USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -3.96! K(o=-6.1!,f=-1.8) USER MOD Set 1.2: A 130 ASN : amide:sc= -2.13! K(o=-6.1!,f=-1.8) USER MOD Set 2.1: A 70 SER OG : rot 7:sc= -0.351 USER MOD Set 2.2: A 81 THR OG1 : rot -70:sc= 0.51 USER MOD Set 3.1: A 27 SER OG : rot 19:sc= -0.214 USER MOD Set 3.2: A 37 ASN : amide:sc= -2.71! C(o=-2.9!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 149:sc= 0.793 (180deg=-0.72!) USER MOD Single : A 14 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= -0.991 USER MOD Single : A 26 THR OG1 : rot -99:sc= 1.09 USER MOD Single : A 35 MET CE :methyl -104:sc= -0.984 (180deg=-3.08) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-2.7!) USER MOD Single : A 46 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.028) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 50 GLN : amide:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 51 SER OG : rot -99:sc= 1.43 USER MOD Single : A 56 SER OG : rot 161:sc= 1.22 USER MOD Single : A 58 CYS SG : rot -1:sc= -1.61 USER MOD Single : A 59 GLN : amide:sc= -0.447 K(o=-0.45,f=1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -83:sc= 0.894 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00194 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.054) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 91 THR OG1 : rot 97:sc= 0.395 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.975 USER MOD Single : A 97 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-3.2!) USER MOD Single : A 98 SER OG : rot 180:sc= -2.26! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0.0766 K(o=0.077,f=-1.7) USER MOD Single : A 105 THR OG1 : rot -160:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -160:sc= -0.0183 (180deg=-0.24) USER MOD Single : A 114 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 118 HIS : no HD1:sc= -1.95 K(o=-2,f=-2.9!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.931 20.488 -14.199 1.00 0.00 N ATOM 2 CA MET A 1 -3.137 19.801 -13.768 1.00 0.00 C ATOM 3 C MET A 1 -3.122 18.336 -14.209 1.00 0.00 C ATOM 4 O MET A 1 -3.007 17.435 -13.380 1.00 0.00 O ATOM 5 CB MET A 1 -4.362 20.500 -14.360 1.00 0.00 C ATOM 6 CG MET A 1 -5.655 19.818 -13.908 1.00 0.00 C ATOM 7 SD MET A 1 -6.998 20.275 -14.991 1.00 0.00 S ATOM 8 CE MET A 1 -6.841 19.002 -16.234 1.00 0.00 C ATOM 0 H1 MET A 1 -1.966 21.480 -13.887 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.099 20.023 -13.782 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.864 20.453 -15.236 1.00 0.00 H new ATOM 0 HA MET A 1 -3.180 19.832 -12.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.372 21.546 -14.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.302 20.488 -15.448 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.526 18.736 -13.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.889 20.107 -12.883 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.610 19.139 -16.994 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.857 19.066 -16.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.960 18.023 -15.769 1.00 0.00 H new ATOM 18 N THR A 2 -3.239 18.144 -15.515 1.00 0.00 N ATOM 19 CA THR A 2 -3.240 16.804 -16.077 1.00 0.00 C ATOM 20 C THR A 2 -4.319 15.947 -15.411 1.00 0.00 C ATOM 21 O THR A 2 -4.882 16.336 -14.389 1.00 0.00 O ATOM 22 CB THR A 2 -1.830 16.228 -15.929 1.00 0.00 C ATOM 23 OG1 THR A 2 -1.027 17.057 -16.765 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.698 14.835 -16.549 1.00 0.00 C ATOM 0 H THR A 2 -3.334 18.894 -16.200 1.00 0.00 H new ATOM 0 HA THR A 2 -3.491 16.820 -17.138 1.00 0.00 H new ATOM 0 HB THR A 2 -1.566 16.181 -14.872 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.095 16.755 -16.727 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.679 14.473 -16.416 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.392 14.152 -16.060 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.929 14.887 -17.613 1.00 0.00 H new ATOM 32 N ARG A 3 -4.573 14.797 -16.017 1.00 0.00 N ATOM 33 CA ARG A 3 -5.574 13.882 -15.495 1.00 0.00 C ATOM 34 C ARG A 3 -5.300 13.579 -14.021 1.00 0.00 C ATOM 35 O ARG A 3 -4.415 14.180 -13.414 1.00 0.00 O ATOM 36 CB ARG A 3 -5.587 12.571 -16.284 1.00 0.00 C ATOM 37 CG ARG A 3 -4.226 11.876 -16.215 1.00 0.00 C ATOM 38 CD ARG A 3 -3.528 11.900 -17.577 1.00 0.00 C ATOM 39 NE ARG A 3 -2.349 11.006 -17.557 1.00 0.00 N ATOM 40 CZ ARG A 3 -1.439 10.941 -18.539 1.00 0.00 C ATOM 41 NH1 ARG A 3 -1.567 11.717 -19.624 1.00 0.00 N ATOM 42 NH2 ARG A 3 -0.401 10.100 -18.435 1.00 0.00 N ATOM 0 H ARG A 3 -4.103 14.478 -16.864 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.547 14.363 -15.596 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.357 11.910 -15.886 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.845 12.771 -17.324 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.599 12.369 -15.472 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.357 10.845 -15.887 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.222 11.583 -18.356 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.220 12.917 -17.819 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.221 10.402 -16.745 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.357 12.357 -19.703 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.874 11.667 -20.371 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.304 9.510 -17.609 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.292 10.050 -19.182 1.00 0.00 H new ATOM 56 N LEU A 4 -6.075 12.646 -13.487 1.00 0.00 N ATOM 57 CA LEU A 4 -5.927 12.256 -12.095 1.00 0.00 C ATOM 58 C LEU A 4 -4.495 11.774 -11.855 1.00 0.00 C ATOM 59 O LEU A 4 -4.056 10.796 -12.458 1.00 0.00 O ATOM 60 CB LEU A 4 -6.994 11.230 -11.709 1.00 0.00 C ATOM 61 CG LEU A 4 -8.441 11.616 -12.024 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.370 10.407 -11.902 1.00 0.00 C ATOM 63 CD2 LEU A 4 -8.900 12.783 -11.148 1.00 0.00 C ATOM 0 H LEU A 4 -6.808 12.149 -13.994 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.090 13.112 -11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.770 10.293 -12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.915 11.038 -10.639 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.487 11.953 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.392 10.709 -12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.055 9.634 -12.602 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.326 10.016 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.931 13.037 -11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.835 12.497 -10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.261 13.647 -11.329 1.00 0.00 H new ATOM 75 N PRO A 5 -3.787 12.501 -10.949 1.00 0.00 N ATOM 76 CA PRO A 5 -2.414 12.158 -10.622 1.00 0.00 C ATOM 77 C PRO A 5 -2.357 10.920 -9.724 1.00 0.00 C ATOM 78 O PRO A 5 -3.188 10.757 -8.832 1.00 0.00 O ATOM 79 CB PRO A 5 -1.845 13.400 -9.957 1.00 0.00 C ATOM 80 CG PRO A 5 -3.045 14.224 -9.517 1.00 0.00 C ATOM 81 CD PRO A 5 -4.275 13.665 -10.215 1.00 0.00 C ATOM 0 HA PRO A 5 -1.828 11.889 -11.501 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.220 13.135 -9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.218 13.962 -10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.165 14.176 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.903 15.273 -9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.046 13.386 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.717 14.400 -10.887 1.00 0.00 H new ATOM 89 N ASP A 6 -1.369 10.079 -9.992 1.00 0.00 N ATOM 90 CA ASP A 6 -1.193 8.861 -9.219 1.00 0.00 C ATOM 91 C ASP A 6 -1.439 9.161 -7.739 1.00 0.00 C ATOM 92 O ASP A 6 -1.072 10.228 -7.249 1.00 0.00 O ATOM 93 CB ASP A 6 0.231 8.319 -9.362 1.00 0.00 C ATOM 94 CG ASP A 6 0.765 8.274 -10.795 1.00 0.00 C ATOM 95 OD1 ASP A 6 -0.061 8.027 -11.701 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.986 8.486 -10.952 1.00 0.00 O ATOM 0 H ASP A 6 -0.682 10.217 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.900 8.120 -9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.900 8.934 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.264 7.312 -8.946 1.00 0.00 H new ATOM 101 N ILE A 7 -2.058 8.200 -7.068 1.00 0.00 N ATOM 102 CA ILE A 7 -2.356 8.348 -5.654 1.00 0.00 C ATOM 103 C ILE A 7 -1.062 8.223 -4.848 1.00 0.00 C ATOM 104 O ILE A 7 -0.861 7.237 -4.140 1.00 0.00 O ATOM 105 CB ILE A 7 -3.444 7.359 -5.230 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.735 7.593 -6.017 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.676 7.414 -3.719 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.861 6.693 -5.502 1.00 0.00 C ATOM 0 H ILE A 7 -2.361 7.316 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.762 9.339 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.101 6.352 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.032 8.638 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.561 7.395 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.454 6.702 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.752 7.161 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.988 8.419 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.768 6.879 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.570 5.648 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.048 6.910 -4.450 1.00 0.00 H new ATOM 120 N LYS A 8 -0.218 9.235 -4.982 1.00 0.00 N ATOM 121 CA LYS A 8 1.051 9.250 -4.275 1.00 0.00 C ATOM 122 C LYS A 8 0.840 9.818 -2.870 1.00 0.00 C ATOM 123 O LYS A 8 0.395 10.954 -2.716 1.00 0.00 O ATOM 124 CB LYS A 8 2.109 9.999 -5.088 1.00 0.00 C ATOM 125 CG LYS A 8 3.414 10.130 -4.301 1.00 0.00 C ATOM 126 CD LYS A 8 4.551 10.616 -5.203 1.00 0.00 C ATOM 127 CE LYS A 8 5.156 11.916 -4.670 1.00 0.00 C ATOM 128 NZ LYS A 8 5.894 12.622 -5.742 1.00 0.00 N ATOM 0 H LYS A 8 -0.388 10.051 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 8 1.433 8.236 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.296 9.471 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.737 10.990 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.276 10.828 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.678 9.167 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.324 9.850 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.176 10.773 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.366 12.558 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.828 11.698 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.298 13.502 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.660 12.013 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.243 12.847 -6.521 1.00 0.00 H new ATOM 142 N LYS A 9 1.170 9.000 -1.881 1.00 0.00 N ATOM 143 CA LYS A 9 1.023 9.406 -0.493 1.00 0.00 C ATOM 144 C LYS A 9 2.330 9.137 0.254 1.00 0.00 C ATOM 145 O LYS A 9 3.176 8.381 -0.220 1.00 0.00 O ATOM 146 CB LYS A 9 -0.196 8.729 0.136 1.00 0.00 C ATOM 147 CG LYS A 9 -1.346 9.724 0.312 1.00 0.00 C ATOM 148 CD LYS A 9 -2.291 9.686 -0.891 1.00 0.00 C ATOM 149 CE LYS A 9 -2.901 11.065 -1.152 1.00 0.00 C ATOM 150 NZ LYS A 9 -1.836 12.077 -1.329 1.00 0.00 N ATOM 0 H LYS A 9 1.539 8.058 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 9 0.833 10.477 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.521 7.900 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.076 8.308 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.899 9.489 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.946 10.731 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.748 9.352 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.085 8.961 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.528 11.029 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.545 11.348 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.165 12.816 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.607 12.505 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.986 11.622 -1.720 1.00 0.00 H new ATOM 164 N GLU A 10 2.455 9.771 1.411 1.00 0.00 N ATOM 165 CA GLU A 10 3.645 9.610 2.228 1.00 0.00 C ATOM 166 C GLU A 10 3.298 9.775 3.709 1.00 0.00 C ATOM 167 O GLU A 10 2.406 10.547 4.059 1.00 0.00 O ATOM 168 CB GLU A 10 4.737 10.595 1.808 1.00 0.00 C ATOM 169 CG GLU A 10 6.072 10.249 2.470 1.00 0.00 C ATOM 170 CD GLU A 10 6.299 11.097 3.723 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.399 12.333 3.561 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.368 10.491 4.814 1.00 0.00 O ATOM 0 H GLU A 10 1.751 10.397 1.802 1.00 0.00 H new ATOM 0 HA GLU A 10 4.033 8.603 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.849 10.578 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.443 11.608 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.088 9.192 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.886 10.413 1.763 1.00 0.00 H new ATOM 179 N VAL A 11 4.021 9.038 4.540 1.00 0.00 N ATOM 180 CA VAL A 11 3.800 9.094 5.975 1.00 0.00 C ATOM 181 C VAL A 11 5.130 8.875 6.699 1.00 0.00 C ATOM 182 O VAL A 11 6.045 8.260 6.153 1.00 0.00 O ATOM 183 CB VAL A 11 2.726 8.082 6.379 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.326 8.615 6.068 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.962 6.731 5.700 1.00 0.00 C ATOM 0 H VAL A 11 4.760 8.399 4.247 1.00 0.00 H new ATOM 0 HA VAL A 11 3.428 10.076 6.267 1.00 0.00 H new ATOM 0 HB VAL A 11 2.796 7.932 7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.581 7.876 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.159 9.541 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.239 8.808 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.185 6.030 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.933 6.858 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.937 6.342 5.994 1.00 0.00 H new ATOM 195 N ARG A 12 5.195 9.391 7.918 1.00 0.00 N ATOM 196 CA ARG A 12 6.398 9.259 8.723 1.00 0.00 C ATOM 197 C ARG A 12 6.056 8.681 10.098 1.00 0.00 C ATOM 198 O ARG A 12 5.318 9.294 10.867 1.00 0.00 O ATOM 199 CB ARG A 12 7.089 10.612 8.904 1.00 0.00 C ATOM 200 CG ARG A 12 8.332 10.478 9.787 1.00 0.00 C ATOM 201 CD ARG A 12 8.375 11.583 10.844 1.00 0.00 C ATOM 202 NE ARG A 12 9.235 11.169 11.975 1.00 0.00 N ATOM 203 CZ ARG A 12 9.301 11.817 13.146 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.558 12.914 13.347 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.111 11.369 14.115 1.00 0.00 N ATOM 0 H ARG A 12 4.435 9.901 8.368 1.00 0.00 H new ATOM 0 HA ARG A 12 7.075 8.584 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.371 11.014 7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.394 11.322 9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.333 9.503 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.229 10.526 9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.757 12.504 10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.367 11.795 11.201 1.00 0.00 H new ATOM 0 HE ARG A 12 9.814 10.338 11.856 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.943 13.255 12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.608 13.408 14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.677 10.535 13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.161 11.862 15.006 1.00 0.00 H new ATOM 219 N PHE A 13 6.609 7.507 10.364 1.00 0.00 N ATOM 220 CA PHE A 13 6.372 6.839 11.633 1.00 0.00 C ATOM 221 C PHE A 13 7.681 6.631 12.396 1.00 0.00 C ATOM 222 O PHE A 13 8.739 6.469 11.789 1.00 0.00 O ATOM 223 CB PHE A 13 5.761 5.473 11.312 1.00 0.00 C ATOM 224 CG PHE A 13 4.571 5.535 10.351 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.679 6.557 10.439 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.406 4.566 9.411 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.575 6.614 9.547 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.302 4.623 8.520 1.00 0.00 C ATOM 229 CZ PHE A 13 2.409 5.646 8.607 1.00 0.00 C ATOM 0 H PHE A 13 7.220 7.001 9.723 1.00 0.00 H new ATOM 0 HA PHE A 13 5.712 7.445 12.254 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.531 4.834 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.441 5.002 12.241 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.810 7.325 11.187 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.114 3.754 9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.867 7.427 9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.171 3.854 7.773 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.569 5.689 7.930 1.00 0.00 H new ATOM 239 N ASN A 14 7.568 6.643 13.716 1.00 0.00 N ATOM 240 CA ASN A 14 8.730 6.459 14.569 1.00 0.00 C ATOM 241 C ASN A 14 8.969 4.962 14.781 1.00 0.00 C ATOM 242 O ASN A 14 8.170 4.288 15.430 1.00 0.00 O ATOM 243 CB ASN A 14 8.514 7.102 15.940 1.00 0.00 C ATOM 244 CG ASN A 14 9.620 8.113 16.252 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.608 8.229 15.545 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.399 8.836 17.346 1.00 0.00 N ATOM 0 H ASN A 14 6.689 6.777 14.216 1.00 0.00 H new ATOM 0 HA ASN A 14 9.584 6.928 14.081 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.544 7.599 15.964 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.495 6.330 16.709 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.078 9.539 17.639 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.551 8.688 17.892 1.00 0.00 H new ATOM 253 N ALA A 15 10.071 4.486 14.221 1.00 0.00 N ATOM 254 CA ALA A 15 10.425 3.082 14.340 1.00 0.00 C ATOM 255 C ALA A 15 11.584 2.770 13.391 1.00 0.00 C ATOM 256 O ALA A 15 11.894 3.562 12.503 1.00 0.00 O ATOM 257 CB ALA A 15 9.193 2.219 14.060 1.00 0.00 C ATOM 0 H ALA A 15 10.731 5.048 13.683 1.00 0.00 H new ATOM 0 HA ALA A 15 10.758 2.855 15.353 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.459 1.166 14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.410 2.458 14.780 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.831 2.418 13.051 1.00 0.00 H new ATOM 263 N PRO A 16 12.209 1.584 13.617 1.00 0.00 N ATOM 264 CA PRO A 16 13.326 1.157 12.793 1.00 0.00 C ATOM 265 C PRO A 16 12.845 0.682 11.420 1.00 0.00 C ATOM 266 O PRO A 16 11.927 -0.132 11.328 1.00 0.00 O ATOM 267 CB PRO A 16 14.011 0.062 13.594 1.00 0.00 C ATOM 268 CG PRO A 16 12.990 -0.405 14.619 1.00 0.00 C ATOM 269 CD PRO A 16 11.869 0.620 14.660 1.00 0.00 C ATOM 0 HA PRO A 16 14.022 1.967 12.576 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.320 -0.760 12.948 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.910 0.439 14.082 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.600 -1.387 14.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.453 -0.504 15.601 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.901 0.156 14.470 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.806 1.099 15.637 1.00 0.00 H new ATOM 277 N ILE A 17 13.487 1.210 10.388 1.00 0.00 N ATOM 278 CA ILE A 17 13.136 0.850 9.025 1.00 0.00 C ATOM 279 C ILE A 17 13.215 -0.670 8.867 1.00 0.00 C ATOM 280 O ILE A 17 12.517 -1.248 8.035 1.00 0.00 O ATOM 281 CB ILE A 17 14.005 1.617 8.027 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.539 1.372 6.591 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.485 1.278 8.215 1.00 0.00 C ATOM 284 CD1 ILE A 17 14.093 2.439 5.644 1.00 0.00 C ATOM 0 H ILE A 17 14.248 1.884 10.469 1.00 0.00 H new ATOM 0 HA ILE A 17 12.108 1.141 8.807 1.00 0.00 H new ATOM 0 HB ILE A 17 13.891 2.683 8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.865 0.385 6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.450 1.377 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.081 1.837 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.794 1.546 9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.636 0.210 8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.746 2.241 4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.745 3.422 5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.183 2.415 5.666 1.00 0.00 H new ATOM 296 N GLU A 18 14.071 -1.274 9.679 1.00 0.00 N ATOM 297 CA GLU A 18 14.250 -2.715 9.640 1.00 0.00 C ATOM 298 C GLU A 18 12.951 -3.422 10.033 1.00 0.00 C ATOM 299 O GLU A 18 12.718 -4.564 9.640 1.00 0.00 O ATOM 300 CB GLU A 18 15.405 -3.149 10.544 1.00 0.00 C ATOM 301 CG GLU A 18 16.370 -4.072 9.796 1.00 0.00 C ATOM 302 CD GLU A 18 16.675 -5.327 10.617 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.890 -6.291 10.492 1.00 0.00 O ATOM 304 OE2 GLU A 18 17.686 -5.292 11.350 1.00 0.00 O ATOM 0 H GLU A 18 14.648 -0.791 10.368 1.00 0.00 H new ATOM 0 HA GLU A 18 14.503 -3.002 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.941 -2.270 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.012 -3.662 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.937 -4.357 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.296 -3.539 9.582 1.00 0.00 H new ATOM 311 N LYS A 19 12.139 -2.714 10.804 1.00 0.00 N ATOM 312 CA LYS A 19 10.870 -3.259 11.254 1.00 0.00 C ATOM 313 C LYS A 19 9.791 -2.958 10.212 1.00 0.00 C ATOM 314 O LYS A 19 9.096 -3.863 9.754 1.00 0.00 O ATOM 315 CB LYS A 19 10.532 -2.744 12.655 1.00 0.00 C ATOM 316 CG LYS A 19 9.638 -3.735 13.403 1.00 0.00 C ATOM 317 CD LYS A 19 9.199 -3.165 14.753 1.00 0.00 C ATOM 318 CE LYS A 19 7.772 -3.602 15.094 1.00 0.00 C ATOM 319 NZ LYS A 19 7.791 -4.740 16.040 1.00 0.00 N ATOM 0 H LYS A 19 12.336 -1.767 11.129 1.00 0.00 H new ATOM 0 HA LYS A 19 10.933 -4.343 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.451 -2.581 13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.029 -1.780 12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.761 -3.966 12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.175 -4.671 13.557 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.882 -3.500 15.533 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.254 -2.077 14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.224 -2.767 15.531 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.245 -3.887 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.815 -5.024 16.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.296 -5.541 15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.275 -4.456 16.915 1.00 0.00 H new ATOM 333 N VAL A 20 9.686 -1.683 9.867 1.00 0.00 N ATOM 334 CA VAL A 20 8.704 -1.251 8.887 1.00 0.00 C ATOM 335 C VAL A 20 8.955 -1.979 7.565 1.00 0.00 C ATOM 336 O VAL A 20 8.014 -2.299 6.840 1.00 0.00 O ATOM 337 CB VAL A 20 8.739 0.272 8.747 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.689 0.754 7.744 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.553 0.952 10.105 1.00 0.00 C ATOM 0 H VAL A 20 10.265 -0.935 10.249 1.00 0.00 H new ATOM 0 HA VAL A 20 7.697 -1.510 9.215 1.00 0.00 H new ATOM 0 HB VAL A 20 9.721 0.551 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.735 1.840 7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.886 0.309 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.697 0.457 8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.582 2.034 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.591 0.662 10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.353 0.645 10.778 1.00 0.00 H new ATOM 349 N TRP A 21 10.229 -2.220 7.292 1.00 0.00 N ATOM 350 CA TRP A 21 10.615 -2.904 6.070 1.00 0.00 C ATOM 351 C TRP A 21 10.027 -4.316 6.112 1.00 0.00 C ATOM 352 O TRP A 21 9.380 -4.751 5.161 1.00 0.00 O ATOM 353 CB TRP A 21 12.135 -2.895 5.894 1.00 0.00 C ATOM 354 CG TRP A 21 12.623 -3.655 4.658 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.524 -4.645 4.601 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.197 -3.443 3.295 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.709 -5.086 3.306 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.877 -4.332 2.487 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.268 -2.532 2.764 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.700 -4.396 1.100 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.103 -2.608 1.375 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.779 -3.497 0.548 1.00 0.00 C ATOM 0 H TRP A 21 11.007 -1.954 7.896 1.00 0.00 H new ATOM 0 HA TRP A 21 10.217 -2.387 5.197 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.477 -1.862 5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.596 -3.330 6.781 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.040 -5.047 5.460 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.340 -5.829 3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.724 -1.829 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.244 -5.101 0.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.401 -1.928 0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.595 -3.495 -0.516 1.00 0.00 H new ATOM 373 N GLU A 22 10.273 -4.992 7.224 1.00 0.00 N ATOM 374 CA GLU A 22 9.775 -6.346 7.403 1.00 0.00 C ATOM 375 C GLU A 22 8.246 -6.358 7.370 1.00 0.00 C ATOM 376 O GLU A 22 7.637 -7.349 6.969 1.00 0.00 O ATOM 377 CB GLU A 22 10.301 -6.956 8.703 1.00 0.00 C ATOM 378 CG GLU A 22 10.956 -8.315 8.446 1.00 0.00 C ATOM 379 CD GLU A 22 10.805 -9.235 9.660 1.00 0.00 C ATOM 380 OE1 GLU A 22 9.642 -9.560 9.985 1.00 0.00 O ATOM 381 OE2 GLU A 22 11.856 -9.592 10.235 1.00 0.00 O ATOM 0 H GLU A 22 10.811 -4.628 8.011 1.00 0.00 H new ATOM 0 HA GLU A 22 10.141 -6.959 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.024 -6.280 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.481 -7.072 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.502 -8.782 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.013 -8.176 8.220 1.00 0.00 H new ATOM 388 N ALA A 23 7.668 -5.244 7.797 1.00 0.00 N ATOM 389 CA ALA A 23 6.221 -5.114 7.822 1.00 0.00 C ATOM 390 C ALA A 23 5.695 -5.045 6.387 1.00 0.00 C ATOM 391 O ALA A 23 4.543 -5.392 6.127 1.00 0.00 O ATOM 392 CB ALA A 23 5.833 -3.884 8.646 1.00 0.00 C ATOM 0 H ALA A 23 8.176 -4.424 8.128 1.00 0.00 H new ATOM 0 HA ALA A 23 5.765 -5.982 8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.748 -3.786 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.205 -3.996 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.270 -2.992 8.196 1.00 0.00 H new ATOM 398 N VAL A 24 6.563 -4.595 5.494 1.00 0.00 N ATOM 399 CA VAL A 24 6.200 -4.476 4.092 1.00 0.00 C ATOM 400 C VAL A 24 6.930 -5.553 3.287 1.00 0.00 C ATOM 401 O VAL A 24 6.965 -5.499 2.059 1.00 0.00 O ATOM 402 CB VAL A 24 6.490 -3.058 3.594 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.774 -2.017 4.458 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.996 -2.791 3.549 1.00 0.00 C ATOM 0 H VAL A 24 7.517 -4.308 5.714 1.00 0.00 H new ATOM 0 HA VAL A 24 5.131 -4.640 3.960 1.00 0.00 H new ATOM 0 HB VAL A 24 6.104 -2.973 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.996 -1.018 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.698 -2.188 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.117 -2.102 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.175 -1.777 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.415 -2.903 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.472 -3.503 2.874 1.00 0.00 H new ATOM 414 N SER A 25 7.496 -6.507 4.012 1.00 0.00 N ATOM 415 CA SER A 25 8.224 -7.595 3.381 1.00 0.00 C ATOM 416 C SER A 25 7.501 -8.920 3.628 1.00 0.00 C ATOM 417 O SER A 25 7.499 -9.800 2.769 1.00 0.00 O ATOM 418 CB SER A 25 9.661 -7.669 3.900 1.00 0.00 C ATOM 419 OG SER A 25 9.782 -8.551 5.012 1.00 0.00 O ATOM 0 H SER A 25 7.465 -6.549 5.031 1.00 0.00 H new ATOM 0 HA SER A 25 8.263 -7.405 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.319 -8.004 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.994 -6.672 4.190 1.00 0.00 H new ATOM 0 HG SER A 25 10.730 -8.697 5.212 1.00 0.00 H new ATOM 425 N THR A 26 6.905 -9.022 4.807 1.00 0.00 N ATOM 426 CA THR A 26 6.180 -10.225 5.178 1.00 0.00 C ATOM 427 C THR A 26 4.689 -10.065 4.874 1.00 0.00 C ATOM 428 O THR A 26 4.210 -8.951 4.670 1.00 0.00 O ATOM 429 CB THR A 26 6.472 -10.518 6.651 1.00 0.00 C ATOM 430 OG1 THR A 26 6.193 -9.286 7.312 1.00 0.00 O ATOM 431 CG2 THR A 26 7.960 -10.755 6.918 1.00 0.00 C ATOM 0 H THR A 26 6.910 -8.291 5.518 1.00 0.00 H new ATOM 0 HA THR A 26 6.509 -11.082 4.590 1.00 0.00 H new ATOM 0 HB THR A 26 5.903 -11.393 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.031 -8.805 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.112 -10.958 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.303 -11.608 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.526 -9.868 6.634 1.00 0.00 H new ATOM 439 N SER A 27 3.997 -11.195 4.854 1.00 0.00 N ATOM 440 CA SER A 27 2.571 -11.194 4.578 1.00 0.00 C ATOM 441 C SER A 27 1.792 -10.866 5.853 1.00 0.00 C ATOM 442 O SER A 27 0.937 -9.981 5.852 1.00 0.00 O ATOM 443 CB SER A 27 2.118 -12.541 4.012 1.00 0.00 C ATOM 444 OG SER A 27 2.947 -12.974 2.936 1.00 0.00 O ATOM 0 H SER A 27 4.398 -12.117 5.025 1.00 0.00 H new ATOM 0 HA SER A 27 2.369 -10.429 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.131 -13.290 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.087 -12.461 3.666 1.00 0.00 H new ATOM 0 HG SER A 27 3.801 -12.494 2.967 1.00 0.00 H new ATOM 450 N GLU A 28 2.115 -11.596 6.911 1.00 0.00 N ATOM 451 CA GLU A 28 1.456 -11.393 8.190 1.00 0.00 C ATOM 452 C GLU A 28 1.525 -9.919 8.595 1.00 0.00 C ATOM 453 O GLU A 28 0.548 -9.363 9.095 1.00 0.00 O ATOM 454 CB GLU A 28 2.068 -12.287 9.270 1.00 0.00 C ATOM 455 CG GLU A 28 0.989 -13.109 9.978 1.00 0.00 C ATOM 456 CD GLU A 28 0.696 -12.546 11.370 1.00 0.00 C ATOM 457 OE1 GLU A 28 1.434 -12.928 12.303 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.259 -11.746 11.469 1.00 0.00 O ATOM 0 H GLU A 28 2.824 -12.329 6.908 1.00 0.00 H new ATOM 0 HA GLU A 28 0.408 -11.672 8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.803 -12.955 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.598 -11.673 9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.076 -13.108 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.314 -14.146 10.062 1.00 0.00 H new ATOM 465 N GLY A 29 2.688 -9.328 8.363 1.00 0.00 N ATOM 466 CA GLY A 29 2.897 -7.930 8.697 1.00 0.00 C ATOM 467 C GLY A 29 2.115 -7.017 7.750 1.00 0.00 C ATOM 468 O GLY A 29 1.622 -5.967 8.160 1.00 0.00 O ATOM 0 H GLY A 29 3.496 -9.792 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.584 -7.747 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.960 -7.694 8.641 1.00 0.00 H new ATOM 472 N LEU A 30 2.027 -7.450 6.501 1.00 0.00 N ATOM 473 CA LEU A 30 1.314 -6.685 5.492 1.00 0.00 C ATOM 474 C LEU A 30 -0.192 -6.818 5.727 1.00 0.00 C ATOM 475 O LEU A 30 -0.882 -5.820 5.930 1.00 0.00 O ATOM 476 CB LEU A 30 1.757 -7.106 4.089 1.00 0.00 C ATOM 477 CG LEU A 30 2.727 -6.159 3.380 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.969 -6.910 2.894 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.030 -5.408 2.244 1.00 0.00 C ATOM 0 H LEU A 30 2.438 -8.321 6.165 1.00 0.00 H new ATOM 0 HA LEU A 30 1.557 -5.626 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.224 -8.089 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.869 -7.217 3.467 1.00 0.00 H new ATOM 0 HG LEU A 30 3.063 -5.412 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.642 -6.214 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.479 -7.359 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.671 -7.692 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.742 -4.742 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.646 -6.123 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.204 -4.823 2.648 1.00 0.00 H new ATOM 491 N ALA A 31 -0.657 -8.058 5.692 1.00 0.00 N ATOM 492 CA ALA A 31 -2.069 -8.333 5.899 1.00 0.00 C ATOM 493 C ALA A 31 -2.534 -7.651 7.187 1.00 0.00 C ATOM 494 O ALA A 31 -3.725 -7.405 7.368 1.00 0.00 O ATOM 495 CB ALA A 31 -2.295 -9.846 5.927 1.00 0.00 C ATOM 0 H ALA A 31 -0.082 -8.883 5.524 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.663 -7.929 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.354 -10.053 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.976 -10.279 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.717 -10.285 6.740 1.00 0.00 H new ATOM 501 N PHE A 32 -1.569 -7.364 8.049 1.00 0.00 N ATOM 502 CA PHE A 32 -1.865 -6.715 9.315 1.00 0.00 C ATOM 503 C PHE A 32 -2.486 -5.335 9.091 1.00 0.00 C ATOM 504 O PHE A 32 -3.110 -4.778 9.993 1.00 0.00 O ATOM 505 CB PHE A 32 -0.535 -6.549 10.053 1.00 0.00 C ATOM 506 CG PHE A 32 -0.608 -6.875 11.547 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.274 -6.044 12.392 1.00 0.00 C ATOM 508 CD2 PHE A 32 -0.007 -7.996 12.028 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.342 -6.346 13.778 1.00 0.00 C ATOM 510 CE2 PHE A 32 -0.075 -8.298 13.414 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.741 -7.467 14.260 1.00 0.00 C ATOM 0 H PHE A 32 -0.582 -7.569 7.895 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.575 -7.315 9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.210 -7.193 9.587 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.190 -5.522 9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.751 -5.154 12.009 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.522 -8.656 11.356 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.871 -5.686 14.449 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.402 -9.188 13.796 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.793 -7.697 15.314 1.00 0.00 H new ATOM 521 N TRP A 33 -2.294 -4.823 7.884 1.00 0.00 N ATOM 522 CA TRP A 33 -2.828 -3.519 7.530 1.00 0.00 C ATOM 523 C TRP A 33 -3.371 -3.602 6.103 1.00 0.00 C ATOM 524 O TRP A 33 -4.506 -3.205 5.842 1.00 0.00 O ATOM 525 CB TRP A 33 -1.770 -2.428 7.705 1.00 0.00 C ATOM 526 CG TRP A 33 -0.525 -2.623 6.837 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.547 -3.386 7.090 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.266 -2.010 5.556 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.474 -3.310 6.071 1.00 0.00 N ATOM 530 CE2 TRP A 33 0.964 -2.447 5.108 1.00 0.00 C ATOM 531 CE3 TRP A 33 -1.045 -1.116 4.800 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.524 -2.044 3.890 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.472 -0.723 3.586 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.766 -1.153 3.121 1.00 0.00 C ATOM 0 H TRP A 33 -1.776 -5.288 7.139 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.644 -3.242 8.197 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.217 -1.462 7.470 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.469 -2.393 8.752 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.670 -3.985 7.980 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.369 -3.797 6.032 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.010 -0.761 5.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.489 -2.401 3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.030 -0.037 2.966 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.141 -0.801 2.171 1.00 0.00 H new ATOM 545 N PHE A 34 -2.535 -4.120 5.214 1.00 0.00 N ATOM 546 CA PHE A 34 -2.917 -4.259 3.820 1.00 0.00 C ATOM 547 C PHE A 34 -4.013 -5.315 3.654 1.00 0.00 C ATOM 548 O PHE A 34 -5.199 -4.993 3.685 1.00 0.00 O ATOM 549 CB PHE A 34 -1.670 -4.712 3.057 1.00 0.00 C ATOM 550 CG PHE A 34 -1.957 -5.227 1.645 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.713 -4.486 0.792 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.455 -6.426 1.244 1.00 0.00 C ATOM 553 CE1 PHE A 34 -2.979 -4.964 -0.519 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.721 -6.903 -0.067 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.477 -6.162 -0.920 1.00 0.00 C ATOM 0 H PHE A 34 -1.594 -4.448 5.433 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.302 -3.311 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.972 -3.877 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.174 -5.499 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.111 -3.534 1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.855 -7.015 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.580 -4.376 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.323 -7.855 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.679 -6.525 -1.917 1.00 0.00 H new ATOM 565 N MET A 35 -3.575 -6.554 3.483 1.00 0.00 N ATOM 566 CA MET A 35 -4.504 -7.658 3.313 1.00 0.00 C ATOM 567 C MET A 35 -3.761 -8.994 3.247 1.00 0.00 C ATOM 568 O MET A 35 -2.561 -9.028 2.979 1.00 0.00 O ATOM 569 CB MET A 35 -5.307 -7.457 2.027 1.00 0.00 C ATOM 570 CG MET A 35 -6.688 -6.869 2.329 1.00 0.00 C ATOM 571 SD MET A 35 -6.931 -5.370 1.392 1.00 0.00 S ATOM 572 CE MET A 35 -6.738 -6.005 -0.265 1.00 0.00 C ATOM 0 H MET A 35 -2.590 -6.817 3.459 1.00 0.00 H new ATOM 0 HA MET A 35 -5.175 -7.678 4.171 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.764 -6.793 1.355 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.419 -8.411 1.511 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.463 -7.593 2.079 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.778 -6.660 3.395 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.759 -5.721 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.821 -7.092 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.516 -5.590 -0.906 1.00 0.00 H new ATOM 582 N GLU A 36 -4.505 -10.062 3.496 1.00 0.00 N ATOM 583 CA GLU A 36 -3.932 -11.396 3.468 1.00 0.00 C ATOM 584 C GLU A 36 -3.186 -11.626 2.152 1.00 0.00 C ATOM 585 O GLU A 36 -3.675 -11.259 1.085 1.00 0.00 O ATOM 586 CB GLU A 36 -5.010 -12.461 3.680 1.00 0.00 C ATOM 587 CG GLU A 36 -5.444 -12.517 5.146 1.00 0.00 C ATOM 588 CD GLU A 36 -5.220 -13.914 5.731 1.00 0.00 C ATOM 589 OE1 GLU A 36 -4.111 -14.448 5.516 1.00 0.00 O ATOM 590 OE2 GLU A 36 -6.164 -14.415 6.380 1.00 0.00 O ATOM 0 H GLU A 36 -5.500 -10.030 3.718 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.218 -11.480 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.872 -12.242 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.630 -13.435 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.883 -11.783 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.497 -12.249 5.228 1.00 0.00 H new ATOM 597 N ASN A 37 -2.014 -12.233 2.271 1.00 0.00 N ATOM 598 CA ASN A 37 -1.196 -12.517 1.104 1.00 0.00 C ATOM 599 C ASN A 37 -0.124 -13.543 1.475 1.00 0.00 C ATOM 600 O ASN A 37 -0.104 -14.047 2.597 1.00 0.00 O ATOM 601 CB ASN A 37 -0.489 -11.254 0.607 1.00 0.00 C ATOM 602 CG ASN A 37 0.461 -10.702 1.672 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.667 -10.647 1.496 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.148 -10.298 2.783 1.00 0.00 N ATOM 0 H ASN A 37 -1.611 -12.536 3.158 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.849 -12.898 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.069 -11.479 -0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.229 -10.497 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.399 -9.914 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.162 -10.372 2.865 1.00 0.00 H new ATOM 611 N ASP A 38 0.741 -13.823 0.511 1.00 0.00 N ATOM 612 CA ASP A 38 1.813 -14.781 0.722 1.00 0.00 C ATOM 613 C ASP A 38 3.144 -14.148 0.311 1.00 0.00 C ATOM 614 O ASP A 38 4.142 -14.848 0.144 1.00 0.00 O ATOM 615 CB ASP A 38 1.604 -16.037 -0.126 1.00 0.00 C ATOM 616 CG ASP A 38 1.355 -17.320 0.670 1.00 0.00 C ATOM 617 OD1 ASP A 38 0.215 -17.471 1.160 1.00 0.00 O ATOM 618 OD2 ASP A 38 2.310 -18.120 0.770 1.00 0.00 O ATOM 0 H ASP A 38 0.721 -13.403 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 38 1.818 -15.056 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.758 -15.871 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.482 -16.182 -0.756 1.00 0.00 H new ATOM 623 N LEU A 39 3.116 -12.833 0.159 1.00 0.00 N ATOM 624 CA LEU A 39 4.308 -12.098 -0.230 1.00 0.00 C ATOM 625 C LEU A 39 5.455 -12.460 0.715 1.00 0.00 C ATOM 626 O LEU A 39 5.226 -12.799 1.875 1.00 0.00 O ATOM 627 CB LEU A 39 4.015 -10.598 -0.295 1.00 0.00 C ATOM 628 CG LEU A 39 5.151 -9.715 -0.816 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.716 -8.938 -2.059 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.675 -8.790 0.284 1.00 0.00 C ATOM 0 H LEU A 39 2.286 -12.256 0.298 1.00 0.00 H new ATOM 0 HA LEU A 39 4.620 -12.382 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.142 -10.446 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.745 -10.257 0.705 1.00 0.00 H new ATOM 0 HG LEU A 39 5.977 -10.361 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.542 -8.319 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.430 -9.638 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.865 -8.303 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.482 -8.173 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.867 -8.148 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.050 -9.388 1.114 1.00 0.00 H new ATOM 642 N LYS A 40 6.666 -12.376 0.184 1.00 0.00 N ATOM 643 CA LYS A 40 7.850 -12.690 0.966 1.00 0.00 C ATOM 644 C LYS A 40 9.006 -11.794 0.516 1.00 0.00 C ATOM 645 O LYS A 40 10.169 -12.185 0.603 1.00 0.00 O ATOM 646 CB LYS A 40 8.163 -14.185 0.885 1.00 0.00 C ATOM 647 CG LYS A 40 8.204 -14.813 2.280 1.00 0.00 C ATOM 648 CD LYS A 40 8.428 -16.324 2.196 1.00 0.00 C ATOM 649 CE LYS A 40 9.913 -16.650 2.028 1.00 0.00 C ATOM 650 NZ LYS A 40 10.177 -18.063 2.379 1.00 0.00 N ATOM 0 H LYS A 40 6.853 -12.095 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 40 7.677 -12.480 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.408 -14.686 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.121 -14.333 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.002 -14.356 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.269 -14.609 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.047 -16.802 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.865 -16.732 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.218 -16.462 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.509 -15.994 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.190 -18.267 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.904 -18.232 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.623 -18.685 1.756 1.00 0.00 H new ATOM 664 N ALA A 41 8.645 -10.610 0.043 1.00 0.00 N ATOM 665 CA ALA A 41 9.638 -9.656 -0.421 1.00 0.00 C ATOM 666 C ALA A 41 10.628 -10.366 -1.347 1.00 0.00 C ATOM 667 O ALA A 41 11.805 -10.501 -1.016 1.00 0.00 O ATOM 668 CB ALA A 41 10.326 -9.009 0.782 1.00 0.00 C ATOM 0 H ALA A 41 7.679 -10.290 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 41 9.165 -8.858 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.071 -8.293 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.584 -8.493 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.814 -9.779 1.380 1.00 0.00 H new ATOM 674 N GLU A 42 10.114 -10.801 -2.488 1.00 0.00 N ATOM 675 CA GLU A 42 10.939 -11.494 -3.464 1.00 0.00 C ATOM 676 C GLU A 42 10.451 -11.190 -4.882 1.00 0.00 C ATOM 677 O GLU A 42 9.274 -11.372 -5.190 1.00 0.00 O ATOM 678 CB GLU A 42 10.951 -13.001 -3.199 1.00 0.00 C ATOM 679 CG GLU A 42 12.383 -13.541 -3.177 1.00 0.00 C ATOM 680 CD GLU A 42 12.441 -14.909 -2.494 1.00 0.00 C ATOM 681 OE1 GLU A 42 12.282 -14.933 -1.255 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.644 -15.901 -3.228 1.00 0.00 O ATOM 0 H GLU A 42 9.137 -10.687 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 42 11.963 -11.133 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.465 -13.211 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.376 -13.514 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.761 -13.623 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.032 -12.840 -2.652 1.00 0.00 H new ATOM 689 N THR A 43 11.380 -10.732 -5.708 1.00 0.00 N ATOM 690 CA THR A 43 11.060 -10.401 -7.086 1.00 0.00 C ATOM 691 C THR A 43 10.792 -11.674 -7.891 1.00 0.00 C ATOM 692 O THR A 43 11.448 -12.694 -7.685 1.00 0.00 O ATOM 693 CB THR A 43 12.205 -9.557 -7.648 1.00 0.00 C ATOM 694 OG1 THR A 43 11.594 -8.785 -8.678 1.00 0.00 O ATOM 695 CG2 THR A 43 13.249 -10.400 -8.383 1.00 0.00 C ATOM 0 H THR A 43 12.355 -10.582 -5.449 1.00 0.00 H new ATOM 0 HA THR A 43 10.144 -9.814 -7.149 1.00 0.00 H new ATOM 0 HB THR A 43 12.686 -9.012 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.266 -8.207 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.039 -9.752 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.677 -11.130 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.776 -10.920 -9.216 1.00 0.00 H new ATOM 703 N GLY A 44 9.826 -11.573 -8.792 1.00 0.00 N ATOM 704 CA GLY A 44 9.462 -12.704 -9.629 1.00 0.00 C ATOM 705 C GLY A 44 8.811 -13.813 -8.801 1.00 0.00 C ATOM 706 O GLY A 44 8.815 -14.976 -9.202 1.00 0.00 O ATOM 0 H GLY A 44 9.284 -10.726 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.775 -12.377 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.350 -13.092 -10.128 1.00 0.00 H new ATOM 710 N HIS A 45 8.268 -13.415 -7.660 1.00 0.00 N ATOM 711 CA HIS A 45 7.614 -14.360 -6.771 1.00 0.00 C ATOM 712 C HIS A 45 6.171 -14.581 -7.228 1.00 0.00 C ATOM 713 O HIS A 45 5.671 -13.858 -8.089 1.00 0.00 O ATOM 714 CB HIS A 45 7.712 -13.896 -5.317 1.00 0.00 C ATOM 715 CG HIS A 45 7.399 -14.973 -4.306 1.00 0.00 C ATOM 716 ND1 HIS A 45 7.652 -16.314 -4.536 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.851 -14.893 -3.059 1.00 0.00 C ATOM 718 CE1 HIS A 45 7.270 -17.001 -3.470 1.00 0.00 C ATOM 719 NE2 HIS A 45 6.773 -16.119 -2.556 1.00 0.00 N ATOM 0 H HIS A 45 8.268 -12.450 -7.330 1.00 0.00 H new ATOM 0 HA HIS A 45 8.124 -15.322 -6.819 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.719 -13.521 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.028 -13.061 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.534 -13.986 -2.565 1.00 0.00 H new ATOM 0 HE1 HIS A 45 7.340 -18.072 -3.346 1.00 0.00 H new ATOM 0 HE2 HIS A 45 6.402 -16.362 -1.637 1.00 0.00 H new ATOM 727 N HIS A 46 5.541 -15.582 -6.631 1.00 0.00 N ATOM 728 CA HIS A 46 4.165 -15.906 -6.965 1.00 0.00 C ATOM 729 C HIS A 46 3.354 -16.086 -5.681 1.00 0.00 C ATOM 730 O HIS A 46 3.563 -17.045 -4.940 1.00 0.00 O ATOM 731 CB HIS A 46 4.103 -17.129 -7.883 1.00 0.00 C ATOM 732 CG HIS A 46 4.977 -18.276 -7.437 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.463 -19.472 -6.965 1.00 0.00 N ATOM 734 CD2 HIS A 46 6.335 -18.399 -7.397 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.474 -20.270 -6.657 1.00 0.00 C ATOM 736 NE2 HIS A 46 6.634 -19.603 -6.924 1.00 0.00 N ATOM 0 H HIS A 46 5.959 -16.180 -5.918 1.00 0.00 H new ATOM 0 HA HIS A 46 3.718 -15.083 -7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.071 -17.474 -7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.398 -16.831 -8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.046 -17.645 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.394 -21.273 -6.264 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.576 -19.969 -6.783 1.00 0.00 H new ATOM 744 N PHE A 47 2.444 -15.149 -5.457 1.00 0.00 N ATOM 745 CA PHE A 47 1.600 -15.193 -4.275 1.00 0.00 C ATOM 746 C PHE A 47 0.181 -14.720 -4.597 1.00 0.00 C ATOM 747 O PHE A 47 -0.012 -13.868 -5.462 1.00 0.00 O ATOM 748 CB PHE A 47 2.220 -14.243 -3.248 1.00 0.00 C ATOM 749 CG PHE A 47 2.185 -12.770 -3.661 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.978 -12.329 -4.674 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.361 -11.902 -3.015 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.945 -10.962 -5.057 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.328 -10.536 -3.398 1.00 0.00 C ATOM 754 CZ PHE A 47 2.121 -10.094 -4.412 1.00 0.00 C ATOM 0 H PHE A 47 2.273 -14.355 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 47 1.538 -16.214 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.694 -14.356 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.255 -14.537 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.633 -13.018 -5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.732 -12.252 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.575 -10.612 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.674 -9.847 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.096 -9.055 -4.704 1.00 0.00 H new ATOM 764 N HIS A 48 -0.776 -15.296 -3.884 1.00 0.00 N ATOM 765 CA HIS A 48 -2.172 -14.944 -4.083 1.00 0.00 C ATOM 766 C HIS A 48 -2.610 -13.952 -3.004 1.00 0.00 C ATOM 767 O HIS A 48 -1.876 -13.704 -2.049 1.00 0.00 O ATOM 768 CB HIS A 48 -3.047 -16.199 -4.126 1.00 0.00 C ATOM 769 CG HIS A 48 -3.112 -16.856 -5.484 1.00 0.00 C ATOM 770 ND1 HIS A 48 -1.984 -17.138 -6.235 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.180 -17.284 -6.216 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.368 -17.709 -7.367 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.729 -17.799 -7.354 1.00 0.00 N ATOM 0 H HIS A 48 -0.612 -16.004 -3.168 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.294 -14.453 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.666 -16.920 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.057 -15.936 -3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.217 -17.216 -5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.717 -18.044 -8.161 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.305 -18.196 -8.096 1.00 0.00 H new ATOM 781 N LEU A 49 -3.805 -13.412 -3.192 1.00 0.00 N ATOM 782 CA LEU A 49 -4.350 -12.452 -2.247 1.00 0.00 C ATOM 783 C LEU A 49 -5.791 -12.838 -1.909 1.00 0.00 C ATOM 784 O LEU A 49 -6.587 -13.123 -2.802 1.00 0.00 O ATOM 785 CB LEU A 49 -4.205 -11.028 -2.786 1.00 0.00 C ATOM 786 CG LEU A 49 -4.404 -9.902 -1.769 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.060 -9.405 -1.232 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.239 -8.767 -2.364 1.00 0.00 C ATOM 0 H LEU A 49 -4.411 -13.621 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.787 -12.474 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.211 -10.925 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.923 -10.892 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.962 -10.301 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.230 -8.605 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.536 -10.227 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.456 -9.028 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.365 -7.980 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.731 -8.362 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.217 -9.150 -2.657 1.00 0.00 H new ATOM 800 N GLN A 50 -6.083 -12.835 -0.617 1.00 0.00 N ATOM 801 CA GLN A 50 -7.415 -13.181 -0.149 1.00 0.00 C ATOM 802 C GLN A 50 -8.195 -11.916 0.216 1.00 0.00 C ATOM 803 O GLN A 50 -8.379 -11.615 1.395 1.00 0.00 O ATOM 804 CB GLN A 50 -7.347 -14.145 1.036 1.00 0.00 C ATOM 805 CG GLN A 50 -6.821 -15.514 0.601 1.00 0.00 C ATOM 806 CD GLN A 50 -7.903 -16.587 0.738 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.310 -16.958 1.827 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.345 -17.061 -0.423 1.00 0.00 N ATOM 0 H GLN A 50 -5.420 -12.598 0.121 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.942 -13.688 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.699 -13.731 1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.338 -14.256 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.482 -15.465 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.957 -15.785 1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.961 -16.706 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.069 -17.780 -0.438 1.00 0.00 H new ATOM 817 N SER A 51 -8.632 -11.210 -0.816 1.00 0.00 N ATOM 818 CA SER A 51 -9.388 -9.985 -0.618 1.00 0.00 C ATOM 819 C SER A 51 -10.847 -10.316 -0.299 1.00 0.00 C ATOM 820 O SER A 51 -11.299 -11.436 -0.533 1.00 0.00 O ATOM 821 CB SER A 51 -9.305 -9.082 -1.850 1.00 0.00 C ATOM 822 OG SER A 51 -10.469 -9.184 -2.666 1.00 0.00 O ATOM 0 H SER A 51 -8.477 -11.463 -1.792 1.00 0.00 H new ATOM 0 HA SER A 51 -8.953 -9.446 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.174 -8.047 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.426 -9.349 -2.437 1.00 0.00 H new ATOM 0 HG SER A 51 -10.293 -9.794 -3.412 1.00 0.00 H new ATOM 828 N PRO A 52 -11.563 -9.295 0.244 1.00 0.00 N ATOM 829 CA PRO A 52 -12.962 -9.466 0.597 1.00 0.00 C ATOM 830 C PRO A 52 -13.846 -9.468 -0.651 1.00 0.00 C ATOM 831 O PRO A 52 -14.992 -9.913 -0.604 1.00 0.00 O ATOM 832 CB PRO A 52 -13.272 -8.317 1.543 1.00 0.00 C ATOM 833 CG PRO A 52 -12.177 -7.287 1.321 1.00 0.00 C ATOM 834 CD PRO A 52 -11.061 -7.955 0.535 1.00 0.00 C ATOM 0 HA PRO A 52 -13.161 -10.424 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.254 -7.894 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.285 -8.656 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.566 -6.427 0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.803 -6.916 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.839 -7.408 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.138 -7.995 1.114 1.00 0.00 H new ATOM 842 N PHE A 53 -13.281 -8.964 -1.739 1.00 0.00 N ATOM 843 CA PHE A 53 -14.003 -8.902 -2.998 1.00 0.00 C ATOM 844 C PHE A 53 -13.435 -9.903 -4.006 1.00 0.00 C ATOM 845 O PHE A 53 -13.043 -9.523 -5.109 1.00 0.00 O ATOM 846 CB PHE A 53 -13.825 -7.485 -3.547 1.00 0.00 C ATOM 847 CG PHE A 53 -15.056 -6.940 -4.274 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.496 -7.542 -5.411 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.709 -5.853 -3.783 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.638 -7.036 -6.085 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.851 -5.346 -4.457 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.292 -5.949 -5.594 1.00 0.00 C ATOM 0 H PHE A 53 -12.331 -8.595 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.053 -9.146 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.576 -6.816 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.977 -7.476 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.977 -8.405 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -15.359 -5.375 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.988 -7.514 -6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.369 -4.482 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 53 -18.161 -5.565 -6.107 1.00 0.00 H new ATOM 862 N GLY A 54 -13.408 -11.161 -3.592 1.00 0.00 N ATOM 863 CA GLY A 54 -12.894 -12.219 -4.446 1.00 0.00 C ATOM 864 C GLY A 54 -11.365 -12.244 -4.427 1.00 0.00 C ATOM 865 O GLY A 54 -10.724 -11.195 -4.390 1.00 0.00 O ATOM 0 H GLY A 54 -13.734 -11.472 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.281 -13.182 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.246 -12.071 -5.467 1.00 0.00 H new ATOM 869 N PRO A 55 -10.810 -13.485 -4.454 1.00 0.00 N ATOM 870 CA PRO A 55 -9.368 -13.661 -4.441 1.00 0.00 C ATOM 871 C PRO A 55 -8.761 -13.323 -5.804 1.00 0.00 C ATOM 872 O PRO A 55 -9.363 -13.598 -6.841 1.00 0.00 O ATOM 873 CB PRO A 55 -9.152 -15.111 -4.038 1.00 0.00 C ATOM 874 CG PRO A 55 -10.474 -15.816 -4.292 1.00 0.00 C ATOM 875 CD PRO A 55 -11.539 -14.750 -4.498 1.00 0.00 C ATOM 0 HA PRO A 55 -8.869 -12.989 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.350 -15.563 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.865 -15.186 -2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.402 -16.458 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.733 -16.457 -3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.050 -14.880 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.301 -14.795 -3.720 1.00 0.00 H new ATOM 883 N SER A 56 -7.577 -12.730 -5.758 1.00 0.00 N ATOM 884 CA SER A 56 -6.883 -12.352 -6.977 1.00 0.00 C ATOM 885 C SER A 56 -5.388 -12.650 -6.842 1.00 0.00 C ATOM 886 O SER A 56 -4.822 -12.524 -5.757 1.00 0.00 O ATOM 887 CB SER A 56 -7.102 -10.872 -7.299 1.00 0.00 C ATOM 888 OG SER A 56 -8.019 -10.690 -8.373 1.00 0.00 O ATOM 0 H SER A 56 -7.081 -12.502 -4.896 1.00 0.00 H new ATOM 0 HA SER A 56 -7.291 -12.939 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.476 -10.360 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.148 -10.412 -7.555 1.00 0.00 H new ATOM 0 HG SER A 56 -8.371 -9.776 -8.351 1.00 0.00 H new ATOM 894 N PRO A 57 -4.776 -13.050 -7.989 1.00 0.00 N ATOM 895 CA PRO A 57 -3.358 -13.367 -8.008 1.00 0.00 C ATOM 896 C PRO A 57 -2.511 -12.094 -7.959 1.00 0.00 C ATOM 897 O PRO A 57 -2.949 -11.035 -8.406 1.00 0.00 O ATOM 898 CB PRO A 57 -3.152 -14.169 -9.283 1.00 0.00 C ATOM 899 CG PRO A 57 -4.359 -13.876 -10.160 1.00 0.00 C ATOM 900 CD PRO A 57 -5.415 -13.210 -9.292 1.00 0.00 C ATOM 0 HA PRO A 57 -3.043 -13.941 -7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.227 -13.879 -9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.076 -15.235 -9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.080 -13.225 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.748 -14.797 -10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.718 -12.248 -9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.313 -13.823 -9.220 1.00 0.00 H new ATOM 908 N CYS A 58 -1.312 -12.240 -7.413 1.00 0.00 N ATOM 909 CA CYS A 58 -0.400 -11.115 -7.299 1.00 0.00 C ATOM 910 C CYS A 58 1.015 -11.611 -7.607 1.00 0.00 C ATOM 911 O CYS A 58 1.316 -12.790 -7.426 1.00 0.00 O ATOM 912 CB CYS A 58 -0.486 -10.453 -5.922 1.00 0.00 C ATOM 913 SG CYS A 58 -2.148 -9.726 -5.680 1.00 0.00 S ATOM 0 H CYS A 58 -0.952 -13.120 -7.045 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.678 -10.344 -8.017 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.285 -11.188 -5.143 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.275 -9.678 -5.834 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.864 -9.915 -6.748 1.00 0.00 H new ATOM 919 N GLN A 59 1.845 -10.686 -8.066 1.00 0.00 N ATOM 920 CA GLN A 59 3.220 -11.014 -8.400 1.00 0.00 C ATOM 921 C GLN A 59 4.121 -9.794 -8.199 1.00 0.00 C ATOM 922 O GLN A 59 3.801 -8.699 -8.660 1.00 0.00 O ATOM 923 CB GLN A 59 3.325 -11.544 -9.831 1.00 0.00 C ATOM 924 CG GLN A 59 4.786 -11.627 -10.279 1.00 0.00 C ATOM 925 CD GLN A 59 5.036 -12.894 -11.100 1.00 0.00 C ATOM 926 OE1 GLN A 59 5.028 -14.004 -10.594 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.258 -12.667 -12.391 1.00 0.00 N ATOM 0 H GLN A 59 1.591 -9.709 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 59 3.558 -11.804 -7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.866 -12.531 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.770 -10.892 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.039 -10.749 -10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.439 -11.620 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.251 -11.712 -12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.436 -13.448 -13.023 1.00 0.00 H new ATOM 936 N VAL A 60 5.230 -10.024 -7.511 1.00 0.00 N ATOM 937 CA VAL A 60 6.179 -8.957 -7.243 1.00 0.00 C ATOM 938 C VAL A 60 6.936 -8.620 -8.529 1.00 0.00 C ATOM 939 O VAL A 60 7.298 -9.513 -9.293 1.00 0.00 O ATOM 940 CB VAL A 60 7.104 -9.356 -6.092 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.985 -8.180 -5.664 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.302 -9.899 -4.908 1.00 0.00 C ATOM 0 H VAL A 60 5.492 -10.934 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 60 5.659 -8.054 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 60 7.758 -10.152 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.633 -8.490 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.596 -7.857 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.355 -7.354 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.983 -10.175 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.613 -9.133 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.737 -10.777 -5.223 1.00 0.00 H new ATOM 952 N THR A 61 7.153 -7.328 -8.729 1.00 0.00 N ATOM 953 CA THR A 61 7.861 -6.862 -9.909 1.00 0.00 C ATOM 954 C THR A 61 9.248 -6.341 -9.529 1.00 0.00 C ATOM 955 O THR A 61 10.194 -6.457 -10.307 1.00 0.00 O ATOM 956 CB THR A 61 6.987 -5.814 -10.601 1.00 0.00 C ATOM 957 OG1 THR A 61 7.175 -4.636 -9.821 1.00 0.00 O ATOM 958 CG2 THR A 61 5.493 -6.116 -10.467 1.00 0.00 C ATOM 0 H THR A 61 6.851 -6.590 -8.094 1.00 0.00 H new ATOM 0 HA THR A 61 8.036 -7.676 -10.612 1.00 0.00 H new ATOM 0 HB THR A 61 7.252 -5.760 -11.657 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.645 -3.904 -10.201 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.918 -5.342 -10.975 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.276 -7.084 -10.918 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.219 -6.137 -9.412 1.00 0.00 H new ATOM 966 N ASP A 62 9.326 -5.779 -8.331 1.00 0.00 N ATOM 967 CA ASP A 62 10.582 -5.240 -7.838 1.00 0.00 C ATOM 968 C ASP A 62 10.559 -5.225 -6.308 1.00 0.00 C ATOM 969 O ASP A 62 9.589 -4.772 -5.702 1.00 0.00 O ATOM 970 CB ASP A 62 10.793 -3.804 -8.321 1.00 0.00 C ATOM 971 CG ASP A 62 11.907 -3.627 -9.355 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.492 -4.662 -9.742 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.150 -2.461 -9.734 1.00 0.00 O ATOM 0 H ASP A 62 8.540 -5.685 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 62 11.389 -5.869 -8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.859 -3.440 -8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.015 -3.175 -7.459 1.00 0.00 H new ATOM 978 N VAL A 63 11.640 -5.726 -5.727 1.00 0.00 N ATOM 979 CA VAL A 63 11.756 -5.776 -4.280 1.00 0.00 C ATOM 980 C VAL A 63 13.220 -6.001 -3.897 1.00 0.00 C ATOM 981 O VAL A 63 13.760 -7.086 -4.106 1.00 0.00 O ATOM 982 CB VAL A 63 10.820 -6.847 -3.716 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.010 -8.179 -4.443 1.00 0.00 C ATOM 984 CG2 VAL A 63 11.020 -7.011 -2.208 1.00 0.00 C ATOM 0 H VAL A 63 12.443 -6.101 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 63 11.446 -4.828 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 63 9.795 -6.518 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.333 -8.923 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.793 -8.049 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.039 -8.516 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.343 -7.778 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.050 -7.307 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.810 -6.065 -1.708 1.00 0.00 H new ATOM 994 N GLU A 64 13.821 -4.958 -3.345 1.00 0.00 N ATOM 995 CA GLU A 64 15.213 -5.028 -2.931 1.00 0.00 C ATOM 996 C GLU A 64 15.487 -4.018 -1.815 1.00 0.00 C ATOM 997 O GLU A 64 15.581 -2.818 -2.069 1.00 0.00 O ATOM 998 CB GLU A 64 16.150 -4.800 -4.119 1.00 0.00 C ATOM 999 CG GLU A 64 17.603 -5.080 -3.733 1.00 0.00 C ATOM 1000 CD GLU A 64 18.142 -6.304 -4.477 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.508 -7.373 -4.347 1.00 0.00 O ATOM 1002 OE2 GLU A 64 19.177 -6.142 -5.160 1.00 0.00 O ATOM 0 H GLU A 64 13.370 -4.059 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 64 15.407 -6.028 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.859 -5.447 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.055 -3.772 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.218 -4.210 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.672 -5.244 -2.658 1.00 0.00 H new ATOM 1009 N ARG A 65 15.607 -4.540 -0.604 1.00 0.00 N ATOM 1010 CA ARG A 65 15.868 -3.699 0.552 1.00 0.00 C ATOM 1011 C ARG A 65 14.793 -2.618 0.675 1.00 0.00 C ATOM 1012 O ARG A 65 13.980 -2.440 -0.231 1.00 0.00 O ATOM 1013 CB ARG A 65 17.242 -3.033 0.448 1.00 0.00 C ATOM 1014 CG ARG A 65 18.164 -3.500 1.577 1.00 0.00 C ATOM 1015 CD ARG A 65 19.129 -4.580 1.084 1.00 0.00 C ATOM 1016 NE ARG A 65 20.504 -4.038 1.017 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.293 -3.855 2.085 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.847 -4.171 3.309 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.527 -3.358 1.930 1.00 0.00 N ATOM 0 H ARG A 65 15.528 -5.536 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 65 15.851 -4.335 1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.693 -3.269 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.129 -1.950 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.729 -2.652 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.567 -3.889 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.100 -5.439 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.820 -4.933 0.100 1.00 0.00 H new ATOM 0 HE ARG A 65 20.875 -3.788 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.908 -4.551 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.447 -4.032 4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.867 -3.118 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.127 -3.219 2.743 1.00 0.00 H new ATOM 1033 N PRO A 66 14.824 -1.906 1.834 1.00 0.00 N ATOM 1034 CA PRO A 66 13.861 -0.848 2.088 1.00 0.00 C ATOM 1035 C PRO A 66 14.193 0.402 1.270 1.00 0.00 C ATOM 1036 O PRO A 66 14.605 1.420 1.825 1.00 0.00 O ATOM 1037 CB PRO A 66 13.924 -0.610 3.587 1.00 0.00 C ATOM 1038 CG PRO A 66 15.241 -1.212 4.050 1.00 0.00 C ATOM 1039 CD PRO A 66 15.772 -2.090 2.928 1.00 0.00 C ATOM 0 HA PRO A 66 12.850 -1.117 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.880 0.455 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.081 -1.080 4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.956 -0.426 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.095 -1.798 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.778 -1.792 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.826 -3.135 3.234 1.00 0.00 H new ATOM 1047 N ILE A 67 14.000 0.285 -0.035 1.00 0.00 N ATOM 1048 CA ILE A 67 14.274 1.393 -0.935 1.00 0.00 C ATOM 1049 C ILE A 67 13.278 1.360 -2.096 1.00 0.00 C ATOM 1050 O ILE A 67 12.698 2.385 -2.451 1.00 0.00 O ATOM 1051 CB ILE A 67 15.738 1.374 -1.380 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.149 -0.023 -1.849 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.654 1.900 -0.273 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.859 -0.209 -3.339 1.00 0.00 C ATOM 0 H ILE A 67 13.657 -0.560 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 67 14.134 2.344 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 67 15.846 2.045 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.212 -0.176 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.611 -0.776 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.689 1.876 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.377 2.925 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.550 1.274 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.161 -1.210 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.792 -0.080 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.417 0.530 -3.913 1.00 0.00 H new ATOM 1066 N LYS A 68 13.109 0.171 -2.655 1.00 0.00 N ATOM 1067 CA LYS A 68 12.194 -0.009 -3.769 1.00 0.00 C ATOM 1068 C LYS A 68 11.370 -1.279 -3.545 1.00 0.00 C ATOM 1069 O LYS A 68 11.920 -2.332 -3.228 1.00 0.00 O ATOM 1070 CB LYS A 68 12.955 0.004 -5.096 1.00 0.00 C ATOM 1071 CG LYS A 68 12.024 -0.326 -6.265 1.00 0.00 C ATOM 1072 CD LYS A 68 11.436 0.948 -6.874 1.00 0.00 C ATOM 1073 CE LYS A 68 11.240 0.794 -8.384 1.00 0.00 C ATOM 1074 NZ LYS A 68 9.813 0.563 -8.700 1.00 0.00 N ATOM 0 H LYS A 68 13.590 -0.677 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 68 11.492 0.823 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.406 0.984 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.769 -0.720 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.574 -0.878 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.218 -0.974 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.480 1.174 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.098 1.790 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.592 1.690 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.839 -0.039 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.697 0.461 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.489 -0.305 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.249 1.370 -8.367 1.00 0.00 H new ATOM 1088 N LEU A 69 10.064 -1.137 -3.720 1.00 0.00 N ATOM 1089 CA LEU A 69 9.159 -2.260 -3.542 1.00 0.00 C ATOM 1090 C LEU A 69 7.890 -2.022 -4.363 1.00 0.00 C ATOM 1091 O LEU A 69 7.258 -0.974 -4.245 1.00 0.00 O ATOM 1092 CB LEU A 69 8.892 -2.502 -2.055 1.00 0.00 C ATOM 1093 CG LEU A 69 8.150 -3.794 -1.708 1.00 0.00 C ATOM 1094 CD1 LEU A 69 9.085 -5.002 -1.788 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.469 -3.686 -0.342 1.00 0.00 C ATOM 0 H LEU A 69 9.611 -0.262 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 69 9.613 -3.178 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.847 -2.503 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.317 -1.661 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 69 7.364 -3.945 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.532 -5.907 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.482 -5.088 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.908 -4.872 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.949 -4.618 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.220 -3.498 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.752 -2.865 -0.357 1.00 0.00 H new ATOM 1107 N SER A 70 7.556 -3.013 -5.177 1.00 0.00 N ATOM 1108 CA SER A 70 6.375 -2.924 -6.018 1.00 0.00 C ATOM 1109 C SER A 70 5.750 -4.310 -6.190 1.00 0.00 C ATOM 1110 O SER A 70 6.452 -5.320 -6.158 1.00 0.00 O ATOM 1111 CB SER A 70 6.713 -2.321 -7.383 1.00 0.00 C ATOM 1112 OG SER A 70 5.573 -1.735 -8.005 1.00 0.00 O ATOM 0 H SER A 70 8.083 -3.881 -5.272 1.00 0.00 H new ATOM 0 HA SER A 70 5.657 -2.266 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.489 -1.565 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.121 -3.097 -8.031 1.00 0.00 H new ATOM 0 HG SER A 70 4.819 -1.741 -7.379 1.00 0.00 H new ATOM 1118 N PHE A 71 4.438 -4.315 -6.370 1.00 0.00 N ATOM 1119 CA PHE A 71 3.711 -5.560 -6.547 1.00 0.00 C ATOM 1120 C PHE A 71 2.409 -5.331 -7.318 1.00 0.00 C ATOM 1121 O PHE A 71 1.710 -4.346 -7.083 1.00 0.00 O ATOM 1122 CB PHE A 71 3.376 -6.086 -5.150 1.00 0.00 C ATOM 1123 CG PHE A 71 2.154 -5.422 -4.512 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.302 -4.285 -3.781 1.00 0.00 C ATOM 1125 CD2 PHE A 71 0.920 -5.969 -4.675 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.168 -3.669 -3.189 1.00 0.00 C ATOM 1127 CE2 PHE A 71 -0.214 -5.353 -4.083 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.066 -4.216 -3.352 1.00 0.00 C ATOM 0 H PHE A 71 3.859 -3.476 -6.397 1.00 0.00 H new ATOM 0 HA PHE A 71 4.318 -6.267 -7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.203 -7.161 -5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.238 -5.937 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.282 -3.851 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.802 -6.872 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.286 -2.766 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.194 -5.787 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.928 -3.748 -2.901 1.00 0.00 H new ATOM 1138 N THR A 72 2.123 -6.256 -8.223 1.00 0.00 N ATOM 1139 CA THR A 72 0.918 -6.166 -9.030 1.00 0.00 C ATOM 1140 C THR A 72 -0.255 -6.835 -8.311 1.00 0.00 C ATOM 1141 O THR A 72 -0.057 -7.729 -7.489 1.00 0.00 O ATOM 1142 CB THR A 72 1.220 -6.777 -10.400 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.643 -8.105 -10.102 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.439 -6.139 -11.069 1.00 0.00 C ATOM 0 H THR A 72 2.705 -7.071 -8.415 1.00 0.00 H new ATOM 0 HA THR A 72 0.618 -5.129 -9.180 1.00 0.00 H new ATOM 0 HB THR A 72 0.350 -6.665 -11.047 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.595 -8.100 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.610 -6.609 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.261 -5.073 -11.209 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.316 -6.281 -10.438 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.452 -6.378 -8.648 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.658 -6.921 -8.045 1.00 0.00 C ATOM 1154 C TRP A 73 -3.775 -6.863 -9.089 1.00 0.00 C ATOM 1155 O TRP A 73 -3.981 -5.832 -9.727 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.007 -6.179 -6.754 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.276 -6.689 -6.067 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.814 -7.914 -6.133 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.148 -5.932 -5.202 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.965 -8.002 -5.376 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.175 -6.759 -4.792 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -5.073 -4.593 -4.779 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.203 -6.339 -3.940 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -6.109 -4.189 -3.928 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -7.149 -5.009 -3.507 1.00 0.00 C ATOM 0 H TRP A 73 -1.613 -5.638 -9.331 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.509 -7.960 -7.752 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.171 -6.265 -6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.128 -5.119 -6.977 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.399 -8.730 -6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.553 -8.828 -5.266 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.279 -3.929 -5.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.995 -7.005 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -6.099 -3.169 -3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.912 -4.622 -2.848 1.00 0.00 H new ATOM 1176 N ASP A 74 -4.467 -7.984 -9.230 1.00 0.00 N ATOM 1177 CA ASP A 74 -5.558 -8.075 -10.186 1.00 0.00 C ATOM 1178 C ASP A 74 -5.008 -7.883 -11.601 1.00 0.00 C ATOM 1179 O ASP A 74 -3.855 -7.491 -11.775 1.00 0.00 O ATOM 1180 CB ASP A 74 -6.603 -6.986 -9.933 1.00 0.00 C ATOM 1181 CG ASP A 74 -7.885 -7.467 -9.249 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -7.752 -8.165 -8.221 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -8.968 -7.125 -9.771 1.00 0.00 O ATOM 0 H ASP A 74 -4.294 -8.837 -8.698 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.023 -9.055 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.152 -6.206 -9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.867 -6.528 -10.886 1.00 0.00 H new ATOM 1188 N THR A 75 -5.860 -8.168 -12.575 1.00 0.00 N ATOM 1189 CA THR A 75 -5.474 -8.031 -13.970 1.00 0.00 C ATOM 1190 C THR A 75 -6.380 -7.023 -14.678 1.00 0.00 C ATOM 1191 O THR A 75 -6.817 -7.259 -15.803 1.00 0.00 O ATOM 1192 CB THR A 75 -5.500 -9.423 -14.605 1.00 0.00 C ATOM 1193 OG1 THR A 75 -6.772 -9.949 -14.238 1.00 0.00 O ATOM 1194 CG2 THR A 75 -4.499 -10.382 -13.957 1.00 0.00 C ATOM 0 H THR A 75 -6.815 -8.493 -12.426 1.00 0.00 H new ATOM 0 HA THR A 75 -4.464 -7.633 -14.064 1.00 0.00 H new ATOM 0 HB THR A 75 -5.284 -9.339 -15.670 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.873 -10.850 -14.610 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.559 -11.355 -14.445 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.490 -9.983 -14.065 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.734 -10.492 -12.898 1.00 0.00 H new ATOM 1202 N ASP A 76 -6.636 -5.920 -13.989 1.00 0.00 N ATOM 1203 CA ASP A 76 -7.483 -4.874 -14.538 1.00 0.00 C ATOM 1204 C ASP A 76 -6.606 -3.728 -15.046 1.00 0.00 C ATOM 1205 O ASP A 76 -6.687 -3.350 -16.214 1.00 0.00 O ATOM 1206 CB ASP A 76 -8.425 -4.312 -13.472 1.00 0.00 C ATOM 1207 CG ASP A 76 -9.750 -3.763 -14.004 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -10.448 -4.537 -14.694 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -10.035 -2.583 -13.709 1.00 0.00 O ATOM 0 H ASP A 76 -6.272 -5.728 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.072 -5.306 -15.347 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.639 -5.098 -12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.909 -3.516 -12.936 1.00 0.00 H new ATOM 1214 N GLY A 77 -5.788 -3.207 -14.144 1.00 0.00 N ATOM 1215 CA GLY A 77 -4.896 -2.111 -14.486 1.00 0.00 C ATOM 1216 C GLY A 77 -4.624 -1.226 -13.269 1.00 0.00 C ATOM 1217 O GLY A 77 -4.651 0.000 -13.370 1.00 0.00 O ATOM 0 H GLY A 77 -5.724 -3.523 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.956 -2.508 -14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.338 -1.513 -15.283 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.368 -1.880 -12.145 1.00 0.00 N ATOM 1222 CA TRP A 78 -4.091 -1.167 -10.910 1.00 0.00 C ATOM 1223 C TRP A 78 -2.783 -1.713 -10.332 1.00 0.00 C ATOM 1224 O TRP A 78 -2.718 -2.870 -9.920 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.267 -1.279 -9.937 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.378 -0.257 -10.185 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.363 0.793 -11.018 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.677 -0.231 -9.557 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.553 1.491 -10.972 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.377 0.849 -10.056 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.243 -1.091 -8.599 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.680 1.169 -9.657 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.546 -0.758 -8.211 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.264 0.326 -8.703 1.00 0.00 C ATOM 0 H TRP A 78 -4.347 -2.897 -12.064 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.970 -0.100 -11.099 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.688 -2.282 -10.006 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.896 -1.158 -8.919 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.526 1.059 -11.646 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.785 2.325 -11.511 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.714 -1.941 -8.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.207 2.020 -10.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -10.028 -1.388 -7.478 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.267 0.517 -8.351 1.00 0.00 H new ATOM 1245 N SER A 79 -1.775 -0.854 -10.321 1.00 0.00 N ATOM 1246 CA SER A 79 -0.473 -1.236 -9.801 1.00 0.00 C ATOM 1247 C SER A 79 -0.010 -0.221 -8.753 1.00 0.00 C ATOM 1248 O SER A 79 0.032 0.979 -9.022 1.00 0.00 O ATOM 1249 CB SER A 79 0.559 -1.345 -10.925 1.00 0.00 C ATOM 1250 OG SER A 79 -0.012 -1.075 -12.202 1.00 0.00 O ATOM 0 H SER A 79 -1.833 0.105 -10.664 1.00 0.00 H new ATOM 0 HA SER A 79 -0.566 -2.216 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.374 -0.646 -10.737 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.991 -2.346 -10.925 1.00 0.00 H new ATOM 0 HG SER A 79 0.679 -1.153 -12.892 1.00 0.00 H new ATOM 1256 N VAL A 80 0.325 -0.740 -7.581 1.00 0.00 N ATOM 1257 CA VAL A 80 0.783 0.106 -6.492 1.00 0.00 C ATOM 1258 C VAL A 80 2.276 -0.135 -6.258 1.00 0.00 C ATOM 1259 O VAL A 80 2.752 -1.264 -6.371 1.00 0.00 O ATOM 1260 CB VAL A 80 -0.065 -0.144 -5.243 1.00 0.00 C ATOM 1261 CG1 VAL A 80 -0.210 -1.642 -4.969 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.519 0.582 -4.029 1.00 0.00 C ATOM 0 H VAL A 80 0.288 -1.735 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 80 0.659 1.158 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.060 0.260 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.817 -1.791 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.692 -2.123 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.776 -2.081 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.103 0.388 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.531 0.222 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.545 1.654 -4.224 1.00 0.00 H new ATOM 1272 N THR A 81 2.974 0.945 -5.937 1.00 0.00 N ATOM 1273 CA THR A 81 4.403 0.865 -5.686 1.00 0.00 C ATOM 1274 C THR A 81 4.740 1.479 -4.326 1.00 0.00 C ATOM 1275 O THR A 81 4.213 2.530 -3.967 1.00 0.00 O ATOM 1276 CB THR A 81 5.126 1.540 -6.853 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.478 1.019 -8.011 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.575 1.070 -6.994 1.00 0.00 C ATOM 0 H THR A 81 2.576 1.880 -5.845 1.00 0.00 H new ATOM 0 HA THR A 81 4.738 -0.171 -5.632 1.00 0.00 H new ATOM 0 HB THR A 81 5.107 2.621 -6.716 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.711 0.073 -8.119 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.042 1.579 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.123 1.301 -6.081 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.593 -0.006 -7.165 1.00 0.00 H new ATOM 1286 N PHE A 82 5.618 0.795 -3.605 1.00 0.00 N ATOM 1287 CA PHE A 82 6.032 1.260 -2.293 1.00 0.00 C ATOM 1288 C PHE A 82 7.455 1.822 -2.334 1.00 0.00 C ATOM 1289 O PHE A 82 8.260 1.422 -3.174 1.00 0.00 O ATOM 1290 CB PHE A 82 6.002 0.048 -1.359 1.00 0.00 C ATOM 1291 CG PHE A 82 4.593 -0.405 -0.973 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.720 0.482 -0.423 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.212 -1.694 -1.179 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.412 0.062 -0.064 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.904 -2.114 -0.820 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.032 -1.227 -0.270 1.00 0.00 C ATOM 0 H PHE A 82 6.053 -0.077 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 82 5.366 2.053 -1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.520 -0.781 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.557 0.287 -0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.022 1.506 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.904 -2.398 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.719 0.766 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.602 -3.138 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.037 -1.547 0.003 1.00 0.00 H new ATOM 1306 N HIS A 83 7.721 2.740 -1.416 1.00 0.00 N ATOM 1307 CA HIS A 83 9.032 3.360 -1.337 1.00 0.00 C ATOM 1308 C HIS A 83 9.365 3.673 0.123 1.00 0.00 C ATOM 1309 O HIS A 83 8.631 4.401 0.789 1.00 0.00 O ATOM 1310 CB HIS A 83 9.105 4.594 -2.239 1.00 0.00 C ATOM 1311 CG HIS A 83 9.264 4.274 -3.706 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.493 4.019 -4.289 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.337 4.170 -4.701 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.302 3.774 -5.577 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.965 3.869 -5.831 1.00 0.00 N ATOM 0 H HIS A 83 7.051 3.069 -0.721 1.00 0.00 H new ATOM 0 HA HIS A 83 9.788 2.667 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.199 5.185 -2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.942 5.215 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.272 4.309 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.070 3.540 -6.299 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.521 3.731 -6.739 1.00 0.00 H new ATOM 1323 N LEU A 84 10.473 3.106 0.579 1.00 0.00 N ATOM 1324 CA LEU A 84 10.911 3.315 1.948 1.00 0.00 C ATOM 1325 C LEU A 84 12.232 4.088 1.943 1.00 0.00 C ATOM 1326 O LEU A 84 12.929 4.126 0.931 1.00 0.00 O ATOM 1327 CB LEU A 84 10.981 1.983 2.698 1.00 0.00 C ATOM 1328 CG LEU A 84 9.675 1.503 3.334 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.918 0.565 2.392 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.935 0.859 4.698 1.00 0.00 C ATOM 0 H LEU A 84 11.080 2.502 0.024 1.00 0.00 H new ATOM 0 HA LEU A 84 10.187 3.922 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.328 1.216 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.734 2.069 3.482 1.00 0.00 H new ATOM 0 HG LEU A 84 9.038 2.371 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.994 0.239 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.683 1.091 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.537 -0.304 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.991 0.526 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.600 0.004 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.400 1.588 5.362 1.00 0.00 H new ATOM 1342 N LYS A 85 12.535 4.685 3.087 1.00 0.00 N ATOM 1343 CA LYS A 85 13.760 5.454 3.227 1.00 0.00 C ATOM 1344 C LYS A 85 13.897 5.927 4.676 1.00 0.00 C ATOM 1345 O LYS A 85 13.062 6.686 5.166 1.00 0.00 O ATOM 1346 CB LYS A 85 13.799 6.590 2.203 1.00 0.00 C ATOM 1347 CG LYS A 85 12.462 7.332 2.156 1.00 0.00 C ATOM 1348 CD LYS A 85 12.637 8.804 2.536 1.00 0.00 C ATOM 1349 CE LYS A 85 13.251 9.599 1.382 1.00 0.00 C ATOM 1350 NZ LYS A 85 13.284 11.042 1.707 1.00 0.00 N ATOM 0 H LYS A 85 11.954 4.652 3.925 1.00 0.00 H new ATOM 0 HA LYS A 85 14.628 4.831 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.597 7.287 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.031 6.188 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.037 7.259 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.755 6.858 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.671 9.232 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.275 8.883 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.261 9.242 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.672 9.438 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.704 11.567 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.316 11.382 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.856 11.192 2.562 1.00 0.00 H new ATOM 1364 N GLU A 86 14.955 5.458 5.320 1.00 0.00 N ATOM 1365 CA GLU A 86 15.212 5.824 6.703 1.00 0.00 C ATOM 1366 C GLU A 86 15.542 7.314 6.806 1.00 0.00 C ATOM 1367 O GLU A 86 16.323 7.837 6.012 1.00 0.00 O ATOM 1368 CB GLU A 86 16.335 4.971 7.296 1.00 0.00 C ATOM 1369 CG GLU A 86 16.126 4.754 8.796 1.00 0.00 C ATOM 1370 CD GLU A 86 17.147 5.549 9.613 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.698 6.517 9.046 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.354 5.170 10.786 1.00 0.00 O ATOM 0 H GLU A 86 15.644 4.828 4.910 1.00 0.00 H new ATOM 0 HA GLU A 86 14.309 5.632 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.372 4.008 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.295 5.458 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.117 5.058 9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.215 3.693 9.029 1.00 0.00 H new ATOM 1379 N GLU A 87 14.930 7.957 7.790 1.00 0.00 N ATOM 1380 CA GLU A 87 15.149 9.377 8.007 1.00 0.00 C ATOM 1381 C GLU A 87 16.015 9.597 9.249 1.00 0.00 C ATOM 1382 O GLU A 87 16.533 8.642 9.826 1.00 0.00 O ATOM 1383 CB GLU A 87 13.820 10.125 8.125 1.00 0.00 C ATOM 1384 CG GLU A 87 13.715 11.226 7.067 1.00 0.00 C ATOM 1385 CD GLU A 87 14.109 12.585 7.649 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.472 12.980 8.649 1.00 0.00 O ATOM 1387 OE2 GLU A 87 15.039 13.197 7.081 1.00 0.00 O ATOM 0 H GLU A 87 14.282 7.520 8.446 1.00 0.00 H new ATOM 0 HA GLU A 87 15.679 9.779 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.993 9.425 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.731 10.562 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.361 10.987 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.695 11.272 6.685 1.00 0.00 H new ATOM 1394 N GLU A 88 16.145 10.861 9.624 1.00 0.00 N ATOM 1395 CA GLU A 88 16.938 11.218 10.788 1.00 0.00 C ATOM 1396 C GLU A 88 16.705 10.214 11.918 1.00 0.00 C ATOM 1397 O GLU A 88 17.557 9.369 12.188 1.00 0.00 O ATOM 1398 CB GLU A 88 16.626 12.644 11.247 1.00 0.00 C ATOM 1399 CG GLU A 88 17.523 13.658 10.536 1.00 0.00 C ATOM 1400 CD GLU A 88 18.125 14.652 11.532 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.194 14.322 12.087 1.00 0.00 O ATOM 1402 OE2 GLU A 88 17.501 15.720 11.714 1.00 0.00 O ATOM 0 H GLU A 88 15.715 11.650 9.142 1.00 0.00 H new ATOM 0 HA GLU A 88 17.991 11.183 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.580 12.874 11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.767 12.722 12.325 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.322 13.136 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.945 14.196 9.784 1.00 0.00 H new ATOM 1409 N ASN A 89 15.547 10.340 12.549 1.00 0.00 N ATOM 1410 CA ASN A 89 15.191 9.454 13.644 1.00 0.00 C ATOM 1411 C ASN A 89 13.804 8.861 13.385 1.00 0.00 C ATOM 1412 O ASN A 89 12.923 8.937 14.240 1.00 0.00 O ATOM 1413 CB ASN A 89 15.140 10.212 14.972 1.00 0.00 C ATOM 1414 CG ASN A 89 15.563 9.312 16.134 1.00 0.00 C ATOM 1415 OD1 ASN A 89 16.554 9.545 16.805 1.00 0.00 O ATOM 1416 ND2 ASN A 89 14.758 8.272 16.334 1.00 0.00 N ATOM 0 H ASN A 89 14.843 11.043 12.323 1.00 0.00 H new ATOM 0 HA ASN A 89 15.948 8.672 13.704 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.795 11.082 14.924 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.130 10.583 15.144 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.955 7.612 17.086 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.944 8.135 15.735 1.00 0.00 H new ATOM 1423 N GLY A 90 13.654 8.284 12.202 1.00 0.00 N ATOM 1424 CA GLY A 90 12.390 7.679 11.819 1.00 0.00 C ATOM 1425 C GLY A 90 12.461 7.110 10.400 1.00 0.00 C ATOM 1426 O GLY A 90 13.447 7.315 9.695 1.00 0.00 O ATOM 0 H GLY A 90 14.387 8.223 11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.136 6.885 12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.595 8.422 11.877 1.00 0.00 H new ATOM 1430 N THR A 91 11.402 6.407 10.025 1.00 0.00 N ATOM 1431 CA THR A 91 11.332 5.808 8.704 1.00 0.00 C ATOM 1432 C THR A 91 10.275 6.514 7.853 1.00 0.00 C ATOM 1433 O THR A 91 9.211 6.876 8.352 1.00 0.00 O ATOM 1434 CB THR A 91 11.071 4.310 8.877 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.221 3.835 9.571 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.098 3.553 7.548 1.00 0.00 C ATOM 0 H THR A 91 10.586 6.239 10.613 1.00 0.00 H new ATOM 0 HA THR A 91 12.272 5.929 8.165 1.00 0.00 H new ATOM 0 HB THR A 91 10.104 4.164 9.358 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.029 3.793 10.531 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.907 2.495 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.330 3.953 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.076 3.671 7.082 1.00 0.00 H new ATOM 1444 N ILE A 92 10.606 6.691 6.582 1.00 0.00 N ATOM 1445 CA ILE A 92 9.699 7.348 5.656 1.00 0.00 C ATOM 1446 C ILE A 92 9.071 6.301 4.734 1.00 0.00 C ATOM 1447 O ILE A 92 9.760 5.407 4.244 1.00 0.00 O ATOM 1448 CB ILE A 92 10.418 8.473 4.910 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.011 9.489 5.888 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.489 9.134 3.889 1.00 0.00 C ATOM 1451 CD1 ILE A 92 9.906 10.264 6.609 1.00 0.00 C ATOM 0 H ILE A 92 11.490 6.391 6.172 1.00 0.00 H new ATOM 0 HA ILE A 92 8.883 7.827 6.197 1.00 0.00 H new ATOM 0 HB ILE A 92 11.250 8.038 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.636 8.975 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.656 10.184 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.024 9.931 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.157 8.390 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.623 9.552 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.354 10.980 7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.298 10.796 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.278 9.569 7.166 1.00 0.00 H new ATOM 1463 N PHE A 93 7.771 6.445 4.526 1.00 0.00 N ATOM 1464 CA PHE A 93 7.042 5.523 3.672 1.00 0.00 C ATOM 1465 C PHE A 93 6.199 6.279 2.643 1.00 0.00 C ATOM 1466 O PHE A 93 5.317 7.055 3.008 1.00 0.00 O ATOM 1467 CB PHE A 93 6.114 4.712 4.578 1.00 0.00 C ATOM 1468 CG PHE A 93 5.400 3.561 3.866 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.269 3.802 3.150 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.895 2.297 3.950 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.606 2.734 2.489 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.232 1.229 3.290 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.101 1.470 2.573 1.00 0.00 C ATOM 0 H PHE A 93 7.203 7.187 4.935 1.00 0.00 H new ATOM 0 HA PHE A 93 7.741 4.885 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.694 4.308 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.367 5.380 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.875 4.805 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.793 2.106 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.709 2.926 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.625 0.225 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.597 0.658 2.071 1.00 0.00 H new ATOM 1483 N THR A 94 6.499 6.025 1.378 1.00 0.00 N ATOM 1484 CA THR A 94 5.779 6.672 0.294 1.00 0.00 C ATOM 1485 C THR A 94 5.055 5.631 -0.562 1.00 0.00 C ATOM 1486 O THR A 94 5.682 4.719 -1.099 1.00 0.00 O ATOM 1487 CB THR A 94 6.778 7.520 -0.497 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.148 8.556 0.409 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.121 8.262 -1.663 1.00 0.00 C ATOM 0 H THR A 94 7.231 5.380 1.079 1.00 0.00 H new ATOM 0 HA THR A 94 5.000 7.332 0.675 1.00 0.00 H new ATOM 0 HB THR A 94 7.576 6.882 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.796 9.152 -0.022 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.873 8.848 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.676 7.541 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.346 8.926 -1.281 1.00 0.00 H new ATOM 1497 N ILE A 95 3.745 5.801 -0.661 1.00 0.00 N ATOM 1498 CA ILE A 95 2.929 4.887 -1.442 1.00 0.00 C ATOM 1499 C ILE A 95 2.577 5.540 -2.780 1.00 0.00 C ATOM 1500 O ILE A 95 2.441 6.760 -2.863 1.00 0.00 O ATOM 1501 CB ILE A 95 1.707 4.439 -0.637 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.745 3.627 -1.507 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.015 5.634 0.021 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.193 4.547 -2.292 1.00 0.00 C ATOM 0 H ILE A 95 3.228 6.558 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 95 3.486 3.977 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 95 2.048 3.784 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.312 3.004 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.160 2.955 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.150 5.287 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.712 6.133 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.689 6.334 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.866 3.945 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.776 5.151 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.394 5.201 -2.937 1.00 0.00 H new ATOM 1516 N VAL A 96 2.441 4.700 -3.795 1.00 0.00 N ATOM 1517 CA VAL A 96 2.108 5.180 -5.125 1.00 0.00 C ATOM 1518 C VAL A 96 1.194 4.165 -5.816 1.00 0.00 C ATOM 1519 O VAL A 96 1.512 2.978 -5.874 1.00 0.00 O ATOM 1520 CB VAL A 96 3.387 5.466 -5.914 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.066 6.103 -7.267 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.344 6.345 -5.107 1.00 0.00 C ATOM 0 H VAL A 96 2.555 3.689 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 96 1.562 6.121 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 96 3.884 4.514 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.993 6.296 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.441 5.426 -7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.535 7.042 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.245 6.533 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.858 7.293 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.611 5.837 -4.181 1.00 0.00 H new ATOM 1532 N HIS A 97 0.079 4.669 -6.322 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.883 3.821 -7.006 1.00 0.00 C ATOM 1534 C HIS A 97 -1.365 4.516 -8.281 1.00 0.00 C ATOM 1535 O HIS A 97 -2.063 5.527 -8.215 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.031 3.437 -6.070 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.138 2.661 -6.743 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.422 3.159 -6.886 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -3.141 1.421 -7.309 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -5.155 2.250 -7.512 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -4.360 1.173 -7.773 1.00 0.00 N ATOM 0 H HIS A 97 -0.180 5.654 -6.272 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.404 2.887 -7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.633 2.843 -5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.450 4.344 -5.634 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.748 4.070 -6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.295 0.753 -7.370 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.199 2.345 -7.770 1.00 0.00 H new ATOM 1549 N SER A 98 -0.973 3.947 -9.411 1.00 0.00 N ATOM 1550 CA SER A 98 -1.356 4.500 -10.699 1.00 0.00 C ATOM 1551 C SER A 98 -2.376 3.584 -11.379 1.00 0.00 C ATOM 1552 O SER A 98 -2.668 2.498 -10.882 1.00 0.00 O ATOM 1553 CB SER A 98 -0.135 4.695 -11.600 1.00 0.00 C ATOM 1554 OG SER A 98 0.790 5.630 -11.050 1.00 0.00 O ATOM 0 H SER A 98 -0.394 3.109 -9.462 1.00 0.00 H new ATOM 0 HA SER A 98 -1.809 5.477 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.363 3.737 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.460 5.041 -12.581 1.00 0.00 H new ATOM 0 HG SER A 98 1.556 5.726 -11.654 1.00 0.00 H new ATOM 1560 N GLY A 99 -2.890 4.057 -12.505 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.871 3.294 -13.258 1.00 0.00 C ATOM 1562 C GLY A 99 -5.223 4.009 -13.279 1.00 0.00 C ATOM 1563 O GLY A 99 -6.222 3.470 -12.804 1.00 0.00 O ATOM 0 H GLY A 99 -2.646 4.959 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.517 3.147 -14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.986 2.305 -12.815 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.212 5.212 -13.834 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.425 6.006 -13.922 1.00 0.00 C ATOM 1569 C TRP A 100 -6.433 6.707 -15.283 1.00 0.00 C ATOM 1570 O TRP A 100 -5.488 6.575 -16.058 1.00 0.00 O ATOM 1571 CB TRP A 100 -6.530 6.981 -12.748 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.430 6.313 -11.375 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.331 5.868 -10.751 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.523 6.032 -10.474 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.633 5.322 -9.520 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -7.008 5.425 -9.346 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.900 6.282 -10.608 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.801 5.018 -8.266 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.678 5.869 -9.520 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -9.175 5.257 -8.378 1.00 0.00 C ATOM 0 H TRP A 100 -4.382 5.656 -14.227 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.307 5.370 -13.851 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.740 7.727 -12.836 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -7.479 7.513 -12.814 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.333 5.929 -11.160 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.969 4.917 -8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.324 6.755 -11.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -7.375 4.545 -7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.743 6.038 -9.572 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.842 4.967 -7.580 1.00 0.00 H new ATOM 1591 N LYS A 101 -7.511 7.436 -15.530 1.00 0.00 N ATOM 1592 CA LYS A 101 -7.655 8.158 -16.784 1.00 0.00 C ATOM 1593 C LYS A 101 -7.995 9.620 -16.489 1.00 0.00 C ATOM 1594 O LYS A 101 -7.916 10.061 -15.343 1.00 0.00 O ATOM 1595 CB LYS A 101 -8.671 7.460 -17.690 1.00 0.00 C ATOM 1596 CG LYS A 101 -8.267 6.008 -17.952 1.00 0.00 C ATOM 1597 CD LYS A 101 -9.229 5.340 -18.936 1.00 0.00 C ATOM 1598 CE LYS A 101 -8.555 5.110 -20.291 1.00 0.00 C ATOM 1599 NZ LYS A 101 -8.501 3.665 -20.603 1.00 0.00 N ATOM 0 H LYS A 101 -8.293 7.543 -14.884 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.715 8.154 -17.336 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.657 7.489 -17.226 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.748 7.996 -18.636 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.253 5.975 -18.350 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.259 5.454 -17.013 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.569 4.388 -18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.113 5.964 -19.067 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.105 5.636 -21.071 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.546 5.523 -20.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.041 3.526 -21.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.957 3.171 -19.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.467 3.281 -20.636 1.00 0.00 H new ATOM 1613 N GLN A 102 -8.366 10.332 -17.543 1.00 0.00 N ATOM 1614 CA GLN A 102 -8.718 11.735 -17.412 1.00 0.00 C ATOM 1615 C GLN A 102 -9.638 11.941 -16.206 1.00 0.00 C ATOM 1616 O GLN A 102 -10.488 11.100 -15.919 1.00 0.00 O ATOM 1617 CB GLN A 102 -9.369 12.259 -18.694 1.00 0.00 C ATOM 1618 CG GLN A 102 -8.355 13.017 -19.553 1.00 0.00 C ATOM 1619 CD GLN A 102 -7.916 14.313 -18.868 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -6.741 14.568 -18.660 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -8.922 15.115 -18.531 1.00 0.00 N ATOM 0 H GLN A 102 -8.430 9.963 -18.492 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.804 12.305 -17.249 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -9.783 11.426 -19.263 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.201 12.917 -18.441 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.485 12.386 -19.737 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -8.794 13.245 -20.524 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.883 14.841 -18.734 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.732 16.004 -18.069 1.00 0.00 H new ATOM 1630 N GLY A 103 -9.436 13.065 -15.534 1.00 0.00 N ATOM 1631 CA GLY A 103 -10.236 13.392 -14.366 1.00 0.00 C ATOM 1632 C GLY A 103 -11.636 13.858 -14.773 1.00 0.00 C ATOM 1633 O GLY A 103 -12.076 14.935 -14.375 1.00 0.00 O ATOM 0 H GLY A 103 -8.730 13.760 -15.776 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.314 12.519 -13.718 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.742 14.174 -13.790 1.00 0.00 H new ATOM 1637 N ASP A 104 -12.296 13.023 -15.562 1.00 0.00 N ATOM 1638 CA ASP A 104 -13.637 13.336 -16.028 1.00 0.00 C ATOM 1639 C ASP A 104 -14.358 12.039 -16.400 1.00 0.00 C ATOM 1640 O ASP A 104 -15.511 11.835 -16.023 1.00 0.00 O ATOM 1641 CB ASP A 104 -13.594 14.227 -17.271 1.00 0.00 C ATOM 1642 CG ASP A 104 -12.324 14.101 -18.114 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -12.306 13.202 -18.983 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -11.398 14.905 -17.870 1.00 0.00 O ATOM 0 H ASP A 104 -11.928 12.130 -15.890 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.159 13.860 -15.227 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.453 13.991 -17.899 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -13.703 15.266 -16.959 1.00 0.00 H new ATOM 1649 N THR A 105 -13.649 11.195 -17.137 1.00 0.00 N ATOM 1650 CA THR A 105 -14.208 9.924 -17.564 1.00 0.00 C ATOM 1651 C THR A 105 -14.741 9.144 -16.361 1.00 0.00 C ATOM 1652 O THR A 105 -14.583 9.573 -15.219 1.00 0.00 O ATOM 1653 CB THR A 105 -13.128 9.172 -18.345 1.00 0.00 C ATOM 1654 OG1 THR A 105 -12.033 9.095 -17.437 1.00 0.00 O ATOM 1655 CG2 THR A 105 -12.581 9.986 -19.520 1.00 0.00 C ATOM 0 H THR A 105 -12.693 11.367 -17.449 1.00 0.00 H new ATOM 0 HA THR A 105 -15.065 10.070 -18.222 1.00 0.00 H new ATOM 0 HB THR A 105 -13.536 8.231 -18.714 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.207 8.922 -17.935 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.818 9.407 -20.040 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.392 10.220 -20.210 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.143 10.912 -19.148 1.00 0.00 H new ATOM 1663 N LYS A 106 -15.363 8.013 -16.658 1.00 0.00 N ATOM 1664 CA LYS A 106 -15.921 7.169 -15.615 1.00 0.00 C ATOM 1665 C LYS A 106 -15.340 5.759 -15.740 1.00 0.00 C ATOM 1666 O LYS A 106 -15.015 5.313 -16.839 1.00 0.00 O ATOM 1667 CB LYS A 106 -17.450 7.209 -15.654 1.00 0.00 C ATOM 1668 CG LYS A 106 -18.050 6.241 -14.633 1.00 0.00 C ATOM 1669 CD LYS A 106 -19.534 5.998 -14.914 1.00 0.00 C ATOM 1670 CE LYS A 106 -20.261 5.525 -13.653 1.00 0.00 C ATOM 1671 NZ LYS A 106 -20.855 4.187 -13.869 1.00 0.00 N ATOM 0 H LYS A 106 -15.493 7.661 -17.606 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.640 7.544 -14.631 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.796 8.222 -15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -17.799 6.951 -16.654 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.511 5.294 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.928 6.645 -13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.993 6.916 -15.280 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.641 5.252 -15.701 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -19.564 5.489 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -21.042 6.238 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -21.344 3.881 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.535 4.232 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -20.103 3.507 -14.101 1.00 0.00 H new ATOM 1685 N VAL A 107 -15.226 5.098 -14.598 1.00 0.00 N ATOM 1686 CA VAL A 107 -14.689 3.748 -14.565 1.00 0.00 C ATOM 1687 C VAL A 107 -15.777 2.761 -14.992 1.00 0.00 C ATOM 1688 O VAL A 107 -16.770 2.584 -14.289 1.00 0.00 O ATOM 1689 CB VAL A 107 -14.118 3.445 -13.178 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -13.491 2.050 -13.136 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -13.108 4.513 -12.755 1.00 0.00 C ATOM 0 H VAL A 107 -15.496 5.472 -13.688 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.864 3.648 -15.270 1.00 0.00 H new ATOM 0 HB VAL A 107 -14.943 3.463 -12.465 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.093 1.860 -12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.249 1.303 -13.372 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -12.684 1.992 -13.866 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.718 4.273 -11.766 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.287 4.542 -13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.598 5.486 -12.726 1.00 0.00 H new ATOM 1701 N GLU A 108 -15.552 2.143 -16.143 1.00 0.00 N ATOM 1702 CA GLU A 108 -16.501 1.179 -16.673 1.00 0.00 C ATOM 1703 C GLU A 108 -16.291 -0.187 -16.016 1.00 0.00 C ATOM 1704 O GLU A 108 -15.963 -1.161 -16.692 1.00 0.00 O ATOM 1705 CB GLU A 108 -16.388 1.078 -18.195 1.00 0.00 C ATOM 1706 CG GLU A 108 -15.055 0.451 -18.606 1.00 0.00 C ATOM 1707 CD GLU A 108 -14.532 1.073 -19.903 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -15.209 0.885 -20.936 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -13.467 1.724 -19.831 1.00 0.00 O ATOM 0 H GLU A 108 -14.726 2.292 -16.723 1.00 0.00 H new ATOM 0 HA GLU A 108 -17.508 1.523 -16.439 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -17.211 0.479 -18.585 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -16.478 2.070 -18.636 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.323 0.591 -17.811 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -15.180 -0.624 -18.739 1.00 0.00 H new ATOM 1716 N LYS A 109 -16.489 -0.215 -14.706 1.00 0.00 N ATOM 1717 CA LYS A 109 -16.326 -1.446 -13.951 1.00 0.00 C ATOM 1718 C LYS A 109 -16.736 -1.204 -12.497 1.00 0.00 C ATOM 1719 O LYS A 109 -17.731 -1.756 -12.029 1.00 0.00 O ATOM 1720 CB LYS A 109 -14.903 -1.985 -14.107 1.00 0.00 C ATOM 1721 CG LYS A 109 -14.775 -3.380 -13.491 1.00 0.00 C ATOM 1722 CD LYS A 109 -13.814 -3.368 -12.300 1.00 0.00 C ATOM 1723 CE LYS A 109 -14.132 -4.506 -11.328 1.00 0.00 C ATOM 1724 NZ LYS A 109 -15.375 -4.216 -10.579 1.00 0.00 N ATOM 0 H LYS A 109 -16.761 0.595 -14.148 1.00 0.00 H new ATOM 0 HA LYS A 109 -16.981 -2.224 -14.343 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.639 -2.024 -15.164 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.198 -1.306 -13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.755 -3.730 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.418 -4.082 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.788 -3.464 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.884 -2.412 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.241 -5.441 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.304 -4.640 -10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.402 -4.794 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.399 -3.208 -10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.199 -4.442 -11.172 1.00 0.00 H new ATOM 1738 N ALA A 110 -15.949 -0.380 -11.822 1.00 0.00 N ATOM 1739 CA ALA A 110 -16.218 -0.059 -10.431 1.00 0.00 C ATOM 1740 C ALA A 110 -17.680 0.365 -10.283 1.00 0.00 C ATOM 1741 O ALA A 110 -18.454 -0.292 -9.589 1.00 0.00 O ATOM 1742 CB ALA A 110 -15.246 1.025 -9.960 1.00 0.00 C ATOM 0 H ALA A 110 -15.124 0.075 -12.213 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.063 -0.933 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.448 1.266 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.222 0.663 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -15.375 1.919 -10.570 1.00 0.00 H new ATOM 1748 N GLY A 111 -18.015 1.462 -10.948 1.00 0.00 N ATOM 1749 CA GLY A 111 -19.371 1.981 -10.900 1.00 0.00 C ATOM 1750 C GLY A 111 -19.398 3.391 -10.305 1.00 0.00 C ATOM 1751 O GLY A 111 -20.144 3.658 -9.364 1.00 0.00 O ATOM 0 H GLY A 111 -17.370 2.005 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -19.793 1.998 -11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -19.997 1.318 -10.302 1.00 0.00 H new ATOM 1755 N ALA A 112 -18.574 4.256 -10.878 1.00 0.00 N ATOM 1756 CA ALA A 112 -18.493 5.631 -10.416 1.00 0.00 C ATOM 1757 C ALA A 112 -17.334 6.335 -11.125 1.00 0.00 C ATOM 1758 O ALA A 112 -16.398 5.685 -11.588 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.343 5.650 -8.893 1.00 0.00 C ATOM 0 H ALA A 112 -17.957 4.031 -11.658 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.407 6.173 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.282 6.682 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -19.205 5.164 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.435 5.118 -8.610 1.00 0.00 H new ATOM 1765 N GLU A 113 -17.435 7.655 -11.186 1.00 0.00 N ATOM 1766 CA GLU A 113 -16.407 8.454 -11.831 1.00 0.00 C ATOM 1767 C GLU A 113 -15.025 8.072 -11.297 1.00 0.00 C ATOM 1768 O GLU A 113 -14.900 7.606 -10.166 1.00 0.00 O ATOM 1769 CB GLU A 113 -16.674 9.949 -11.640 1.00 0.00 C ATOM 1770 CG GLU A 113 -17.808 10.423 -12.551 1.00 0.00 C ATOM 1771 CD GLU A 113 -18.360 11.771 -12.083 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -18.808 11.827 -10.917 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -18.322 12.715 -12.901 1.00 0.00 O ATOM 0 H GLU A 113 -18.212 8.191 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.432 8.247 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -16.932 10.146 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -15.768 10.515 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -17.444 10.511 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -18.607 9.682 -12.559 1.00 0.00 H new ATOM 1780 N SER A 114 -14.022 8.284 -12.136 1.00 0.00 N ATOM 1781 CA SER A 114 -12.654 7.968 -11.763 1.00 0.00 C ATOM 1782 C SER A 114 -12.177 8.921 -10.665 1.00 0.00 C ATOM 1783 O SER A 114 -11.262 8.596 -9.910 1.00 0.00 O ATOM 1784 CB SER A 114 -11.721 8.044 -12.973 1.00 0.00 C ATOM 1785 OG SER A 114 -12.062 7.087 -13.972 1.00 0.00 O ATOM 0 H SER A 114 -14.130 8.671 -13.074 1.00 0.00 H new ATOM 0 HA SER A 114 -12.631 6.946 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.764 9.046 -13.401 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.693 7.879 -12.649 1.00 0.00 H new ATOM 0 HG SER A 114 -11.444 7.169 -14.728 1.00 0.00 H new ATOM 1791 N ALA A 115 -12.820 10.078 -10.611 1.00 0.00 N ATOM 1792 CA ALA A 115 -12.473 11.081 -9.617 1.00 0.00 C ATOM 1793 C ALA A 115 -13.083 10.689 -8.270 1.00 0.00 C ATOM 1794 O ALA A 115 -12.424 10.784 -7.235 1.00 0.00 O ATOM 1795 CB ALA A 115 -12.945 12.456 -10.093 1.00 0.00 C ATOM 0 H ALA A 115 -13.579 10.344 -11.239 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.392 11.135 -9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -12.685 13.208 -9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -12.461 12.700 -11.039 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.026 12.442 -10.232 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.334 10.257 -8.326 1.00 0.00 N ATOM 1802 CA VAL A 116 -15.040 9.851 -7.122 1.00 0.00 C ATOM 1803 C VAL A 116 -14.271 8.716 -6.444 1.00 0.00 C ATOM 1804 O VAL A 116 -13.939 8.805 -5.263 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.483 9.475 -7.464 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.120 8.662 -6.335 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.314 10.720 -7.780 1.00 0.00 C ATOM 0 H VAL A 116 -14.877 10.179 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.093 10.677 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.464 8.850 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.145 8.408 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.548 7.747 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.121 9.251 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.335 10.424 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.321 11.382 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -16.878 11.242 -8.632 1.00 0.00 H new ATOM 1817 N VAL A 117 -14.010 7.674 -7.220 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.286 6.523 -6.708 1.00 0.00 C ATOM 1819 C VAL A 117 -11.869 6.948 -6.320 1.00 0.00 C ATOM 1820 O VAL A 117 -11.371 6.570 -5.261 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.310 5.390 -7.737 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.775 4.090 -7.134 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.718 5.194 -8.303 1.00 0.00 C ATOM 0 H VAL A 117 -14.287 7.603 -8.199 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.767 6.138 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.654 5.671 -8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.803 3.301 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.747 4.239 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.393 3.802 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.708 4.383 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -15.404 4.945 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.047 6.113 -8.788 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.258 7.729 -7.200 1.00 0.00 N ATOM 1834 CA HIS A 118 -9.907 8.209 -6.962 1.00 0.00 C ATOM 1835 C HIS A 118 -9.805 8.772 -5.543 1.00 0.00 C ATOM 1836 O HIS A 118 -8.915 8.391 -4.784 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.495 9.221 -8.033 1.00 0.00 C ATOM 1838 CG HIS A 118 -8.356 10.123 -7.619 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -8.283 11.455 -7.988 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -7.248 9.870 -6.866 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -7.176 11.971 -7.474 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -6.535 10.987 -6.780 1.00 0.00 N ATOM 0 H HIS A 118 -11.673 8.041 -8.078 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.203 7.380 -7.038 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -9.209 8.682 -8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.358 9.836 -8.288 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -6.993 8.922 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -6.840 12.991 -7.585 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -5.653 11.092 -6.278 1.00 0.00 H new ATOM 1850 N GLU A 119 -10.727 9.669 -5.229 1.00 0.00 N ATOM 1851 CA GLU A 119 -10.752 10.288 -3.914 1.00 0.00 C ATOM 1852 C GLU A 119 -11.119 9.254 -2.848 1.00 0.00 C ATOM 1853 O GLU A 119 -10.440 9.140 -1.829 1.00 0.00 O ATOM 1854 CB GLU A 119 -11.718 11.474 -3.885 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.128 12.680 -4.617 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.005 13.920 -4.428 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -11.841 14.576 -3.377 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -12.820 14.183 -5.339 1.00 0.00 O ATOM 0 H GLU A 119 -11.463 9.983 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.755 10.669 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.663 11.189 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.938 11.743 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.124 12.880 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.035 12.455 -5.679 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.194 8.528 -3.119 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.660 7.507 -2.195 1.00 0.00 C ATOM 1867 C ARG A 120 -11.508 6.579 -1.804 1.00 0.00 C ATOM 1868 O ARG A 120 -11.169 6.466 -0.627 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.787 6.678 -2.814 1.00 0.00 C ATOM 1870 CG ARG A 120 -15.126 6.986 -2.142 1.00 0.00 C ATOM 1871 CD ARG A 120 -16.021 5.745 -2.107 1.00 0.00 C ATOM 1872 NE ARG A 120 -15.772 4.976 -0.868 1.00 0.00 N ATOM 1873 CZ ARG A 120 -16.285 3.763 -0.620 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -17.080 3.175 -1.525 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -16.005 3.139 0.532 1.00 0.00 N ATOM 0 H ARG A 120 -12.756 8.626 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 120 -13.041 8.012 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.855 6.889 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.561 5.617 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.954 7.343 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.631 7.788 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -17.069 6.041 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.824 5.120 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.172 5.395 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -17.294 3.651 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.471 2.252 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.401 3.587 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -16.396 2.216 0.720 1.00 0.00 H new ATOM 1889 N MET A 121 -10.938 5.938 -2.814 1.00 0.00 N ATOM 1890 CA MET A 121 -9.832 5.023 -2.591 1.00 0.00 C ATOM 1891 C MET A 121 -8.647 5.743 -1.944 1.00 0.00 C ATOM 1892 O MET A 121 -8.025 5.218 -1.022 1.00 0.00 O ATOM 1893 CB MET A 121 -9.394 4.416 -3.925 1.00 0.00 C ATOM 1894 CG MET A 121 -9.830 2.954 -4.032 1.00 0.00 C ATOM 1895 SD MET A 121 -8.830 2.105 -5.243 1.00 0.00 S ATOM 1896 CE MET A 121 -8.763 0.481 -4.507 1.00 0.00 C ATOM 0 H MET A 121 -11.222 6.034 -3.789 1.00 0.00 H new ATOM 0 HA MET A 121 -10.167 4.235 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.823 4.988 -4.747 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.310 4.484 -4.021 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.734 2.466 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.882 2.899 -4.314 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.172 -0.181 -5.140 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.303 0.547 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.773 0.083 -4.410 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.370 6.935 -2.452 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.271 7.732 -1.936 1.00 0.00 C ATOM 1908 C ASP A 122 -7.447 7.918 -0.427 1.00 0.00 C ATOM 1909 O ASP A 122 -6.513 7.699 0.342 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.244 9.118 -2.583 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.151 10.054 -2.063 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.913 10.022 -0.836 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.578 10.779 -2.904 1.00 0.00 O ATOM 0 H ASP A 122 -8.888 7.368 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.341 7.211 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.117 8.998 -3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.212 9.594 -2.428 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.651 8.322 -0.049 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.962 8.540 1.353 1.00 0.00 C ATOM 1920 C ARG A 123 -8.574 7.312 2.180 1.00 0.00 C ATOM 1921 O ARG A 123 -7.794 7.417 3.125 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.451 8.828 1.549 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.752 10.315 1.354 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.514 11.098 2.647 1.00 0.00 C ATOM 1925 NE ARG A 123 -9.738 12.325 2.360 1.00 0.00 N ATOM 1926 CZ ARG A 123 -9.468 13.273 3.268 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -9.911 13.141 4.526 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -8.757 14.353 2.918 1.00 0.00 N ATOM 0 H ARG A 123 -9.423 8.504 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.389 9.405 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -11.035 8.239 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.756 8.520 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.121 10.716 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.786 10.441 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.468 11.360 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -9.977 10.477 3.364 1.00 0.00 H new ATOM 0 HE ARG A 123 -9.387 12.457 1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.453 12.319 4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -9.706 13.862 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -8.421 14.454 1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -8.552 15.074 3.609 1.00 0.00 H new ATOM 1942 N GLY A 124 -9.136 6.176 1.793 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.859 4.930 2.487 1.00 0.00 C ATOM 1944 C GLY A 124 -7.378 4.561 2.380 1.00 0.00 C ATOM 1945 O GLY A 124 -6.779 4.094 3.348 1.00 0.00 O ATOM 0 H GLY A 124 -9.782 6.093 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.139 5.024 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.468 4.131 2.064 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.829 4.785 1.195 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.429 4.482 0.949 1.00 0.00 C ATOM 1951 C TRP A 125 -4.594 5.230 1.990 1.00 0.00 C ATOM 1952 O TRP A 125 -3.797 4.623 2.704 1.00 0.00 O ATOM 1953 CB TRP A 125 -5.039 4.824 -0.490 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.878 3.604 -1.398 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.547 3.319 -2.524 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.957 2.508 -1.211 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -5.127 2.125 -3.074 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -4.129 1.616 -2.250 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -3.010 2.278 -0.198 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.390 0.434 -2.376 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -2.279 1.092 -0.338 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.441 0.184 -1.378 1.00 0.00 C ATOM 0 H TRP A 125 -7.328 5.173 0.395 1.00 0.00 H new ATOM 0 HA TRP A 125 -5.241 3.414 1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.797 5.482 -0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -4.103 5.382 -0.479 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.318 3.945 -2.948 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.483 1.695 -3.928 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.858 2.962 0.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.544 -0.248 -3.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.538 0.867 0.414 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.837 -0.711 -1.416 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.804 6.537 2.042 1.00 0.00 N ATOM 1974 CA HIS A 126 -4.080 7.374 2.984 1.00 0.00 C ATOM 1975 C HIS A 126 -4.325 6.875 4.409 1.00 0.00 C ATOM 1976 O HIS A 126 -3.379 6.625 5.154 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.453 8.847 2.799 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.417 9.813 3.322 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -3.671 11.161 3.499 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -2.123 9.611 3.703 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -2.572 11.736 3.966 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.614 10.774 4.092 1.00 0.00 N ATOM 0 H HIS A 126 -5.465 7.037 1.447 1.00 0.00 H new ATOM 0 HA HIS A 126 -3.010 7.303 2.791 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.612 9.040 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.400 9.038 3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.601 8.666 3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.456 12.783 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.663 10.923 4.429 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.600 6.743 4.745 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.981 6.278 6.067 1.00 0.00 C ATOM 1992 C ASP A 127 -5.265 4.959 6.365 1.00 0.00 C ATOM 1993 O ASP A 127 -4.833 4.724 7.492 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.488 6.027 6.150 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.364 7.183 5.662 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.895 8.336 5.774 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.482 6.887 5.188 1.00 0.00 O ATOM 0 H ASP A 127 -6.382 6.950 4.124 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.703 7.047 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.726 5.139 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.748 5.806 7.185 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.163 4.133 5.335 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.507 2.843 5.472 1.00 0.00 C ATOM 2004 C LEU A 128 -3.034 3.060 5.826 1.00 0.00 C ATOM 2005 O LEU A 128 -2.520 2.446 6.759 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.718 1.998 4.214 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.937 0.684 4.150 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.471 -0.322 5.172 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.938 0.114 2.730 1.00 0.00 C ATOM 0 H LEU A 128 -5.523 4.331 4.402 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.952 2.275 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.780 1.771 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.449 2.600 3.346 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.900 0.890 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.898 -1.247 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.375 0.093 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.521 -0.529 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.376 -0.820 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.964 -0.074 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.474 0.829 2.051 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.398 3.936 5.063 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.995 4.242 5.284 1.00 0.00 C ATOM 2023 C VAL A 129 -0.882 5.487 6.166 1.00 0.00 C ATOM 2024 O VAL A 129 -0.017 6.333 5.944 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.273 4.392 3.943 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.859 5.549 3.132 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.232 4.572 4.148 1.00 0.00 C ATOM 0 H VAL A 129 -2.829 4.444 4.290 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.505 3.424 5.811 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.426 3.474 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.328 5.634 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.916 5.361 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.751 6.478 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.721 4.676 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.414 5.466 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.635 3.702 4.666 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.768 5.560 7.148 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.778 6.688 8.065 1.00 0.00 C ATOM 2039 C ASN A 130 -1.579 6.180 9.494 1.00 0.00 C ATOM 2040 O ASN A 130 -0.551 6.446 10.114 1.00 0.00 O ATOM 2041 CB ASN A 130 -3.115 7.431 8.009 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.912 8.894 7.612 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.267 9.814 8.330 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.323 9.058 6.431 1.00 0.00 N ATOM 0 H ASN A 130 -2.484 4.857 7.329 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.976 7.366 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.776 6.944 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.605 7.379 8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.144 9.997 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -2.051 8.244 5.880 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.580 5.457 9.976 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.528 4.909 11.321 1.00 0.00 C ATOM 2053 C GLU A 131 -2.611 3.382 11.275 1.00 0.00 C ATOM 2054 O GLU A 131 -1.978 2.698 12.079 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.640 5.493 12.194 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.978 5.492 11.452 1.00 0.00 C ATOM 2057 CD GLU A 131 -6.134 5.188 12.406 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -6.213 5.883 13.442 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.913 4.268 12.078 1.00 0.00 O ATOM 0 H GLU A 131 -3.432 5.238 9.459 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.575 5.188 11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.729 4.912 13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.382 6.511 12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.137 6.462 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.955 4.749 10.655 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.397 2.892 10.328 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.571 1.458 10.167 1.00 0.00 C ATOM 2068 C ARG A 132 -2.215 0.779 9.962 1.00 0.00 C ATOM 2069 O ARG A 132 -1.987 -0.322 10.461 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.477 1.143 8.976 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.835 1.834 9.122 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.882 0.870 9.685 1.00 0.00 C ATOM 2073 NE ARG A 132 -8.236 1.293 9.265 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.777 1.004 8.074 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.082 0.290 7.178 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.013 1.429 7.778 1.00 0.00 N ATOM 0 H ARG A 132 -3.921 3.462 9.664 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.039 1.077 11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.997 1.468 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.620 0.065 8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.739 2.697 9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.163 2.208 8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.683 -0.142 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.820 0.848 10.773 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.792 1.839 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -7.141 -0.033 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.494 0.070 6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.542 1.973 8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.424 1.209 6.871 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.352 1.463 9.226 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.025 0.939 8.948 1.00 0.00 C ATOM 2092 C LEU A 133 0.910 1.292 10.106 1.00 0.00 C ATOM 2093 O LEU A 133 1.811 0.523 10.438 1.00 0.00 O ATOM 2094 CB LEU A 133 0.470 1.429 7.586 1.00 0.00 C ATOM 2095 CG LEU A 133 1.962 1.238 7.306 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.353 -0.238 7.405 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.349 1.844 5.956 1.00 0.00 C ATOM 0 H LEU A 133 -1.545 2.376 8.813 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.051 -0.148 8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.094 0.913 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.237 2.490 7.497 1.00 0.00 H new ATOM 0 HG LEU A 133 2.524 1.773 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.418 -0.347 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.136 -0.605 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.784 -0.815 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.415 1.694 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.780 1.359 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.128 2.911 5.960 1.00 0.00 H new ATOM 2109 N ARG A 134 0.665 2.456 10.690 1.00 0.00 N ATOM 2110 CA ARG A 134 1.474 2.920 11.804 1.00 0.00 C ATOM 2111 C ARG A 134 1.263 2.022 13.024 1.00 0.00 C ATOM 2112 O ARG A 134 2.194 1.779 13.790 1.00 0.00 O ATOM 2113 CB ARG A 134 1.126 4.363 12.174 1.00 0.00 C ATOM 2114 CG ARG A 134 2.221 4.986 13.041 1.00 0.00 C ATOM 2115 CD ARG A 134 1.627 5.961 14.059 1.00 0.00 C ATOM 2116 NE ARG A 134 0.781 6.960 13.369 1.00 0.00 N ATOM 2117 CZ ARG A 134 0.158 7.973 13.987 1.00 0.00 C ATOM 2118 NH1 ARG A 134 0.283 8.127 15.313 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -0.590 8.832 13.281 1.00 0.00 N ATOM 0 H ARG A 134 -0.083 3.092 10.412 1.00 0.00 H new ATOM 0 HA ARG A 134 2.518 2.878 11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.995 4.953 11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.177 4.386 12.709 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.769 4.200 13.562 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.938 5.508 12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 134 1.035 5.416 14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 134 2.427 6.463 14.603 1.00 0.00 H new ATOM 0 HE ARG A 134 0.665 6.872 12.359 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.852 7.473 15.851 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.191 8.898 15.784 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -0.686 8.715 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.064 9.603 13.752 1.00 0.00 H new ATOM 2133 N GLN A 135 0.032 1.553 13.168 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.314 0.687 14.282 1.00 0.00 C ATOM 2135 C GLN A 135 0.436 -0.642 14.174 1.00 0.00 C ATOM 2136 O GLN A 135 0.433 -1.439 15.111 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.825 0.459 14.351 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.378 0.858 15.721 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.457 -0.123 16.183 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -4.619 -0.023 15.824 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -3.010 -1.074 16.999 1.00 0.00 N ATOM 0 H GLN A 135 -0.738 1.757 12.531 1.00 0.00 H new ATOM 0 HA GLN A 135 -0.011 1.179 15.206 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.320 1.039 13.572 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -2.047 -0.590 14.157 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.569 0.884 16.450 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.794 1.864 15.670 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -2.024 -1.100 17.260 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -3.653 -1.777 17.364 1.00 0.00 H new ATOM 2150 N ILE A 136 1.062 -0.840 13.023 1.00 0.00 N ATOM 2151 CA ILE A 136 1.815 -2.059 12.780 1.00 0.00 C ATOM 2152 C ILE A 136 3.214 -1.917 13.383 1.00 0.00 C ATOM 2153 O ILE A 136 3.853 -2.914 13.717 1.00 0.00 O ATOM 2154 CB ILE A 136 1.819 -2.398 11.288 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.432 -2.196 10.676 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.351 -3.813 11.049 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.568 -3.210 11.237 1.00 0.00 C ATOM 0 H ILE A 136 1.063 -0.177 12.248 1.00 0.00 H new ATOM 0 HA ILE A 136 1.339 -2.906 13.274 1.00 0.00 H new ATOM 0 HB ILE A 136 2.497 -1.710 10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.084 -1.184 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.490 -2.299 9.592 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.343 -4.029 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.371 -3.887 11.427 1.00 0.00 H new ATOM 0 HG23 ILE A 136 1.718 -4.532 11.569 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.546 -3.044 10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.229 -4.220 11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.642 -3.088 12.318 1.00 0.00 H new ATOM 2169 N VAL A 137 3.648 -0.672 13.503 1.00 0.00 N ATOM 2170 CA VAL A 137 4.960 -0.387 14.059 1.00 0.00 C ATOM 2171 C VAL A 137 4.796 0.254 15.439 1.00 0.00 C ATOM 2172 O VAL A 137 5.703 0.191 16.268 1.00 0.00 O ATOM 2173 CB VAL A 137 5.763 0.482 13.089 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.006 -0.252 11.769 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.067 1.824 12.850 1.00 0.00 C ATOM 0 H VAL A 137 3.115 0.152 13.225 1.00 0.00 H new ATOM 0 HA VAL A 137 5.526 -1.309 14.193 1.00 0.00 H new ATOM 0 HB VAL A 137 6.733 0.684 13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.579 0.387 11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.563 -1.169 11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.049 -0.498 11.308 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.659 2.422 12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.078 1.650 12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.968 2.356 13.796 1.00 0.00 H new ATOM 2185 N GLU A 138 3.633 0.854 15.643 1.00 0.00 N ATOM 2186 CA GLU A 138 3.338 1.505 16.908 1.00 0.00 C ATOM 2187 C GLU A 138 2.509 0.580 17.801 1.00 0.00 C ATOM 2188 O GLU A 138 1.889 1.031 18.763 1.00 0.00 O ATOM 2189 CB GLU A 138 2.621 2.839 16.685 1.00 0.00 C ATOM 2190 CG GLU A 138 3.626 3.976 16.492 1.00 0.00 C ATOM 2191 CD GLU A 138 3.709 4.852 17.744 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.900 4.269 18.833 1.00 0.00 O ATOM 2193 OE2 GLU A 138 3.580 6.085 17.583 1.00 0.00 O ATOM 0 H GLU A 138 2.883 0.903 14.953 1.00 0.00 H new ATOM 0 HA GLU A 138 4.280 1.717 17.413 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.975 2.767 15.810 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.978 3.058 17.538 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.609 3.563 16.267 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.332 4.585 15.637 1.00 0.00 H new TER 2200 GLU A 138