4.069 3.037 1.00 0.00 C ATOM 666 C ASN A 44 -9.565 5.328 2.778 1.00 0.00 C ATOM 667 O ASN A 44 -9.271 6.094 1.861 1.00 0.00 O ATOM 668 CB ASN A 44 -7.254 4.417 3.066 1.00 0.00 C ATOM 669 CG ASN A 44 -6.707 4.497 4.477 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.059 3.567 4.957 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.965 5.613 5.149 1.00 0.00 N ATOM 0 H ASN A 44 -8.864 3.353 1.064 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.038 3.664 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.697 3.666 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.097 5.371 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.622 5.725 6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.506 6.358 4.711 1.00 0.00 H new ATOM 678 N ARG A 45 -10.593 5.534 3.596 1.00 0.00 N ATOM 679 CA ARG A 45 -11.460 6.700 3.458 1.00 0.00 C ATOM 680 C ARG A 45 -10.869 7.909 4.179 1.00 0.00 C ATOM 681 O ARG A 45 -10.579 7.852 5.375 1.00 0.00 O ATOM 682 CB ARG A 45 -12.854 6.395 4.008 1.00 0.00 C ATOM 683 CG ARG A 45 -12.840 5.726 5.373 1.00 0.00 C ATOM 684 CD ARG A 45 -13.605 4.414 5.358 1.00 0.00 C ATOM 685 NE ARG A 45 -15.009 4.603 4.998 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.831 3.606 4.685 1.00 0.00 C ATOM 687 NH1 ARG A 45 -15.392 2.353 4.689 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.093 3.859 4.370 1.00 0.00 N ATOM 0 H ARG A 45 -10.846 4.909 4.361 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.540 6.936 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.420 7.324 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.380 5.751 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.810 5.544 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.279 6.396 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.138 3.730 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.542 3.947 6.341 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.379 5.553 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.422 2.153 4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.025 1.590 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.435 4.820 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.722 3.093 4.130 1.00 0.00 H new ATOM 702 N ASN A 46 -10.694 9.001 3.442 1.00 0.00 N ATOM 703 CA ASN A 46 -10.140 10.226 4.006 1.00 0.00 C ATOM 704 C ASN A 46 -11.239 11.243 4.286 1.00 0.00 C ATOM 705 O ASN A 46 -12.407 11.016 3.970 1.00 0.00 O ATOM 706 CB ASN A 46 -9.103 10.828 3.057 1.00 0.00 C ATOM 707 CG ASN A 46 -8.279 9.768 2.352 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.343 9.211 2.924 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.626 9.484 1.101 1.00 0.00 N ATOM 0 H ASN A 46 -10.928 9.062 2.451 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.655 9.973 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.609 11.444 2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.440 11.486 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.109 8.779 0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.410 9.971 0.666 1.00 0.00 H new ATOM 716 N THR A 47 -10.854 12.366 4.883 1.00 0.00 N ATOM 717 CA THR A 47 -11.802 13.424 5.212 1.00 0.00 C ATOM 718 C THR A 47 -12.083 14.311 4.003 1.00 0.00 C ATOM 719 O THR A 47 -13.081 15.030 3.967 1.00 0.00 O ATOM 720 CB THR A 47 -11.287 14.302 6.368 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.981 14.805 6.057 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.234 13.511 7.666 1.00 0.00 C ATOM 0 H THR A 47 -9.890 12.567 5.149 1.00 0.00 H new ATOM 0 HA THR A 47 -12.725 12.933 5.521 1.00 0.00 H new ATOM 0 HB THR A 47 -11.977 15.136 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.661 15.364 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.867 14.152 8.468 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.233 13.153 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.564 12.660 7.546 1.00 0.00 H new ATOM 730 N ASP A 48 -11.196 14.254 3.013 1.00 0.00 N ATOM 731 CA ASP A 48 -11.350 15.053 1.803 1.00 0.00 C ATOM 732 C ASP A 48 -12.468 14.500 0.923 1.00 0.00 C ATOM 733 O ASP A 48 -12.838 15.107 -0.083 1.00 0.00 O ATOM 734 CB ASP A 48 -10.038 15.091 1.021 1.00 0.00 C ATOM 735 CG ASP A 48 -9.441 13.713 0.820 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.195 12.721 0.904 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.219 13.624 0.577 1.00 0.00 O ATOM 0 H ASP A 48 -10.365 13.663 3.026 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.616 16.068 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.211 15.553 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.322 15.720 1.550 1.00 0.00 H new ATOM 742 N GLY A 49 -13.001 13.346 1.310 1.00 0.00 N ATOM 743 CA GLY A 49 -14.073 12.731 0.549 1.00 0.00 C ATOM 744 C GLY A 49 -13.594 11.580 -0.314 1.00 0.00 C ATOM 745 O GLY A 49 -14.337 10.628 -0.559 1.00 0.00 O ATOM 0 H GLY A 49 -12.710 12.825 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.839 12.370 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.541 13.484 -0.085 1.00 0.00 H new ATOM 749 N SER A 50 -12.351 11.665 -0.780 1.00 0.00 N ATOM 750 CA SER A 50 -11.782 10.618 -1.621 1.00 0.00 C ATOM 751 C SER A 50 -11.421 9.390 -0.793 1.00 0.00 C ATOM 752 O SER A 50 -11.534 9.398 0.433 1.00 0.00 O ATOM 753 CB SER A 50 -10.546 11.132 -2.364 1.00 0.00 C ATOM 754 OG SER A 50 -9.879 12.133 -1.616 1.00 0.00 O ATOM 0 H SER A 50 -11.721 12.445 -0.590 1.00 0.00 H new ATOM 0 HA SER A 50 -12.537 10.332 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.864 10.304 -2.558 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.842 11.535 -3.333 1.00 0.00 H new ATOM 0 HG SER A 50 -9.896 11.896 -0.665 1.00 0.00 H new ATOM 760 N THR A 51 -10.994 8.332 -1.475 1.00 0.00 N ATOM 761 CA THR A 51 -10.625 7.090 -0.807 1.00 0.00 C ATOM 762 C THR A 51 -9.412 6.443 -1.469 1.00 0.00 C ATOM 763 O THR A 51 -8.955 6.890 -2.519 1.00 0.00 O ATOM 764 CB THR A 51 -11.796 6.091 -0.817 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.042 6.798 -0.811 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.733 5.162 0.385 1.00 0.00 C ATOM 0 H THR A 51 -10.895 8.310 -2.490 1.00 0.00 H new ATOM 0 HA THR A 51 -10.374 7.343 0.223 1.00 0.00 H new ATOM 0 HB THR A 51 -11.720 5.490 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.782 6.156 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.572 4.467 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.798 4.603 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.784 5.749 1.302 1.00 0.00 H new ATOM 774 N ASP A 52 -8.898 5.386 -0.846 1.00 0.00 N ATOM 775 CA ASP A 52 -7.738 4.670 -1.368 1.00 0.00 C ATOM 776 C ASP A 52 -8.060 3.200 -1.565 1.00 0.00 C ATOM 777 O ASP A 52 -7.806 2.372 -0.689 1.00 0.00 O ATOM 778 CB ASP A 52 -6.549 4.827 -0.420 1.00 0.00 C ATOM 779 CG ASP A 52 -6.221 6.279 -0.138 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.035 7.045 -1.107 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.151 6.652 1.052 1.00 0.00 O ATOM 0 H ASP A 52 -9.269 5.005 0.025 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.477 5.098 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.767 4.318 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.676 4.338 -0.853 1.00 0.00 H new ATOM 786 N TYR A 53 -8.621 2.881 -2.725 1.00 0.00 N ATOM 787 CA TYR A 53 -8.976 1.509 -3.038 1.00 0.00 C ATOM 788 C TYR A 53 -7.902 0.846 -3.890 1.00 0.00 C ATOM 789 O TYR A 53 -8.023 0.788 -5.110 1.00 0.00 O ATOM 790 CB TYR A 53 -10.308 1.445 -3.790 1.00 0.00 C ATOM 791 CG TYR A 53 -11.474 2.095 -3.080 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.054 1.500 -1.967 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.007 3.293 -3.533 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.129 2.083 -1.325 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.084 3.882 -2.899 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.640 3.274 -1.795 1.00 0.00 C ATOM 797 OH TYR A 53 -14.713 3.856 -1.161 1.00 0.00 O ATOM 0 H TYR A 53 -8.838 3.554 -3.460 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.067 0.978 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.182 1.922 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.553 0.399 -3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.658 0.566 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.572 3.774 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.567 1.608 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.488 4.814 -3.267 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.949 4.691 -1.617 1.00 0.00 H new ATOM 807 N GLY A 54 -6.837 0.365 -3.267 1.00 0.00 N ATOM 808 CA GLY A 54 -5.785 -0.276 -4.036 1.00 0.00 C ATOM 809 C GLY A 54 -4.513 -0.467 -3.241 1.00 0.00 C ATOM 810 O GLY A 54 -4.340 0.146 -2.186 1.00 0.00 O ATOM 0 H GLY A 54 -6.681 0.404 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.137 -1.246 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.569 0.325 -4.920 1.00 0.00 H new ATOM 814 N ILE A 55 -3.602 -1.292 -3.755 1.00 0.00 N ATOM 815 CA ILE A 55 -2.333 -1.513 -3.081 1.00 0.00 C ATOM 816 C ILE A 55 -1.515 -0.233 -3.163 1.00 0.00 C ATOM 817 O ILE A 55 -0.744 0.092 -2.259 1.00 0.00 O ATOM 818 CB ILE A 55 -1.537 -2.684 -3.700 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.332 -3.028 -2.822 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.088 -2.336 -5.108 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.270 -4.383 -3.127 1.00 0.00 C ATOM 0 H ILE A 55 -3.720 -1.811 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.536 -1.779 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.188 -3.557 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.433 -2.262 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.636 -3.001 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.529 -3.172 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.961 -2.134 -5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.451 -1.452 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.119 -4.561 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.480 -5.158 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.605 -4.407 -4.164 1.00 0.00 H new ATOM 833 N LEU A 56 -1.736 0.514 -4.245 1.00 0.00 N ATOM 834 CA LEU A 56 -1.075 1.792 -4.448 1.00 0.00 C ATOM 835 C LEU A 56 -2.072 2.910 -4.159 1.00 0.00 C ATOM 836 O LEU A 56 -1.789 4.081 -4.391 1.00 0.00 O ATOM 837 CB LEU A 56 -0.516 1.925 -5.880 1.00 0.00 C ATOM 838 CG LEU A 56 1.015 2.094 -5.989 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.556 2.912 -4.826 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.689 0.731 -6.040 1.00 0.00 C ATOM 0 H LEU A 56 -2.373 0.249 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.227 1.861 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.807 1.041 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.992 2.781 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 56 1.237 2.632 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.636 3.017 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.094 3.899 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.326 2.407 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.768 0.862 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.454 0.175 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.328 0.179 -6.907 1.00 0.00 H new ATOM 852 N GLN A 57 -3.247 2.523 -3.635 1.00 0.00 N ATOM 853 CA GLN A 57 -4.309 3.468 -3.280 1.00 0.00 C ATOM 854 C GLN A 57 -4.988 4.071 -4.507 1.00 0.00 C ATOM 855 O GLN A 57 -4.711 5.216 -4.869 1.00 0.00 O ATOM 856 CB GLN A 57 -3.754 4.584 -2.391 1.00 0.00 C ATOM 857 CG GLN A 57 -3.204 4.087 -1.064 1.00 0.00 C ATOM 858 CD GLN A 57 -3.214 5.158 0.008 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.796 6.292 -0.225 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.693 4.803 1.196 1.00 0.00 N ATOM 0 H GLN A 57 -3.483 1.549 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.065 2.905 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.964 5.107 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.543 5.311 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.794 3.235 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.184 3.732 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.030 3.852 1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.724 5.482 1.957 1.00 0.00 H new ATOM 869 N ILE A 58 -5.877 3.310 -5.155 1.00 0.00 N ATOM 870 CA ILE A 58 -6.561 3.810 -6.327 1.00 0.00 C ATOM 871 C ILE A 58 -7.782 4.608 -5.916 1.00 0.00 C ATOM 872 O ILE A 58 -8.853 4.050 -5.672 1.00 0.00 O ATOM 873 CB ILE A 58 -6.973 2.669 -7.282 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.734 2.059 -7.939 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.940 3.178 -8.343 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.971 1.116 -7.037 1.00 0.00 C ATOM 0 H ILE A 58 -6.130 2.360 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.866 4.457 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.479 1.898 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.037 1.522 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.069 2.862 -8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.218 2.358 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.834 3.574 -7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.461 3.967 -8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.106 0.722 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.637 1.653 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.620 0.292 -6.740 1.00 0.00 H new ATOM 888 N ASN A 59 -7.614 5.921 -5.843 1.00 0.00 N ATOM 889 CA ASN A 59 -8.706 6.797 -5.471 1.00 0.00 C ATOM 890 C ASN A 59 -9.821 6.663 -6.490 1.00 0.00 C ATOM 891 O ASN A 59 -9.734 7.212 -7.589 1.00 0.00 O ATOM 892 CB ASN A 59 -8.224 8.246 -5.404 1.00 0.00 C ATOM 893 CG ASN A 59 -9.335 9.213 -5.043 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.399 8.808 -4.573 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.092 10.500 -5.259 1.00 0.00 N ATOM 0 H ASN A 59 -6.733 6.398 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.078 6.513 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.424 8.326 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.800 8.529 -6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.801 11.198 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.196 10.791 -5.650 1.00 0.00 H new ATOM 902 N SER A 60 -10.868 5.932 -6.134 1.00 0.00 N ATOM 903 CA SER A 60 -11.996 5.733 -7.038 1.00 0.00 C ATOM 904 C SER A 60 -12.750 7.034 -7.302 1.00 0.00 C ATOM 905 O SER A 60 -13.437 7.161 -8.313 1.00 0.00 O ATOM 906 CB SER A 60 -12.958 4.699 -6.450 1.00 0.00 C ATOM 907 OG SER A 60 -13.870 5.303 -5.551 1.00 0.00 O ATOM 0 H SER A 60 -10.962 5.468 -5.230 1.00 0.00 H new ATOM 0 HA SER A 60 -11.597 5.376 -7.987 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.506 4.209 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.392 3.924 -5.933 1.00 0.00 H new ATOM 0 HG SER A 60 -14.366 4.607 -5.072 1.00 0.00 H new ATOM 913 N ARG A 61 -12.631 7.998 -6.394 1.00 0.00 N ATOM 914 CA ARG A 61 -13.320 9.275 -6.553 1.00 0.00 C ATOM 915 C ARG A 61 -12.516 10.222 -7.436 1.00 0.00 C ATOM 916 O ARG A 61 -12.724 11.436 -7.412 1.00 0.00 O ATOM 917 CB ARG A 61 -13.568 9.918 -5.188 1.00 0.00 C ATOM 918 CG ARG A 61 -14.799 10.809 -5.149 1.00 0.00 C ATOM 919 CD ARG A 61 -14.750 11.775 -3.976 1.00 0.00 C ATOM 920 NE ARG A 61 -15.544 12.976 -4.224 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.115 14.009 -4.943 1.00 0.00 C ATOM 922 NH1 ARG A 61 -13.905 13.987 -5.485 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.898 15.064 -5.123 1.00 0.00 N ATOM 0 H ARG A 61 -12.069 7.921 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.278 9.084 -7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.675 9.133 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.694 10.507 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.873 11.370 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.694 10.192 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.118 11.276 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.715 12.058 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.481 13.025 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.301 13.176 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.579 14.781 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.830 15.084 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.568 15.856 -5.675 1.00 0.00 H new ATOM 937 N TRP A 62 -11.597 9.661 -8.214 1.00 0.00 N ATOM 938 CA TRP A 62 -10.767 10.468 -9.103 1.00 0.00 C ATOM 939 C TRP A 62 -10.125 9.645 -10.223 1.00 0.00 C ATOM 940 O TRP A 62 -9.414 10.200 -11.060 1.00 0.00 O ATOM 941 CB TRP A 62 -9.678 11.178 -8.298 1.00 0.00 C ATOM 942 CG TRP A 62 -9.413 12.578 -8.762 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.577 12.964 -9.769 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.988 13.779 -8.233 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.597 14.332 -9.901 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.455 14.855 -8.969 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.901 14.049 -7.211 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.807 16.178 -8.714 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.249 15.363 -6.958 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.703 16.413 -7.707 1.00 0.00 C ATOM 0 H TRP A 62 -11.408 8.659 -8.248 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.424 11.199 -9.575 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.969 11.200 -7.248 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.755 10.601 -8.361 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.986 12.293 -10.374 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.061 14.870 -10.582 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.328 13.246 -6.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.388 16.989 -9.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.954 15.583 -6.170 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.995 17.429 -7.485 1.00 0.00 H new ATOM 961 N TRP A 63 -10.351 8.330 -10.242 1.00 0.00 N ATOM 962 CA TRP A 63 -9.756 7.484 -11.272 1.00 0.00 C ATOM 963 C TRP A 63 -10.757 6.496 -11.857 1.00 0.00 C ATOM 964 O TRP A 63 -11.025 6.508 -13.059 1.00 0.00 O ATOM 965 CB TRP A 63 -8.558 6.721 -10.697 1.00 0.00 C ATOM 966 CG TRP A 63 -7.419 7.619 -10.324 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.758 7.682 -9.129 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.819 8.594 -11.167 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.774 8.643 -9.191 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.796 9.218 -10.436 1.00 0.00 C ATOM 971 CE3 TRP A 63 -7.057 8.993 -12.476 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.007 10.229 -10.982 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.286 9.990 -13.019 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.268 10.604 -12.275 1.00 0.00 C ATOM 0 H TRP A 63 -10.933 7.836 -9.566 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.429 8.140 -12.078 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.878 6.163 -9.817 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.213 5.991 -11.429 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.975 7.070 -8.266 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.134 8.887 -8.435 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.837 8.525 -13.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.221 10.699 -10.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.466 10.307 -14.036 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.679 11.387 -12.729 1.00 0.00 H new ATOM 985 N CYS A 64 -11.276 5.619 -11.010 1.00 0.00 N ATOM 986 CA CYS A 64 -12.215 4.602 -11.466 1.00 0.00 C ATOM 987 C CYS A 64 -13.664 4.986 -11.218 1.00 0.00 C ATOM 988 O CYS A 64 -13.972 5.832 -10.382 1.00 0.00 O ATOM 989 CB CYS A 64 -11.917 3.256 -10.801 1.00 0.00 C ATOM 990 SG CYS A 64 -12.677 3.038 -9.159 1.00 0.00 S ATOM 0 H CYS A 64 -11.066 5.590 -10.012 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.079 4.518 -12.544 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.263 2.457 -11.456 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.837 3.144 -10.705 1.00 0.00 H new ATOM 995 N ASN A 65 -14.547 4.331 -11.963 1.00 0.00 N ATOM 996 CA ASN A 65 -15.981 4.565 -11.847 1.00 0.00 C ATOM 997 C ASN A 65 -16.644 3.438 -11.061 1.00 0.00 C ATOM 998 O ASN A 65 -16.679 2.293 -11.512 1.00 0.00 O ATOM 999 CB ASN A 65 -16.618 4.678 -13.233 1.00 0.00 C ATOM 1000 CG ASN A 65 -18.128 4.778 -13.170 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.678 5.631 -12.472 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.810 3.903 -13.901 1.00 0.00 N ATOM 0 H ASN A 65 -14.292 3.629 -12.658 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.132 5.503 -11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.220 5.556 -13.742 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.339 3.809 -13.830 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.830 3.921 -13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.314 3.213 -14.465 1.00 0.00 H new ATOM 1009 N ASP A 66 -17.164 3.768 -9.884 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.820 2.777 -9.037 1.00 0.00 C ATOM 1011 C ASP A 66 -19.339 2.901 -9.118 1.00 0.00 C ATOM 1012 O ASP A 66 -20.066 1.996 -8.709 1.00 0.00 O ATOM 1013 CB ASP A 66 -17.359 2.932 -7.586 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.897 4.193 -6.938 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.894 5.250 -7.602 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.319 4.123 -5.765 1.00 0.00 O ATOM 0 H ASP A 66 -17.145 4.711 -9.495 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.539 1.788 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.683 2.065 -7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.270 2.947 -7.554 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.813 4.023 -9.654 1.00 0.00 N ATOM 1022 CA GLY A 67 -21.243 4.237 -9.784 1.00 0.00 C ATOM 1023 C GLY A 67 -21.912 4.572 -8.464 1.00 0.00 C ATOM 1024 O GLY A 67 -23.088 4.932 -8.434 1.00 0.00 O ATOM 0 H GLY A 67 -19.232 4.787 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.421 5.047 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.703 3.341 -10.202 1.00 0.00 H new ATOM 1028 N ARG A 68 -21.164 4.453 -7.370 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.700 4.745 -6.045 1.00 0.00 C ATOM 1030 C ARG A 68 -21.160 6.069 -5.513 1.00 0.00 C ATOM 1031 O ARG A 68 -21.540 6.513 -4.430 1.00 0.00 O ATOM 1032 CB ARG A 68 -21.355 3.614 -5.073 1.00 0.00 C ATOM 1033 CG ARG A 68 -22.575 2.893 -4.523 1.00 0.00 C ATOM 1034 CD ARG A 68 -22.477 2.707 -3.017 1.00 0.00 C ATOM 1035 NE ARG A 68 -23.438 1.724 -2.524 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.283 1.043 -1.392 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.209 1.238 -0.639 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.202 0.166 -1.013 1.00 0.00 N ATOM 0 H ARG A 68 -20.188 4.157 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.784 4.827 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.715 2.892 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.779 4.023 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -23.474 3.461 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.673 1.921 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.467 2.390 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.649 3.663 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 68 -24.276 1.550 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.499 1.912 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.093 0.714 0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.029 0.013 -1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.082 -0.356 -0.145 1.00 0.00 H new ATOM 1052 N THR A 69 -20.273 6.694 -6.281 1.00 0.00 N ATOM 1053 CA THR A 69 -19.683 7.968 -5.883 1.00 0.00 C ATOM 1054 C THR A 69 -19.674 8.960 -7.044 1.00 0.00 C ATOM 1055 O THR A 69 -18.740 8.981 -7.845 1.00 0.00 O ATOM 1056 CB THR A 69 -18.243 7.784 -5.370 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.150 6.584 -4.591 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.813 8.975 -4.526 1.00 0.00 C ATOM 0 H THR A 69 -19.947 6.340 -7.181 1.00 0.00 H new ATOM 0 HA THR A 69 -20.301 8.363 -5.077 1.00 0.00 H new ATOM 0 HB THR A 69 -17.580 7.711 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.281 5.806 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.793 8.822 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.858 9.883 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.480 9.074 -3.670 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.720 9.799 -7.149 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.829 10.799 -8.219 1.00 0.00 C ATOM 1068 C PRO A 70 -19.659 11.778 -8.216 1.00 0.00 C ATOM 1069 O PRO A 70 -18.913 11.865 -7.240 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.138 11.532 -7.904 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.904 10.600 -7.030 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.878 9.842 -6.239 1.00 0.00 C ATOM 0 HA PRO A 70 -20.816 10.336 -9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -21.948 12.479 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.690 11.762 -8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.579 11.147 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.518 9.923 -7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.637 10.346 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.226 8.842 -5.981 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.506 12.513 -9.313 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.427 13.477 -9.416 1.00 0.00 C ATOM 1082 C GLY A 71 -17.081 12.819 -9.645 1.00 0.00 C ATOM 1083 O GLY A 71 -16.056 13.496 -9.728 1.00 0.00 O ATOM 0 H GLY A 71 -20.111 12.458 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.636 14.165 -10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.387 14.071 -8.503 1.00 0.00 H new ATOM 1087 N SER A 72 -17.084 11.493 -9.749 1.00 0.00 N ATOM 1088 CA SER A 72 -15.856 10.739 -9.969 1.00 0.00 C ATOM 1089 C SER A 72 -15.231 11.096 -11.314 1.00 0.00 C ATOM 1090 O SER A 72 -15.888 11.027 -12.354 1.00 0.00 O ATOM 1091 CB SER A 72 -16.140 9.237 -9.910 1.00 0.00 C ATOM 1092 OG SER A 72 -15.929 8.728 -8.605 1.00 0.00 O ATOM 0 H SER A 72 -17.925 10.919 -9.684 1.00 0.00 H new ATOM 0 HA SER A 72 -15.151 11.002 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.169 9.046 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.495 8.714 -10.616 1.00 0.00 H new ATOM 0 HG SER A 72 -16.779 8.714 -8.118 1.00 0.00 H new ATOM 1098 N ARG A 73 -13.958 11.474 -11.283 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.237 11.840 -12.498 1.00 0.00 C ATOM 1100 C ARG A 73 -13.307 10.712 -13.523 1.00 0.00 C ATOM 1101 O ARG A 73 -13.435 10.955 -14.723 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.777 12.162 -12.174 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.271 13.429 -12.843 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.681 14.671 -12.069 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.505 15.570 -12.874 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.011 16.413 -13.776 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -10.703 16.472 -13.988 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.826 17.197 -14.469 1.00 0.00 N ATOM 0 H ARG A 73 -13.403 11.535 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.708 12.727 -12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.667 12.262 -11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.152 11.324 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.185 13.391 -12.922 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.663 13.486 -13.859 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.232 14.376 -11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.789 15.200 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.515 15.550 -12.736 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.073 15.870 -13.458 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.327 17.120 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.833 17.154 -14.310 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.446 17.843 -15.161 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.234 9.479 -13.031 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.299 8.295 -13.888 1.00 0.00 C ATOM 1124 C ASN A 74 -12.290 8.409 -15.013 1.00 0.00 C ATOM 1125 O ASN A 74 -12.465 7.837 -16.089 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.709 8.121 -14.455 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.903 6.776 -15.127 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -14.150 5.832 -14.884 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -15.917 6.681 -15.980 1.00 0.00 N ATOM 0 H ASN A 74 -13.129 9.271 -12.038 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.058 7.418 -13.288 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.436 8.230 -13.651 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.908 8.915 -15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.096 5.801 -16.463 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.516 7.488 -16.152 1.00 0.00 H new ATOM 1136 N LEU A 75 -11.223 9.141 -14.740 1.00 0.00 N ATOM 1137 CA LEU A 75 -10.161 9.335 -15.691 1.00 0.00 C ATOM 1138 C LEU A 75 -9.658 8.000 -16.175 1.00 0.00 C ATOM 1139 O LEU A 75 -9.976 7.544 -17.274 1.00 0.00 O ATOM 1140 CB LEU A 75 -9.042 10.077 -14.985 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.139 11.599 -15.085 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.958 12.273 -14.408 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.244 12.040 -16.539 1.00 0.00 C ATOM 0 H LEU A 75 -11.076 9.615 -13.849 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.517 9.903 -16.551 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.040 9.793 -13.933 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.088 9.757 -15.404 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.046 11.907 -14.564 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.057 13.355 -14.497 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.936 11.996 -13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.033 11.953 -14.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.312 13.127 -16.586 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.361 11.708 -17.085 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.135 11.601 -16.989 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.872 7.395 -15.313 1.00 0.00 N ATOM 1156 CA CYS A 76 -8.276 6.101 -15.535 1.00 0.00 C ATOM 1157 C CYS A 76 -9.224 5.146 -16.260 1.00 0.00 C ATOM 1158 O CYS A 76 -8.779 4.206 -16.920 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.930 5.544 -14.172 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.313 4.717 -14.045 1.00 0.00 S ATOM 0 H CYS A 76 -8.624 7.804 -14.412 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.396 6.205 -16.170 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.959 6.359 -13.449 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.705 4.834 -13.883 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.533 5.390 -16.134 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.533 4.543 -16.774 1.00 0.00 C ATOM 1167 C ASN A 77 -11.228 3.084 -16.481 1.00 0.00 C ATOM 1168 O ASN A 77 -10.965 2.296 -17.390 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.556 4.788 -18.285 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.853 4.334 -18.924 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.861 3.445 -19.776 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -13.960 4.945 -18.516 1.00 0.00 N ATOM 0 H ASN A 77 -10.919 6.166 -15.596 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.516 4.791 -16.373 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.410 5.850 -18.480 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.722 4.261 -18.749 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.863 4.682 -18.911 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.907 5.677 -17.807 1.00 0.00 H new ATOM 1179 N ILE A 78 -11.228 2.740 -15.199 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.911 1.385 -14.784 1.00 0.00 C ATOM 1181 C ILE A 78 -11.999 0.765 -13.911 1.00 0.00 C ATOM 1182 O ILE A 78 -12.655 1.459 -13.135 1.00 0.00 O ATOM 1183 CB ILE A 78 -9.577 1.351 -14.013 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.819 1.461 -12.499 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.685 2.474 -14.499 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.729 2.193 -11.740 1.00 0.00 C ATOM 0 H ILE A 78 -11.443 3.379 -14.434 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.835 0.798 -15.699 1.00 0.00 H new ATOM 0 HB ILE A 78 -9.082 0.398 -14.200 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.767 1.972 -12.331 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.921 0.457 -12.086 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.741 2.451 -13.954 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.492 2.350 -15.565 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.179 3.431 -14.329 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.981 2.224 -10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.781 1.672 -11.872 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.640 3.210 -12.121 1.00 0.00 H new ATOM 1198 N PRO A 79 -12.174 -0.566 -13.995 1.00 0.00 N ATOM 1199 CA PRO A 79 -13.147 -1.276 -13.173 1.00 0.00 C ATOM 1200 C PRO A 79 -12.620 -1.401 -11.748 1.00 0.00 C ATOM 1201 O PRO A 79 -11.647 -2.110 -11.498 1.00 0.00 O ATOM 1202 CB PRO A 79 -13.254 -2.643 -13.846 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.931 -2.848 -14.505 1.00 0.00 C ATOM 1204 CD PRO A 79 -11.410 -1.481 -14.866 1.00 0.00 C ATOM 0 HA PRO A 79 -14.112 -0.774 -13.102 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.459 -3.428 -13.118 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.066 -2.663 -14.573 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.241 -3.361 -13.835 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.034 -3.470 -15.394 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.338 -1.402 -14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.573 -1.257 -15.920 1.00 0.00 H new ATOM 1212 N CYS A 80 -13.240 -0.678 -10.828 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.809 -0.670 -9.434 1.00 0.00 C ATOM 1214 C CYS A 80 -12.755 -2.071 -8.822 1.00 0.00 C ATOM 1215 O CYS A 80 -11.731 -2.470 -8.274 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.731 0.233 -8.616 1.00 0.00 C ATOM 1217 SG CYS A 80 -14.223 1.759 -9.486 1.00 0.00 S ATOM 0 H CYS A 80 -14.048 -0.086 -11.021 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.791 -0.281 -9.410 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.627 -0.326 -8.347 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.231 0.501 -7.685 1.00 0.00 H new ATOM 1222 N SER A 81 -13.859 -2.806 -8.898 1.00 0.00 N ATOM 1223 CA SER A 81 -13.922 -4.151 -8.322 1.00 0.00 C ATOM 1224 C SER A 81 -13.009 -5.138 -9.051 1.00 0.00 C ATOM 1225 O SER A 81 -12.662 -6.184 -8.502 1.00 0.00 O ATOM 1226 CB SER A 81 -15.361 -4.665 -8.343 1.00 0.00 C ATOM 1227 OG SER A 81 -15.922 -4.561 -9.640 1.00 0.00 O ATOM 0 H SER A 81 -14.720 -2.498 -9.350 1.00 0.00 H new ATOM 0 HA SER A 81 -13.571 -4.077 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.384 -5.705 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.964 -4.095 -7.636 1.00 0.00 H new ATOM 0 HG SER A 81 -16.842 -4.898 -9.626 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.623 -4.815 -10.280 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.755 -5.696 -11.058 1.00 0.00 C ATOM 1235 C ALA A 82 -10.282 -5.356 -10.842 1.00 0.00 C ATOM 1236 O ALA A 82 -9.409 -6.212 -10.985 1.00 0.00 O ATOM 1237 CB ALA A 82 -12.106 -5.617 -12.535 1.00 0.00 C ATOM 0 H ALA A 82 -12.894 -3.956 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.917 -6.717 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.450 -6.279 -13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.142 -5.922 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.977 -4.593 -12.885 1.00 0.00 H new ATOM 1243 N LEU A 83 -10.019 -4.102 -10.499 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.654 -3.648 -10.265 1.00 0.00 C ATOM 1245 C LEU A 83 -8.219 -3.936 -8.833 1.00 0.00 C ATOM 1246 O LEU A 83 -7.091 -3.638 -8.442 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.529 -2.154 -10.561 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.747 -1.738 -12.023 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.566 -0.917 -12.517 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.964 -2.943 -12.931 1.00 0.00 C ATOM 0 H LEU A 83 -10.731 -3.382 -10.377 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.998 -4.198 -10.940 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.248 -1.619 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.536 -1.825 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.651 -1.130 -12.060 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.732 -0.628 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.463 -0.022 -11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.655 -1.512 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.114 -2.604 -13.956 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.090 -3.593 -12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.843 -3.495 -12.599 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.127 -4.515 -8.057 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.847 -4.844 -6.666 1.00 0.00 C ATOM 1264 C LEU A 84 -8.598 -6.334 -6.502 1.00 0.00 C ATOM 1265 O LEU A 84 -8.486 -6.842 -5.387 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.007 -4.386 -5.790 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.243 -2.882 -5.827 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.517 -2.518 -5.085 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.047 -2.140 -5.247 1.00 0.00 C ATOM 0 H LEU A 84 -10.065 -4.767 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.942 -4.323 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.916 -4.896 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.816 -4.690 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.361 -2.579 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.665 -1.439 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.365 -3.018 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.436 -2.835 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.233 -1.067 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.894 -2.449 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.156 -2.373 -5.831 1.00 0.00 H new ATOM 1281 N SER A 85 -8.506 -7.021 -7.631 1.00 0.00 N ATOM 1282 CA SER A 85 -8.258 -8.459 -7.648 1.00 0.00 C ATOM 1283 C SER A 85 -6.958 -8.800 -6.930 1.00 0.00 C ATOM 1284 O SER A 85 -6.306 -7.934 -6.346 1.00 0.00 O ATOM 1285 CB SER A 85 -8.204 -8.969 -9.089 1.00 0.00 C ATOM 1286 OG SER A 85 -9.151 -10.002 -9.301 1.00 0.00 O ATOM 0 H SER A 85 -8.600 -6.603 -8.557 1.00 0.00 H new ATOM 0 HA SER A 85 -9.079 -8.948 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.399 -8.146 -9.777 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.203 -9.339 -9.310 1.00 0.00 H new ATOM 0 HG SER A 85 -9.097 -10.309 -10.230 1.00 0.00 H new ATOM 1292 N SER A 86 -6.589 -10.070 -6.986 1.00 0.00 N ATOM 1293 CA SER A 86 -5.365 -10.544 -6.352 1.00 0.00 C ATOM 1294 C SER A 86 -4.156 -10.139 -7.180 1.00 0.00 C ATOM 1295 O SER A 86 -3.015 -10.403 -6.809 1.00 0.00 O ATOM 1296 CB SER A 86 -5.403 -12.064 -6.185 1.00 0.00 C ATOM 1297 OG SER A 86 -4.347 -12.512 -5.353 1.00 0.00 O ATOM 0 H SER A 86 -7.121 -10.796 -7.466 1.00 0.00 H new ATOM 0 HA SER A 86 -5.286 -10.088 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.360 -12.362 -5.756 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.329 -12.542 -7.162 1.00 0.00 H new ATOM 0 HG SER A 86 -3.518 -12.052 -5.600 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.430 -9.513 -8.317 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.388 -9.073 -9.233 1.00 0.00 C ATOM 1305 C ASP A 87 -3.151 -7.567 -9.112 1.00 0.00 C ATOM 1306 O ASP A 87 -4.098 -6.781 -9.115 1.00 0.00 O ATOM 1307 CB ASP A 87 -3.792 -9.435 -10.659 1.00 0.00 C ATOM 1308 CG ASP A 87 -2.734 -9.065 -11.681 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -1.563 -8.881 -11.286 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.076 -8.962 -12.877 1.00 0.00 O ATOM 0 H ASP A 87 -5.377 -9.297 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.455 -9.576 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.987 -10.506 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.724 -8.928 -10.908 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.883 -7.171 -9.002 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.534 -5.756 -8.876 1.00 0.00 C ATOM 1317 C ILE A 88 -1.413 -5.083 -10.234 1.00 0.00 C ATOM 1318 O ILE A 88 -1.226 -3.872 -10.311 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.211 -5.536 -8.116 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.735 -6.720 -8.318 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.474 -5.297 -6.640 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.193 -6.322 -8.356 1.00 0.00 C ATOM 0 H ILE A 88 -1.085 -7.806 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.351 -5.310 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 88 0.272 -4.647 -8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.583 -7.439 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.479 -7.225 -9.249 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.473 -5.144 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.100 -4.413 -6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.984 -6.162 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.809 -7.210 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.359 -5.626 -9.178 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.464 -5.843 -7.415 1.00 0.00 H new ATOM 1334 N THR A 89 -1.513 -5.862 -11.305 1.00 0.00 N ATOM 1335 CA THR A 89 -1.406 -5.310 -12.649 1.00 0.00 C ATOM 1336 C THR A 89 -2.348 -4.127 -12.819 1.00 0.00 C ATOM 1337 O THR A 89 -1.967 -3.088 -13.359 1.00 0.00 O ATOM 1338 CB THR A 89 -1.723 -6.368 -13.723 1.00 0.00 C ATOM 1339 OG1 THR A 89 -0.879 -7.511 -13.549 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.529 -5.797 -15.120 1.00 0.00 C ATOM 0 H THR A 89 -1.667 -6.870 -11.269 1.00 0.00 H new ATOM 0 HA THR A 89 -0.376 -4.979 -12.779 1.00 0.00 H new ATOM 0 HB THR A 89 -2.766 -6.666 -13.611 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.051 -7.219 -13.447 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.759 -6.563 -15.861 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.194 -4.945 -15.260 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.495 -5.474 -15.241 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.583 -4.298 -12.366 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.593 -3.271 -12.469 1.00 0.00 C ATOM 1350 C ALA A 90 -4.302 -2.072 -11.564 1.00 0.00 C ATOM 1351 O ALA A 90 -4.270 -0.932 -12.025 1.00 0.00 O ATOM 1352 CB ALA A 90 -5.951 -3.860 -12.143 1.00 0.00 C ATOM 0 H ALA A 90 -3.906 -5.155 -11.918 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.586 -2.902 -13.494 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.712 -3.084 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.178 -4.663 -12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.941 -4.258 -11.128 1.00 0.00 H new ATOM 1358 N SER A 91 -4.088 -2.337 -10.275 1.00 0.00 N ATOM 1359 CA SER A 91 -3.799 -1.276 -9.312 1.00 0.00 C ATOM 1360 C SER A 91 -2.539 -0.519 -9.700 1.00 0.00 C ATOM 1361 O SER A 91 -2.390 0.666 -9.396 1.00 0.00 O ATOM 1362 CB SER A 91 -3.638 -1.861 -7.908 1.00 0.00 C ATOM 1363 OG SER A 91 -4.562 -2.911 -7.682 1.00 0.00 O ATOM 0 H SER A 91 -4.109 -3.275 -9.875 1.00 0.00 H new ATOM 0 HA SER A 91 -4.638 -0.580 -9.316 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.622 -2.234 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.785 -1.077 -7.165 1.00 0.00 H new ATOM 0 HG SER A 91 -5.400 -2.715 -8.150 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.637 -1.210 -10.379 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.396 -0.589 -10.804 1.00 0.00 C ATOM 1371 C VAL A 92 -0.565 0.123 -12.129 1.00 0.00 C ATOM 1372 O VAL A 92 0.108 1.111 -12.381 1.00 0.00 O ATOM 1373 CB VAL A 92 0.773 -1.588 -10.905 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.997 -0.916 -11.523 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.106 -2.160 -9.535 1.00 0.00 C ATOM 0 H VAL A 92 -1.740 -2.189 -10.644 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.147 0.136 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 92 0.471 -2.411 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.813 -1.635 -11.587 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.750 -0.558 -12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.303 -0.075 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.934 -2.863 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.390 -1.351 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.234 -2.676 -9.134 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.461 -0.361 -12.976 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.687 0.273 -14.244 1.00 0.00 C ATOM 1387 C ASN A 93 -2.182 1.693 -14.023 1.00 0.00 C ATOM 1388 O ASN A 93 -1.660 2.654 -14.594 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.681 -0.535 -15.058 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.823 0.299 -15.608 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.901 0.363 -15.018 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.590 0.942 -16.747 1.00 0.00 N ATOM 0 H ASN A 93 -2.035 -1.186 -12.800 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.752 0.318 -14.803 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.158 -1.014 -15.886 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.089 -1.331 -14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.320 1.517 -17.166 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.681 0.860 -17.202 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.183 1.812 -13.161 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.744 3.106 -12.830 1.00 0.00 C ATOM 1401 C CYS A 94 -2.699 3.965 -12.133 1.00 0.00 C ATOM 1402 O CYS A 94 -2.528 5.134 -12.476 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.981 2.956 -11.948 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.128 4.368 -12.051 1.00 0.00 S ATOM 0 H CYS A 94 -3.620 1.026 -12.681 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.046 3.596 -13.756 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.511 2.047 -12.232 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.665 2.830 -10.912 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.990 3.387 -11.159 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.965 4.142 -10.451 1.00 0.00 C ATOM 1411 C ALA A 95 0.173 4.472 -11.394 1.00 0.00 C ATOM 1412 O ALA A 95 0.782 5.528 -11.289 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.459 3.401 -9.239 1.00 0.00 C ATOM 0 H ALA A 95 -2.106 2.421 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.414 5.069 -10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.304 3.998 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.286 3.220 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.029 2.448 -9.548 1.00 0.00 H new ATOM 1419 N LYS A 96 0.440 3.573 -12.337 1.00 0.00 N ATOM 1420 CA LYS A 96 1.486 3.808 -13.318 1.00 0.00 C ATOM 1421 C LYS A 96 1.218 5.170 -13.938 1.00 0.00 C ATOM 1422 O LYS A 96 2.121 5.975 -14.180 1.00 0.00 O ATOM 1423 CB LYS A 96 1.472 2.724 -14.400 1.00 0.00 C ATOM 1424 CG LYS A 96 2.434 1.579 -14.130 1.00 0.00 C ATOM 1425 CD LYS A 96 2.334 0.503 -15.200 1.00 0.00 C ATOM 1426 CE LYS A 96 3.672 -0.184 -15.424 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.788 -0.735 -16.803 1.00 0.00 N ATOM 0 H LYS A 96 -0.050 2.684 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 96 2.466 3.779 -12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.462 2.325 -14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.721 3.177 -15.359 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.454 1.961 -14.091 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.219 1.144 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.589 -0.236 -14.906 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.991 0.948 -16.134 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.479 0.527 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.793 -0.989 -14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.714 -1.195 -16.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.033 -1.432 -16.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.698 0.037 -17.494 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.074 5.418 -14.131 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.554 6.681 -14.666 1.00 0.00 C ATOM 1443 C LYS A 97 -0.550 7.735 -13.565 1.00 0.00 C ATOM 1444 O LYS A 97 -0.270 8.910 -13.814 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.963 6.522 -15.241 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.983 6.285 -16.742 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.385 6.435 -17.310 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.899 5.122 -17.879 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.369 5.155 -18.114 1.00 0.00 N ATOM 0 H LYS A 97 -0.814 4.748 -13.920 1.00 0.00 H new ATOM 0 HA LYS A 97 0.108 6.998 -15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.458 5.688 -14.743 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.542 7.417 -15.015 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.313 6.991 -17.232 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.606 5.285 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.060 6.783 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.383 7.195 -18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.386 4.908 -18.817 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.660 4.310 -17.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.641 4.359 -18.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.868 5.079 -17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.627 6.050 -18.576 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.843 7.300 -12.338 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.855 8.203 -11.196 1.00 0.00 C ATOM 1465 C ILE A 98 0.516 8.843 -11.021 1.00 0.00 C ATOM 1466 O ILE A 98 0.639 10.059 -10.901 1.00 0.00 O ATOM 1467 CB ILE A 98 -1.264 7.487 -9.894 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.729 7.042 -9.975 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -1.054 8.406 -8.699 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -3.174 6.191 -8.805 1.00 0.00 C ATOM 0 H ILE A 98 -1.074 6.332 -12.115 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.600 8.973 -11.399 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.638 6.604 -9.766 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.365 7.925 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.878 6.481 -10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.347 7.888 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.003 8.686 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.662 9.303 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.221 5.915 -8.933 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.564 5.289 -8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.058 6.755 -7.880 1.00 0.00 H new ATOM 1482 N VAL A 99 1.537 7.999 -11.008 1.00 0.00 N ATOM 1483 CA VAL A 99 2.915 8.439 -10.853 1.00 0.00 C ATOM 1484 C VAL A 99 3.422 9.127 -12.117 1.00 0.00 C ATOM 1485 O VAL A 99 4.361 9.922 -12.062 1.00 0.00 O ATOM 1486 CB VAL A 99 3.838 7.253 -10.522 1.00 0.00 C ATOM 1487 CG1 VAL A 99 3.925 6.298 -11.702 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.220 7.746 -10.122 1.00 0.00 C ATOM 0 H VAL A 99 1.433 6.989 -11.105 1.00 0.00 H new ATOM 0 HA VAL A 99 2.932 9.152 -10.028 1.00 0.00 H new ATOM 0 HB VAL A 99 3.413 6.711 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.582 5.466 -11.449 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.931 5.917 -11.936 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.325 6.825 -12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.858 6.893 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.656 8.314 -10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.138 8.385 -9.243 1.00 0.00 H new ATOM 1498 N SER A 100 2.795 8.828 -13.253 1.00 0.00 N ATOM 1499 CA SER A 100 3.192 9.434 -14.519 1.00 0.00 C ATOM 1500 C SER A 100 2.517 10.789 -14.710 1.00 0.00 C ATOM 1501 O SER A 100 2.847 11.534 -15.634 1.00 0.00 O ATOM 1502 CB SER A 100 2.841 8.509 -15.685 1.00 0.00 C ATOM 1503 OG SER A 100 3.930 7.661 -16.009 1.00 0.00 O ATOM 0 H SER A 100 2.015 8.174 -13.322 1.00 0.00 H new ATOM 0 HA SER A 100 4.271 9.585 -14.496 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.971 7.906 -15.426 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.568 9.104 -16.556 1.00 0.00 H new ATOM 0 HG SER A 100 3.802 6.788 -15.583 1.00 0.00 H new ATOM 1509 N ASP A 101 1.565 11.101 -13.835 1.00 0.00 N ATOM 1510 CA ASP A 101 0.841 12.366 -13.915 1.00 0.00 C ATOM 1511 C ASP A 101 0.824 13.091 -12.571 1.00 0.00 C ATOM 1512 O ASP A 101 0.387 14.238 -12.483 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.591 12.125 -14.392 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.720 12.204 -15.901 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.126 11.350 -16.593 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.413 13.119 -16.391 1.00 0.00 O ATOM 0 H ASP A 101 1.278 10.497 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 101 1.362 12.999 -14.633 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.924 11.144 -14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.252 12.861 -13.935 1.00 0.00 H new ATOM 1521 N GLY A 102 1.288 12.416 -11.523 1.00 0.00 N ATOM 1522 CA GLY A 102 1.299 13.017 -10.200 1.00 0.00 C ATOM 1523 C GLY A 102 2.681 13.455 -9.758 1.00 0.00 C ATOM 1524 O GLY A 102 3.411 14.095 -10.516 1.00 0.00 O ATOM 0 H GLY A 102 1.656 11.466 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.632 13.879 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.903 12.302 -9.479 1.00 0.00 H new ATOM 1528 N ASN A 103 3.040 13.117 -8.520 1.00 0.00 N ATOM 1529 CA ASN A 103 4.340 13.489 -7.973 1.00 0.00 C ATOM 1530 C ASN A 103 5.073 12.279 -7.395 1.00 0.00 C ATOM 1531 O ASN A 103 5.369 12.234 -6.202 1.00 0.00 O ATOM 1532 CB ASN A 103 4.172 14.560 -6.893 1.00 0.00 C ATOM 1533 CG ASN A 103 5.054 15.769 -7.135 1.00 0.00 C ATOM 1534 OD1 ASN A 103 6.252 15.744 -6.854 1.00 0.00 O ATOM 1535 ND2 ASN A 103 4.465 16.837 -7.662 1.00 0.00 N ATOM 0 H ASN A 103 2.449 12.587 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 103 4.941 13.889 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.129 14.876 -6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.408 14.130 -5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 103 5.009 17.679 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.469 16.815 -7.880 1.00 0.00 H new ATOM 1542 N GLY A 104 5.376 11.312 -8.254 1.00 0.00 N ATOM 1543 CA GLY A 104 6.090 10.120 -7.830 1.00 0.00 C ATOM 1544 C GLY A 104 5.523 9.479 -6.576 1.00 0.00 C ATOM 1545 O GLY A 104 4.312 9.317 -6.442 1.00 0.00 O ATOM 0 H GLY A 104 5.138 11.333 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.072 9.390 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.135 10.377 -7.655 1.00 0.00 H new ATOM 1549 N MET A 105 6.416 9.118 -5.658 1.00 0.00 N ATOM 1550 CA MET A 105 6.039 8.486 -4.400 1.00 0.00 C ATOM 1551 C MET A 105 5.668 9.538 -3.374 1.00 0.00 C ATOM 1552 O MET A 105 5.510 9.239 -2.190 1.00 0.00 O ATOM 1553 CB MET A 105 7.207 7.661 -3.856 1.00 0.00 C ATOM 1554 CG MET A 105 8.128 7.120 -4.935 1.00 0.00 C ATOM 1555 SD MET A 105 7.274 6.054 -6.108 1.00 0.00 S ATOM 1556 CE MET A 105 6.254 5.107 -4.987 1.00 0.00 C ATOM 0 H MET A 105 7.421 9.256 -5.767 1.00 0.00 H new ATOM 0 HA MET A 105 5.183 7.838 -4.587 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.788 8.278 -3.171 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.812 6.827 -3.276 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.581 7.954 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.940 6.562 -4.468 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.053 4.126 -5.418 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.774 4.986 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.312 5.631 -4.821 1.00 0.00 H new ATOM 1566 N ASN A 106 5.542 10.774 -3.830 1.00 0.00 N ATOM 1567 CA ASN A 106 5.209 11.875 -2.950 1.00 0.00 C ATOM 1568 C ASN A 106 3.703 12.101 -2.910 1.00 0.00 C ATOM 1569 O ASN A 106 3.169 12.592 -1.916 1.00 0.00 O ATOM 1570 CB ASN A 106 5.928 13.140 -3.415 1.00 0.00 C ATOM 1571 CG ASN A 106 7.241 12.837 -4.112 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.536 13.388 -5.172 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.039 11.958 -3.515 1.00 0.00 N ATOM 0 H ASN A 106 5.666 11.037 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 106 5.537 11.628 -1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.279 13.695 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.116 13.784 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.936 11.716 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.754 11.525 -2.636 1.00 0.00 H new ATOM 1580 N ALA A 107 3.021 11.735 -3.993 1.00 0.00 N ATOM 1581 CA ALA A 107 1.573 11.896 -4.068 1.00 0.00 C ATOM 1582 C ALA A 107 0.897 11.186 -2.904 1.00 0.00 C ATOM 1583 O ALA A 107 -0.003 11.732 -2.265 1.00 0.00 O ATOM 1584 CB ALA A 107 1.052 11.359 -5.393 1.00 0.00 C ATOM 0 H ALA A 107 3.446 11.327 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 107 1.338 12.958 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.030 11.485 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.514 11.906 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.298 10.300 -5.478 1.00 0.00 H new ATOM 1590 N TRP A 108 1.342 9.964 -2.635 1.00 0.00 N ATOM 1591 CA TRP A 108 0.791 9.171 -1.549 1.00 0.00 C ATOM 1592 C TRP A 108 1.378 9.618 -0.212 1.00 0.00 C ATOM 1593 O TRP A 108 2.580 9.855 -0.093 1.00 0.00 O ATOM 1594 CB TRP A 108 1.052 7.686 -1.802 1.00 0.00 C ATOM 1595 CG TRP A 108 0.422 7.198 -3.075 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.880 6.826 -3.256 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.063 7.039 -4.348 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.085 6.443 -4.561 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.092 6.562 -5.252 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.363 7.252 -4.811 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.383 6.295 -6.591 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.650 6.988 -6.136 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.666 6.514 -7.013 1.00 0.00 C ATOM 0 H TRP A 108 2.086 9.502 -3.158 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.287 9.324 -1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.127 7.512 -1.843 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.666 7.105 -0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.638 6.832 -2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.971 6.122 -4.952 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.131 7.617 -4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.375 5.930 -7.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.653 7.150 -6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.925 6.317 -8.043 1.00 0.00 H new ATOM 1614 N VAL A 109 0.505 9.768 0.776 1.00 0.00 N ATOM 1615 CA VAL A 109 0.895 10.234 2.107 1.00 0.00 C ATOM 1616 C VAL A 109 1.569 9.168 2.960 1.00 0.00 C ATOM 1617 O VAL A 109 2.252 9.495 3.930 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.312 10.743 2.881 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.088 11.864 3.826 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.424 11.190 1.942 1.00 0.00 C ATOM 0 H VAL A 109 -0.491 9.572 0.681 1.00 0.00 H new ATOM 0 HA VAL A 109 1.614 11.031 1.921 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.699 9.917 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.790 12.213 4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.830 11.495 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.512 12.689 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.272 11.548 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.059 11.994 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.739 10.349 1.324 1.00 0.00 H new ATOM 1630 N ALA A 110 1.392 7.905 2.613 1.00 0.00 N ATOM 1631 CA ALA A 110 2.010 6.828 3.379 1.00 0.00 C ATOM 1632 C ALA A 110 3.508 6.785 3.133 1.00 0.00 C ATOM 1633 O ALA A 110 4.281 6.398 4.011 1.00 0.00 O ATOM 1634 CB ALA A 110 1.370 5.491 3.038 1.00 0.00 C ATOM 0 H ALA A 110 0.833 7.599 1.817 1.00 0.00 H new ATOM 0 HA ALA A 110 1.845 7.025 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.845 4.701 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.306 5.526 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.499 5.286 1.975 1.00 0.00 H new ATOM 1640 N TRP A 111 3.915 7.209 1.947 1.00 0.00 N ATOM 1641 CA TRP A 111 5.326 7.241 1.611 1.00 0.00 C ATOM 1642 C TRP A 111 5.950 8.517 2.162 1.00 0.00 C ATOM 1643 O TRP A 111 7.105 8.519 2.586 1.00 0.00 O ATOM 1644 CB TRP A 111 5.543 7.137 0.097 1.00 0.00 C ATOM 1645 CG TRP A 111 6.988 7.022 -0.289 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.675 5.873 -0.554 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.925 8.095 -0.450 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.979 6.165 -0.872 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.158 7.521 -0.815 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.841 9.485 -0.323 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.295 8.289 -1.053 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.972 10.246 -0.560 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.184 9.645 -0.921 1.00 0.00 C ATOM 0 H TRP A 111 3.292 7.533 1.207 1.00 0.00 H new ATOM 0 HA TRP A 111 5.812 6.378 2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.003 6.269 -0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.114 8.015 -0.386 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.255 4.879 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.698 5.482 -1.112 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.910 9.956 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.232 7.829 -1.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.919 11.321 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.050 10.266 -1.099 1.00 0.00 H new ATOM 1664 N ARG A 112 5.175 9.600 2.180 1.00 0.00 N ATOM 1665 CA ARG A 112 5.655 10.868 2.712 1.00 0.00 C ATOM 1666 C ARG A 112 5.297 10.999 4.187 1.00 0.00 C ATOM 1667 O ARG A 112 4.811 12.041 4.630 1.00 0.00 O ATOM 1668 CB ARG A 112 5.044 12.025 1.939 1.00 0.00 C ATOM 1669 CG ARG A 112 5.791 12.374 0.664 1.00 0.00 C ATOM 1670 CD ARG A 112 5.614 13.839 0.297 1.00 0.00 C ATOM 1671 NE ARG A 112 6.394 14.718 1.166 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.308 16.045 1.142 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.478 16.644 0.298 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.051 16.773 1.965 1.00 0.00 N ATOM 0 H ARG A 112 4.216 9.622 1.833 1.00 0.00 H new ATOM 0 HA ARG A 112 6.740 10.894 2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.013 11.777 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.013 12.904 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.851 12.155 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.432 11.747 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.916 13.992 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.559 14.105 0.365 1.00 0.00 H new ATOM 0 HE ARG A 112 7.041 14.290 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.904 16.087 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.414 17.662 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.688 16.315 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.985 17.791 1.946 1.00 0.00 H new ATOM 1688 N ASN A 113 5.549 9.944 4.942 1.00 0.00 N ATOM 1689 CA ASN A 113 5.262 9.943 6.370 1.00 0.00 C ATOM 1690 C ASN A 113 6.196 8.996 7.109 1.00 0.00 C ATOM 1691 O ASN A 113 6.942 9.405 7.998 1.00 0.00 O ATOM 1692 CB ASN A 113 3.808 9.542 6.621 1.00 0.00 C ATOM 1693 CG ASN A 113 3.272 10.095 7.928 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.448 11.274 8.234 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.613 9.244 8.705 1.00 0.00 N ATOM 0 H ASN A 113 5.952 9.075 4.592 1.00 0.00 H new ATOM 0 HA ASN A 113 5.422 10.953 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.189 9.898 5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.730 8.455 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.229 9.559 9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.491 8.275 8.411 1.00 0.00 H new ATOM 1702 N ARG A 114 6.138 7.724 6.740 1.00 0.00 N ATOM 1703 CA ARG A 114 6.965 6.706 7.370 1.00 0.00 C ATOM 1704 C ARG A 114 8.010 6.149 6.408 1.00 0.00 C ATOM 1705 O ARG A 114 8.722 5.201 6.738 1.00 0.00 O ATOM 1706 CB ARG A 114 6.083 5.572 7.883 1.00 0.00 C ATOM 1707 CG ARG A 114 5.618 5.760 9.318 1.00 0.00 C ATOM 1708 CD ARG A 114 6.628 5.203 10.308 1.00 0.00 C ATOM 1709 NE ARG A 114 5.979 4.544 11.439 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.637 4.074 12.495 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.956 4.192 12.565 1.00 0.00 N ATOM 1712 NH2 ARG A 114 5.974 3.489 13.482 1.00 0.00 N ATOM 0 H ARG A 114 5.524 7.372 6.005 1.00 0.00 H new ATOM 0 HA ARG A 114 7.493 7.173 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.210 5.482 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.633 4.634 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.461 6.821 9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.658 5.264 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.280 4.493 9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.261 6.011 10.674 1.00 0.00 H new ATOM 0 HE ARG A 114 4.965 4.438 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.468 4.644 11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.458 3.831 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.959 3.399 13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.478 3.128 14.292 1.00 0.00 H new ATOM 1726 N CYS A 115 8.093 6.729 5.216 1.00 0.00 N ATOM 1727 CA CYS A 115 9.049 6.265 4.218 1.00 0.00 C ATOM 1728 C CYS A 115 10.122 7.309 3.933 1.00 0.00 C ATOM 1729 O CYS A 115 11.313 7.003 3.950 1.00 0.00 O ATOM 1730 CB CYS A 115 8.323 5.894 2.926 1.00 0.00 C ATOM 1731 SG CYS A 115 7.446 4.302 3.010 1.00 0.00 S ATOM 0 H CYS A 115 7.515 7.515 4.919 1.00 0.00 H new ATOM 0 HA CYS A 115 9.545 5.382 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.608 6.680 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.046 5.858 2.111 1.00 0.00 H new ATOM 1736 N LYS A 116 9.697 8.540 3.666 1.00 0.00 N ATOM 1737 CA LYS A 116 10.633 9.621 3.372 1.00 0.00 C ATOM 1738 C LYS A 116 11.528 9.910 4.572 1.00 0.00 C ATOM 1739 O LYS A 116 11.207 10.754 5.409 1.00 0.00 O ATOM 1740 CB LYS A 116 9.872 10.886 2.971 1.00 0.00 C ATOM 1741 CG LYS A 116 10.719 11.884 2.198 1.00 0.00 C ATOM 1742 CD LYS A 116 11.102 13.075 3.061 1.00 0.00 C ATOM 1743 CE LYS A 116 11.229 14.344 2.234 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.437 14.323 1.364 1.00 0.00 N ATOM 0 H LYS A 116 8.715 8.814 3.647 1.00 0.00 H new ATOM 0 HA LYS A 116 11.264 9.305 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.011 10.605 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.486 11.368 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.621 11.392 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.169 12.229 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.351 13.219 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.047 12.872 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.339 14.465 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.275 15.207 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.486 15.206 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.288 14.233 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.381 13.515 0.712 1.00 0.00 H new ATOM 1758 N GLY A 117 12.654 9.206 4.649 1.00 0.00 N ATOM 1759 CA GLY A 117 13.578 9.408 5.749 1.00 0.00 C ATOM 1760 C GLY A 117 14.168 8.112 6.270 1.00 0.00 C ATOM 1761 O GLY A 117 14.923 8.119 7.242 1.00 0.00 O ATOM 0 H GLY A 117 12.942 8.501 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.385 10.064 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.061 9.919 6.562 1.00 0.00 H new ATOM 1765 N THR A 118 13.827 6.996 5.630 1.00 0.00 N ATOM 1766 CA THR A 118 14.335 5.693 6.045 1.00 0.00 C ATOM 1767 C THR A 118 15.164 5.050 4.935 1.00 0.00 C ATOM 1768 O THR A 118 15.768 5.748 4.120 1.00 0.00 O ATOM 1769 CB THR A 118 13.186 4.744 6.438 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.255 4.629 5.355 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.467 5.249 7.679 1.00 0.00 C ATOM 0 H THR A 118 13.202 6.969 4.824 1.00 0.00 H new ATOM 0 HA THR A 118 14.969 5.858 6.916 1.00 0.00 H new ATOM 0 HB THR A 118 13.612 3.765 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.939 5.521 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.660 4.563 7.937 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.171 5.309 8.509 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.053 6.238 7.483 1.00 0.00 H new ATOM 1779 N ASP A 119 15.194 3.719 4.906 1.00 0.00 N ATOM 1780 CA ASP A 119 15.953 2.996 3.892 1.00 0.00 C ATOM 1781 C ASP A 119 15.088 1.978 3.159 1.00 0.00 C ATOM 1782 O ASP A 119 14.863 0.869 3.644 1.00 0.00 O ATOM 1783 CB ASP A 119 17.141 2.308 4.517 1.00 0.00 C ATOM 1784 CG ASP A 119 18.310 2.182 3.559 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.683 3.201 2.941 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.854 1.066 3.429 1.00 0.00 O ATOM 0 H ASP A 119 14.703 3.122 5.572 1.00 0.00 H new ATOM 0 HA ASP A 119 16.302 3.726 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.457 2.865 5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.845 1.315 4.856 1.00 0.00 H new ATOM 1791 N VAL A 120 14.611 2.369 1.984 1.00 0.00 N ATOM 1792 CA VAL A 120 13.774 1.507 1.162 1.00 0.00 C ATOM 1793 C VAL A 120 14.594 0.378 0.556 1.00 0.00 C ATOM 1794 O VAL A 120 14.109 -0.745 0.410 1.00 0.00 O ATOM 1795 CB VAL A 120 13.090 2.302 0.033 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.099 3.301 0.608 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.126 3.006 -0.830 1.00 0.00 C ATOM 0 H VAL A 120 14.792 3.286 1.577 1.00 0.00 H new ATOM 0 HA VAL A 120 13.006 1.087 1.811 1.00 0.00 H new ATOM 0 HB VAL A 120 12.542 1.602 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.626 3.853 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.337 2.770 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.623 3.997 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.623 3.562 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.705 3.694 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.793 2.267 -1.273 1.00 0.00 H new ATOM 1807 N GLN A 121 15.843 0.679 0.215 1.00 0.00 N ATOM 1808 CA GLN A 121 16.734 -0.319 -0.359 1.00 0.00 C ATOM 1809 C GLN A 121 16.892 -1.478 0.614 1.00 0.00 C ATOM 1810 O GLN A 121 17.212 -2.601 0.222 1.00 0.00 O ATOM 1811 CB GLN A 121 18.098 0.296 -0.675 1.00 0.00 C ATOM 1812 CG GLN A 121 18.324 0.547 -2.157 1.00 0.00 C ATOM 1813 CD GLN A 121 19.777 0.827 -2.486 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.425 0.057 -3.194 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.298 1.935 -1.971 1.00 0.00 N ATOM 0 H GLN A 121 16.259 1.604 0.326 1.00 0.00 H new ATOM 0 HA GLN A 121 16.302 -0.686 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.196 1.239 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.880 -0.366 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.988 -0.321 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.714 1.392 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.725 2.546 -1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.272 2.175 -2.158 1.00 0.00 H new ATOM 1824 N ALA A 122 16.650 -1.189 1.889 1.00 0.00 N ATOM 1825 CA ALA A 122 16.744 -2.191 2.936 1.00 0.00 C ATOM 1826 C ALA A 122 15.402 -2.883 3.138 1.00 0.00 C ATOM 1827 O ALA A 122 15.340 -3.998 3.657 1.00 0.00 O ATOM 1828 CB ALA A 122 17.216 -1.557 4.236 1.00 0.00 C ATOM 0 H ALA A 122 16.386 -0.261 2.220 1.00 0.00 H new ATOM 0 HA ALA A 122 17.474 -2.940 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.281 -2.321 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.198 -1.107 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.508 -0.788 4.544 1.00 0.00 H new ATOM 1834 N TRP A 123 14.324 -2.216 2.724 1.00 0.00 N ATOM 1835 CA TRP A 123 12.981 -2.779 2.860 1.00 0.00 C ATOM 1836 C TRP A 123 12.849 -4.088 2.086 1.00 0.00 C ATOM 1837 O TRP A 123 11.918 -4.862 2.313 1.00 0.00 O ATOM 1838 CB TRP A 123 11.928 -1.781 2.376 1.00 0.00 C ATOM 1839 CG TRP A 123 11.421 -0.874 3.457 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.300 0.484 3.395 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.964 -1.256 4.761 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.800 0.966 4.580 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.588 -0.087 5.431 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.838 -2.472 5.428 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.095 -0.108 6.727 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.350 -2.491 6.716 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.982 -1.312 7.355 1.00 0.00 C ATOM 0 H TRP A 123 14.354 -1.291 2.294 1.00 0.00 H new ATOM 0 HA TRP A 123 12.816 -2.987 3.917 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.353 -1.176 1.575 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.088 -2.329 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.559 1.091 2.540 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.617 1.947 4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.121 -3.393 4.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.808 0.806 7.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.252 -3.433 7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.601 -1.351 8.365 1.00 0.00 H new ATOM 1858 N ILE A 124 13.787 -4.335 1.176 1.00 0.00 N ATOM 1859 CA ILE A 124 13.776 -5.555 0.376 1.00 0.00 C ATOM 1860 C ILE A 124 15.100 -6.302 0.505 1.00 0.00 C ATOM 1861 O ILE A 124 15.402 -7.198 -0.285 1.00 0.00 O ATOM 1862 CB ILE A 124 13.510 -5.257 -1.111 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.351 -4.068 -1.578 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.029 -4.993 -1.342 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.437 -4.444 -2.562 1.00 0.00 C ATOM 0 H ILE A 124 14.564 -3.706 0.974 1.00 0.00 H new ATOM 0 HA ILE A 124 12.967 -6.177 0.759 1.00 0.00 H new ATOM 0 HB ILE A 124 13.799 -6.130 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.696 -3.328 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.808 -3.593 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.857 -4.784 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.453 -5.870 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.715 -4.136 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.993 -3.551 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.115 -5.160 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.986 -4.892 -3.448 1.00 0.00 H new ATOM 1877 N ARG A 125 15.884 -5.923 1.508 1.00 0.00 N ATOM 1878 CA ARG A 125 17.178 -6.548 1.753 1.00 0.00 C ATOM 1879 C ARG A 125 17.007 -7.990 2.224 1.00 0.00 C ATOM 1880 O ARG A 125 16.900 -8.254 3.422 1.00 0.00 O ATOM 1881 CB ARG A 125 17.965 -5.750 2.793 1.00 0.00 C ATOM 1882 CG ARG A 125 19.274 -5.187 2.264 1.00 0.00 C ATOM 1883 CD ARG A 125 20.328 -5.105 3.357 1.00 0.00 C ATOM 1884 NE ARG A 125 21.667 -4.899 2.813 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.463 -5.887 2.416 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.057 -7.146 2.503 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.668 -5.616 1.931 1.00 0.00 N ATOM 0 H ARG A 125 15.644 -5.182 2.167 1.00 0.00 H new ATOM 0 HA ARG A 125 17.733 -6.555 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.345 -4.929 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.174 -6.392 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.639 -5.815 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.102 -4.194 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.083 -4.288 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.313 -6.023 3.944 1.00 0.00 H new ATOM 0 HE ARG A 125 22.012 -3.942 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.132 -7.359 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.670 -7.902 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.984 -4.649 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.278 -6.375 1.627 1.00 0.00 H new ATOM 1901 N GLY A 126 16.982 -8.919 1.273 1.00 0.00 N ATOM 1902 CA GLY A 126 16.825 -10.323 1.610 1.00 0.00 C ATOM 1903 C GLY A 126 15.763 -11.010 0.774 1.00 0.00 C ATOM 1904 O GLY A 126 15.611 -12.229 0.832 1.00 0.00 O ATOM 0 H GLY A 126 17.068 -8.725 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.778 -10.834 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.565 -10.412 2.665 1.00 0.00 H new ATOM 1908 N CYS A 127 15.025 -10.224 -0.005 1.00 0.00 N ATOM 1909 CA CYS A 127 13.971 -10.761 -0.854 1.00 0.00 C ATOM 1910 C CYS A 127 14.544 -11.407 -2.109 1.00 0.00 C ATOM 1911 O CYS A 127 15.761 -11.463 -2.292 1.00 0.00 O ATOM 1912 CB CYS A 127 12.992 -9.667 -1.227 1.00 0.00 C ATOM 1913 SG CYS A 127 11.588 -9.501 -0.078 1.00 0.00 S ATOM 0 H CYS A 127 15.139 -9.212 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 127 13.446 -11.533 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.525 -8.717 -1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.607 -9.864 -2.228 1.00 0.00 H new ATOM 1918 N ARG A 128 13.659 -11.895 -2.973 1.00 0.00 N ATOM 1919 CA ARG A 128 14.076 -12.540 -4.213 1.00 0.00 C ATOM 1920 C ARG A 128 13.173 -12.126 -5.371 1.00 0.00 C ATOM 1921 O ARG A 128 12.053 -12.619 -5.505 1.00 0.00 O ATOM 1922 CB ARG A 128 14.054 -14.062 -4.053 1.00 0.00 C ATOM 1923 CG ARG A 128 15.059 -14.780 -4.938 1.00 0.00 C ATOM 1924 CD ARG A 128 15.169 -16.253 -4.573 1.00 0.00 C ATOM 1925 NE ARG A 128 15.834 -17.026 -5.618 1.00 0.00 N ATOM 1926 CZ ARG A 128 17.150 -17.208 -5.677 1.00 0.00 C ATOM 1927 NH1 ARG A 128 17.940 -16.673 -4.755 1.00 0.00 N ATOM 1928 NH2 ARG A 128 17.678 -17.927 -6.659 1.00 0.00 N ATOM 0 H ARG A 128 12.649 -11.856 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 128 15.094 -12.220 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.255 -14.313 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.053 -14.429 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.761 -14.684 -5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 128 16.036 -14.306 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.722 -16.355 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.172 -16.659 -4.400 1.00 0.00 H new ATOM 0 HE ARG A 128 15.257 -17.450 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 128 17.538 -16.120 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 128 18.949 -16.815 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.074 -18.341 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.688 -18.066 -6.703 1.00 0.00 H new ATOM 1942 N LEU A 129 13.671 -11.219 -6.206 1.00 0.00 N ATOM 1943 CA LEU A 129 12.910 -10.737 -7.354 1.00 0.00 C ATOM 1944 C LEU A 129 13.721 -10.872 -8.639 1.00 0.00 C ATOM 1945 O LEU A 129 13.142 -10.669 -9.727 1.00 0.00 O ATOM 1946 CB LEU A 129 12.499 -9.279 -7.145 1.00 0.00 C ATOM 1947 CG LEU A 129 13.559 -8.396 -6.481 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.912 -7.219 -7.376 1.00 0.00 C ATOM 1949 CD2 LEU A 129 13.070 -7.909 -5.125 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.929 -11.178 -8.546 1.00 0.00 O ATOM 0 H LEU A 129 14.597 -10.803 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 129 12.013 -11.349 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.243 -8.847 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.595 -9.256 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 129 14.459 -8.992 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.667 -6.603 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.303 -7.587 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.019 -6.621 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.835 -7.283 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 129 12.156 -7.329 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.868 -8.766 -4.482 1.00 0.00 H new TER 1962 LEU A 129