USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 55 HIS : no HE2:sc= -0.214 K(o=0.94,f=-4.1) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= 1.15 F(o=-0.86,f=0.94) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -1.15! C(o=-1.1!,f=-5.2!) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.225 F(o=-1.2,f=-0.22) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0187 (180deg=-0.128) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0651 K(o=-0.065,f=-2.3) USER MOD Single : A 32 GLN : amide:sc= 1.11 K(o=1.1,f=-5.3!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0759 F(o=-2,f=-0.076) USER MOD Single : A 57 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.3!) USER MOD Single : A 60 SER OG : rot -120:sc= -0.365 USER MOD Single : A 62 SER OG : rot -120:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 67 HIS : no HD1:sc=-0.00528 X(o=-0.0053,f=-0.12) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.04 F(o=-2.5!,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ -146:sc= 0.796 (180deg=-0.307) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 75 THR OG1 : rot 48:sc= 0.415 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc=-0.00477 (180deg=-0.127) USER MOD Single : A 80 ASN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.129 (180deg=-0.898) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 16.229 -9.860 4.336 1.00 0.00 N ATOM 2 CA PHE A 1 15.693 -9.496 3.004 1.00 0.00 C ATOM 3 C PHE A 1 14.278 -8.954 3.120 1.00 0.00 C ATOM 4 O PHE A 1 13.960 -7.908 2.555 1.00 0.00 O ATOM 5 CB PHE A 1 15.708 -10.698 2.055 1.00 0.00 C ATOM 6 CG PHE A 1 15.126 -10.387 0.706 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.855 -9.672 -0.228 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.841 -10.792 0.380 1.00 0.00 C ATOM 9 CE1 PHE A 1 15.319 -9.372 -1.464 1.00 0.00 C ATOM 10 CE2 PHE A 1 13.300 -10.492 -0.853 1.00 0.00 C ATOM 11 CZ PHE A 1 14.039 -9.782 -1.776 1.00 0.00 C ATOM 0 H1 PHE A 1 17.196 -10.228 4.232 1.00 0.00 H new ATOM 0 H2 PHE A 1 16.242 -9.018 4.947 1.00 0.00 H new ATOM 0 H3 PHE A 1 15.625 -10.590 4.765 1.00 0.00 H new ATOM 0 HA PHE A 1 16.338 -8.719 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.734 -11.043 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.148 -11.517 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 1 16.856 -9.345 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 1 13.257 -11.348 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.900 -8.817 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 1 12.298 -10.813 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.616 -9.547 -2.742 1.00 0.00 H new ATOM 23 N LEU A 2 13.423 -9.680 3.837 1.00 0.00 N ATOM 24 CA LEU A 2 12.042 -9.259 4.019 1.00 0.00 C ATOM 25 C LEU A 2 11.998 -7.908 4.710 1.00 0.00 C ATOM 26 O LEU A 2 12.713 -7.678 5.687 1.00 0.00 O ATOM 27 CB LEU A 2 11.257 -10.286 4.842 1.00 0.00 C ATOM 28 CG LEU A 2 9.785 -9.935 5.085 1.00 0.00 C ATOM 29 CD1 LEU A 2 9.001 -9.981 3.780 1.00 0.00 C ATOM 30 CD2 LEU A 2 9.173 -10.871 6.114 1.00 0.00 C ATOM 0 H LEU A 2 13.663 -10.558 4.298 1.00 0.00 H new ATOM 0 HA LEU A 2 11.579 -9.180 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.306 -11.249 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.749 -10.409 5.807 1.00 0.00 H new ATOM 0 HG LEU A 2 9.735 -8.919 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.958 -9.729 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.423 -9.264 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.059 -10.983 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.128 -10.605 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.235 -11.898 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.716 -10.782 7.055 1.00 0.00 H new ATOM 42 N LEU A 3 11.172 -7.016 4.189 1.00 0.00 N ATOM 43 CA LEU A 3 11.037 -5.687 4.755 1.00 0.00 C ATOM 44 C LEU A 3 10.332 -5.764 6.099 1.00 0.00 C ATOM 45 O LEU A 3 9.172 -6.173 6.180 1.00 0.00 O ATOM 46 CB LEU A 3 10.280 -4.749 3.802 1.00 0.00 C ATOM 47 CG LEU A 3 11.070 -4.270 2.573 1.00 0.00 C ATOM 48 CD1 LEU A 3 12.368 -3.601 3.002 1.00 0.00 C ATOM 49 CD2 LEU A 3 11.350 -5.420 1.616 1.00 0.00 C ATOM 0 H LEU A 3 10.584 -7.190 3.374 1.00 0.00 H new ATOM 0 HA LEU A 3 12.036 -5.275 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.381 -5.260 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.954 -3.875 4.365 1.00 0.00 H new ATOM 0 HG LEU A 3 10.460 -3.538 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.915 -3.268 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.143 -2.743 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.977 -4.313 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.910 -5.050 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.934 -6.185 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.407 -5.849 1.277 1.00 0.00 H new ATOM 61 N PRO A 4 11.048 -5.393 7.171 1.00 0.00 N ATOM 62 CA PRO A 4 10.531 -5.454 8.538 1.00 0.00 C ATOM 63 C PRO A 4 9.223 -4.689 8.692 1.00 0.00 C ATOM 64 O PRO A 4 9.060 -3.603 8.130 1.00 0.00 O ATOM 65 CB PRO A 4 11.634 -4.797 9.372 1.00 0.00 C ATOM 66 CG PRO A 4 12.872 -4.936 8.557 1.00 0.00 C ATOM 67 CD PRO A 4 12.430 -4.876 7.123 1.00 0.00 C ATOM 0 HA PRO A 4 10.305 -6.476 8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.408 -3.749 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.742 -5.288 10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.579 -4.137 8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.377 -5.878 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.465 -3.859 6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.065 -5.486 6.480 1.00 0.00 H new ATOM 75 N PRO A 5 8.270 -5.259 9.442 1.00 0.00 N ATOM 76 CA PRO A 5 6.969 -4.632 9.682 1.00 0.00 C ATOM 77 C PRO A 5 7.110 -3.218 10.240 1.00 0.00 C ATOM 78 O PRO A 5 7.677 -3.025 11.319 1.00 0.00 O ATOM 79 CB PRO A 5 6.311 -5.562 10.707 1.00 0.00 C ATOM 80 CG PRO A 5 6.973 -6.881 10.498 1.00 0.00 C ATOM 81 CD PRO A 5 8.389 -6.567 10.111 1.00 0.00 C ATOM 0 HA PRO A 5 6.389 -4.517 8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.461 -5.200 11.724 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.235 -5.629 10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.939 -7.484 11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.471 -7.452 9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.043 -6.517 10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.802 -7.324 9.445 1.00 0.00 H new ATOM 89 N SER A 6 6.627 -2.244 9.467 1.00 0.00 N ATOM 90 CA SER A 6 6.647 -0.830 9.849 1.00 0.00 C ATOM 91 C SER A 6 8.046 -0.233 9.688 1.00 0.00 C ATOM 92 O SER A 6 8.352 0.831 10.223 1.00 0.00 O ATOM 93 CB SER A 6 6.120 -0.640 11.278 1.00 0.00 C ATOM 94 OG SER A 6 4.780 -1.103 11.385 1.00 0.00 O ATOM 0 H SER A 6 6.208 -2.414 8.553 1.00 0.00 H new ATOM 0 HA SER A 6 5.981 -0.291 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.754 -1.181 11.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.169 0.414 11.552 1.00 0.00 H new ATOM 0 HG SER A 6 4.462 -0.975 12.303 1.00 0.00 H new ATOM 100 N THR A 7 8.885 -0.920 8.927 1.00 0.00 N ATOM 101 CA THR A 7 10.201 -0.414 8.578 1.00 0.00 C ATOM 102 C THR A 7 10.387 -0.501 7.063 1.00 0.00 C ATOM 103 O THR A 7 10.960 -1.461 6.544 1.00 0.00 O ATOM 104 CB THR A 7 11.314 -1.202 9.296 1.00 0.00 C ATOM 105 OG1 THR A 7 10.990 -1.339 10.687 1.00 0.00 O ATOM 106 CG2 THR A 7 12.659 -0.500 9.156 1.00 0.00 C ATOM 0 H THR A 7 8.673 -1.838 8.537 1.00 0.00 H new ATOM 0 HA THR A 7 10.271 0.625 8.901 1.00 0.00 H new ATOM 0 HB THR A 7 11.387 -2.186 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.699 -1.842 11.140 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.426 -1.077 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.917 -0.415 8.100 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.597 0.496 9.596 1.00 0.00 H new ATOM 114 N ALA A 8 9.863 0.491 6.360 1.00 0.00 N ATOM 115 CA ALA A 8 9.811 0.452 4.907 1.00 0.00 C ATOM 116 C ALA A 8 11.008 1.140 4.268 1.00 0.00 C ATOM 117 O ALA A 8 11.110 2.366 4.259 1.00 0.00 O ATOM 118 CB ALA A 8 8.519 1.081 4.416 1.00 0.00 C ATOM 0 H ALA A 8 9.467 1.335 6.774 1.00 0.00 H new ATOM 0 HA ALA A 8 9.844 -0.595 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.489 1.047 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.670 0.530 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.470 2.118 4.748 1.00 0.00 H new ATOM 124 N CYS A 9 11.921 0.337 3.755 1.00 0.00 N ATOM 125 CA CYS A 9 13.016 0.835 2.942 1.00 0.00 C ATOM 126 C CYS A 9 13.310 -0.177 1.846 1.00 0.00 C ATOM 127 O CYS A 9 14.272 -0.947 1.915 1.00 0.00 O ATOM 128 CB CYS A 9 14.264 1.110 3.789 1.00 0.00 C ATOM 129 SG CYS A 9 15.642 1.905 2.885 1.00 0.00 S ATOM 0 H CYS A 9 11.926 -0.674 3.889 1.00 0.00 H new ATOM 0 HA CYS A 9 12.726 1.785 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.984 1.746 4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.618 0.168 4.207 1.00 0.00 H new ATOM 134 N CYS A 10 12.427 -0.210 0.864 1.00 0.00 N ATOM 135 CA CYS A 10 12.522 -1.161 -0.226 1.00 0.00 C ATOM 136 C CYS A 10 13.443 -0.644 -1.316 1.00 0.00 C ATOM 137 O CYS A 10 13.189 0.406 -1.901 1.00 0.00 O ATOM 138 CB CYS A 10 11.136 -1.411 -0.813 1.00 0.00 C ATOM 139 SG CYS A 10 9.891 -1.915 0.416 1.00 0.00 S ATOM 0 H CYS A 10 11.627 0.420 0.801 1.00 0.00 H new ATOM 0 HA CYS A 10 12.932 -2.092 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.794 -0.503 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.211 -2.184 -1.578 1.00 0.00 H new ATOM 144 N THR A 11 14.521 -1.371 -1.574 1.00 0.00 N ATOM 145 CA THR A 11 15.387 -1.060 -2.693 1.00 0.00 C ATOM 146 C THR A 11 14.800 -1.628 -3.977 1.00 0.00 C ATOM 147 O THR A 11 14.828 -0.992 -5.029 1.00 0.00 O ATOM 148 CB THR A 11 16.801 -1.621 -2.470 1.00 0.00 C ATOM 149 OG1 THR A 11 16.724 -3.000 -2.080 1.00 0.00 O ATOM 150 CG2 THR A 11 17.528 -0.825 -1.401 1.00 0.00 C ATOM 0 H THR A 11 14.813 -2.178 -1.023 1.00 0.00 H new ATOM 0 HA THR A 11 15.460 0.024 -2.777 1.00 0.00 H new ATOM 0 HB THR A 11 17.357 -1.540 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.628 -3.352 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.527 -1.237 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.606 0.216 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.973 -0.882 -0.464 1.00 0.00 H new ATOM 158 N GLN A 12 14.268 -2.837 -3.866 1.00 0.00 N ATOM 159 CA GLN A 12 13.572 -3.480 -4.968 1.00 0.00 C ATOM 160 C GLN A 12 12.083 -3.143 -4.935 1.00 0.00 C ATOM 161 O GLN A 12 11.544 -2.769 -3.892 1.00 0.00 O ATOM 162 CB GLN A 12 13.798 -5.005 -4.950 1.00 0.00 C ATOM 163 CG GLN A 12 13.836 -5.655 -3.563 1.00 0.00 C ATOM 164 CD GLN A 12 12.524 -5.563 -2.805 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.399 -4.553 -1.955 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 11.646 -6.412 -2.955 1.00 0.00 N flip ATOM 0 H GLN A 12 14.307 -3.396 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 12 13.984 -3.096 -5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.006 -5.478 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.738 -5.220 -5.458 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.109 -6.705 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.620 -5.182 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.781 -7.174 -3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.783 -6.354 -2.415 1.00 0.00 H new ATOM 175 N LEU A 13 11.431 -3.246 -6.083 1.00 0.00 N ATOM 176 CA LEU A 13 10.008 -2.960 -6.183 1.00 0.00 C ATOM 177 C LEU A 13 9.308 -4.025 -7.023 1.00 0.00 C ATOM 178 O LEU A 13 9.919 -4.641 -7.899 1.00 0.00 O ATOM 179 CB LEU A 13 9.788 -1.564 -6.777 1.00 0.00 C ATOM 180 CG LEU A 13 10.342 -0.407 -5.935 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.219 0.910 -6.677 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.616 -0.319 -4.604 1.00 0.00 C ATOM 0 H LEU A 13 11.867 -3.527 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 13 9.575 -2.979 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.249 -1.529 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.718 -1.410 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 13 11.398 -0.605 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.618 1.714 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.780 0.856 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.170 1.108 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.023 0.507 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.554 -0.150 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.750 -1.251 -4.054 1.00 0.00 H new ATOM 194 N TYR A 14 8.026 -4.242 -6.744 1.00 0.00 N ATOM 195 CA TYR A 14 7.265 -5.302 -7.393 1.00 0.00 C ATOM 196 C TYR A 14 6.872 -4.900 -8.815 1.00 0.00 C ATOM 197 O TYR A 14 7.040 -5.679 -9.753 1.00 0.00 O ATOM 198 CB TYR A 14 6.023 -5.631 -6.558 1.00 0.00 C ATOM 199 CG TYR A 14 5.496 -7.032 -6.768 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.213 -8.134 -6.315 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.283 -7.257 -7.407 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.739 -9.418 -6.497 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.803 -8.540 -7.591 1.00 0.00 C ATOM 204 CZ TYR A 14 4.534 -9.618 -7.134 1.00 0.00 C ATOM 205 OH TYR A 14 4.060 -10.896 -7.320 1.00 0.00 O ATOM 0 H TYR A 14 7.491 -3.695 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 14 7.891 -6.192 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.261 -5.498 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.235 -4.917 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.157 -7.983 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.707 -6.417 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.311 -10.262 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.859 -8.699 -8.091 1.00 0.00 H new ATOM 0 HH TYR A 14 3.198 -10.861 -7.784 1.00 0.00 H new ATOM 215 N ARG A 15 6.338 -3.682 -8.954 1.00 0.00 N ATOM 216 CA ARG A 15 5.994 -3.095 -10.262 1.00 0.00 C ATOM 217 C ARG A 15 4.832 -3.816 -10.952 1.00 0.00 C ATOM 218 O ARG A 15 4.505 -3.514 -12.101 1.00 0.00 O ATOM 219 CB ARG A 15 7.206 -3.090 -11.200 1.00 0.00 C ATOM 220 CG ARG A 15 8.389 -2.292 -10.688 1.00 0.00 C ATOM 221 CD ARG A 15 9.551 -2.369 -11.659 1.00 0.00 C ATOM 222 NE ARG A 15 10.750 -1.729 -11.131 1.00 0.00 N ATOM 223 CZ ARG A 15 11.973 -2.232 -11.274 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.150 -3.367 -11.941 1.00 0.00 N ATOM 225 NH2 ARG A 15 13.016 -1.597 -10.758 1.00 0.00 N ATOM 0 H ARG A 15 6.130 -3.071 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 15 5.680 -2.072 -10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.523 -4.119 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.901 -2.687 -12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.097 -1.252 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.697 -2.673 -9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.767 -3.414 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.270 -1.893 -12.598 1.00 0.00 H new ATOM 0 HE ARG A 15 10.645 -0.849 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.348 -3.852 -12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.088 -3.753 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.881 -0.722 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.954 -1.983 -10.868 1.00 0.00 H new ATOM 239 N LYS A 16 4.205 -4.753 -10.262 1.00 0.00 N ATOM 240 CA LYS A 16 3.107 -5.508 -10.849 1.00 0.00 C ATOM 241 C LYS A 16 1.819 -5.282 -10.075 1.00 0.00 C ATOM 242 O LYS A 16 1.849 -4.991 -8.877 1.00 0.00 O ATOM 243 CB LYS A 16 3.434 -7.002 -10.890 1.00 0.00 C ATOM 244 CG LYS A 16 4.591 -7.356 -11.810 1.00 0.00 C ATOM 245 CD LYS A 16 4.676 -8.857 -12.031 1.00 0.00 C ATOM 246 CE LYS A 16 4.958 -9.598 -10.736 1.00 0.00 C ATOM 247 NZ LYS A 16 4.835 -11.069 -10.901 1.00 0.00 N ATOM 0 H LYS A 16 4.434 -5.009 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 16 2.968 -5.152 -11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.669 -7.340 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.547 -7.549 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.465 -6.851 -12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.525 -6.995 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.740 -9.216 -12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.462 -9.075 -12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.962 -9.354 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.265 -9.260 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.035 -11.538 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.869 -11.304 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.514 -11.396 -11.617 1.00 0.00 H new ATOM 261 N PRO A 17 0.671 -5.383 -10.764 1.00 0.00 N ATOM 262 CA PRO A 17 -0.646 -5.285 -10.136 1.00 0.00 C ATOM 263 C PRO A 17 -0.907 -6.442 -9.186 1.00 0.00 C ATOM 264 O PRO A 17 -0.795 -7.613 -9.565 1.00 0.00 O ATOM 265 CB PRO A 17 -1.629 -5.335 -11.316 1.00 0.00 C ATOM 266 CG PRO A 17 -0.803 -5.058 -12.525 1.00 0.00 C ATOM 267 CD PRO A 17 0.567 -5.587 -12.215 1.00 0.00 C ATOM 0 HA PRO A 17 -0.740 -4.381 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.113 -6.309 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.420 -4.594 -11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.221 -5.547 -13.405 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.770 -3.990 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.665 -6.639 -12.484 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.342 -5.045 -12.757 1.00 0.00 H new ATOM 275 N LEU A 18 -1.243 -6.112 -7.951 1.00 0.00 N ATOM 276 CA LEU A 18 -1.519 -7.120 -6.944 1.00 0.00 C ATOM 277 C LEU A 18 -2.909 -7.706 -7.151 1.00 0.00 C ATOM 278 O LEU A 18 -3.849 -6.993 -7.514 1.00 0.00 O ATOM 279 CB LEU A 18 -1.388 -6.529 -5.538 1.00 0.00 C ATOM 280 CG LEU A 18 -0.018 -5.927 -5.215 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.046 -5.486 -3.760 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.092 -6.924 -5.515 1.00 0.00 C ATOM 0 H LEU A 18 -1.331 -5.151 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.786 -7.920 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.146 -5.756 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.606 -7.310 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 18 0.125 -5.051 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.028 -5.061 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.721 -4.735 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.122 -6.346 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.057 -6.476 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.950 -7.820 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.065 -7.191 -6.571 1.00 0.00 H new ATOM 294 N SER A 19 -3.028 -9.006 -6.938 1.00 0.00 N ATOM 295 CA SER A 19 -4.286 -9.702 -7.133 1.00 0.00 C ATOM 296 C SER A 19 -5.294 -9.305 -6.053 1.00 0.00 C ATOM 297 O SER A 19 -4.921 -9.063 -4.904 1.00 0.00 O ATOM 298 CB SER A 19 -4.036 -11.209 -7.104 1.00 0.00 C ATOM 299 OG SER A 19 -2.901 -11.545 -7.892 1.00 0.00 O ATOM 0 H SER A 19 -2.262 -9.603 -6.628 1.00 0.00 H new ATOM 0 HA SER A 19 -4.704 -9.424 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.882 -11.537 -6.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.914 -11.736 -7.478 1.00 0.00 H new ATOM 0 HG SER A 19 -2.756 -12.514 -7.860 1.00 0.00 H new ATOM 305 N ASP A 20 -6.569 -9.261 -6.431 1.00 0.00 N ATOM 306 CA ASP A 20 -7.651 -8.847 -5.529 1.00 0.00 C ATOM 307 C ASP A 20 -7.678 -9.713 -4.278 1.00 0.00 C ATOM 308 O ASP A 20 -7.999 -9.249 -3.182 1.00 0.00 O ATOM 309 CB ASP A 20 -8.995 -8.967 -6.252 1.00 0.00 C ATOM 310 CG ASP A 20 -10.168 -8.480 -5.422 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.749 -9.286 -4.669 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.525 -7.289 -5.538 1.00 0.00 O ATOM 0 H ASP A 20 -6.885 -9.510 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.474 -7.813 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.953 -8.396 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.160 -10.009 -6.526 1.00 0.00 H new ATOM 317 N LYS A 21 -7.307 -10.966 -4.461 1.00 0.00 N ATOM 318 CA LYS A 21 -7.330 -11.955 -3.393 1.00 0.00 C ATOM 319 C LYS A 21 -6.301 -11.633 -2.315 1.00 0.00 C ATOM 320 O LYS A 21 -6.552 -11.829 -1.130 1.00 0.00 O ATOM 321 CB LYS A 21 -7.071 -13.344 -3.971 1.00 0.00 C ATOM 322 CG LYS A 21 -8.122 -13.784 -4.979 1.00 0.00 C ATOM 323 CD LYS A 21 -9.498 -13.927 -4.339 1.00 0.00 C ATOM 324 CE LYS A 21 -9.491 -14.951 -3.213 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.075 -16.300 -3.681 1.00 0.00 N ATOM 0 H LYS A 21 -6.980 -11.330 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.316 -11.933 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.092 -13.353 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.034 -14.067 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.173 -13.058 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.826 -14.736 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.821 -12.961 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.223 -14.224 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.815 -14.617 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.487 -15.012 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.246 -16.997 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.625 -16.560 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.062 -16.288 -3.918 1.00 0.00 H new ATOM 339 N LEU A 22 -5.137 -11.157 -2.731 1.00 0.00 N ATOM 340 CA LEU A 22 -4.117 -10.720 -1.785 1.00 0.00 C ATOM 341 C LEU A 22 -4.545 -9.391 -1.196 1.00 0.00 C ATOM 342 O LEU A 22 -4.354 -9.114 -0.014 1.00 0.00 O ATOM 343 CB LEU A 22 -2.756 -10.544 -2.474 1.00 0.00 C ATOM 344 CG LEU A 22 -2.543 -11.373 -3.738 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.202 -11.036 -4.368 1.00 0.00 C ATOM 346 CD2 LEU A 22 -2.626 -12.862 -3.439 1.00 0.00 C ATOM 0 H LEU A 22 -4.874 -11.063 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.012 -11.478 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.631 -9.491 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.972 -10.796 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.338 -11.126 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.062 -11.634 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.178 -9.978 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.402 -11.254 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.470 -13.427 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.858 -13.131 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.609 -13.097 -3.031 1.00 0.00 H new ATOM 358 N LEU A 23 -5.152 -8.589 -2.055 1.00 0.00 N ATOM 359 CA LEU A 23 -5.535 -7.232 -1.727 1.00 0.00 C ATOM 360 C LEU A 23 -6.595 -7.176 -0.627 1.00 0.00 C ATOM 361 O LEU A 23 -6.520 -6.335 0.263 1.00 0.00 O ATOM 362 CB LEU A 23 -6.013 -6.522 -2.995 1.00 0.00 C ATOM 363 CG LEU A 23 -4.888 -6.047 -3.925 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.447 -5.275 -5.110 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.883 -5.194 -3.166 1.00 0.00 C ATOM 0 H LEU A 23 -5.393 -8.867 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.660 -6.717 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.664 -7.197 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.617 -5.661 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.376 -6.931 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.628 -4.951 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.121 -5.917 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.994 -4.403 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.095 -4.869 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.387 -4.321 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.446 -5.780 -2.357 1.00 0.00 H new ATOM 377 N ARG A 24 -7.570 -8.077 -0.673 1.00 0.00 N ATOM 378 CA ARG A 24 -8.612 -8.136 0.360 1.00 0.00 C ATOM 379 C ARG A 24 -8.043 -8.544 1.724 1.00 0.00 C ATOM 380 O ARG A 24 -8.780 -8.650 2.703 1.00 0.00 O ATOM 381 CB ARG A 24 -9.708 -9.120 -0.051 1.00 0.00 C ATOM 382 CG ARG A 24 -9.187 -10.516 -0.332 1.00 0.00 C ATOM 383 CD ARG A 24 -10.304 -11.475 -0.701 1.00 0.00 C ATOM 384 NE ARG A 24 -11.132 -11.840 0.448 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.317 -12.439 0.345 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.885 -12.586 -0.849 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.955 -12.852 1.435 1.00 0.00 N ATOM 0 H ARG A 24 -7.666 -8.776 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.031 -7.134 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.456 -9.171 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.211 -8.742 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.461 -10.476 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.662 -10.891 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.932 -11.019 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.875 -12.377 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.782 -11.623 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.413 -12.240 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.793 -13.045 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.537 -12.711 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.862 -13.310 1.352 1.00 0.00 H new ATOM 401 N LYS A 25 -6.739 -8.775 1.776 1.00 0.00 N ATOM 402 CA LYS A 25 -6.077 -9.178 3.007 1.00 0.00 C ATOM 403 C LYS A 25 -5.039 -8.143 3.430 1.00 0.00 C ATOM 404 O LYS A 25 -4.189 -8.405 4.284 1.00 0.00 O ATOM 405 CB LYS A 25 -5.420 -10.541 2.830 1.00 0.00 C ATOM 406 CG LYS A 25 -6.410 -11.641 2.496 1.00 0.00 C ATOM 407 CD LYS A 25 -5.745 -13.002 2.496 1.00 0.00 C ATOM 408 CE LYS A 25 -4.568 -13.052 1.538 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.910 -14.383 1.547 1.00 0.00 N ATOM 0 H LYS A 25 -6.115 -8.689 0.973 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.830 -9.248 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.675 -10.478 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.890 -10.804 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.224 -11.632 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.852 -11.450 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.404 -13.241 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.474 -13.763 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.910 -12.822 0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.843 -12.286 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.111 -14.380 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.562 -14.592 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.596 -15.111 1.262 1.00 0.00 H new ATOM 423 N VAL A 26 -5.113 -6.968 2.820 1.00 0.00 N ATOM 424 CA VAL A 26 -4.250 -5.867 3.176 1.00 0.00 C ATOM 425 C VAL A 26 -4.742 -5.215 4.462 1.00 0.00 C ATOM 426 O VAL A 26 -5.939 -5.013 4.648 1.00 0.00 O ATOM 427 CB VAL A 26 -4.185 -4.839 2.031 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.648 -3.508 2.513 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.323 -5.378 0.904 1.00 0.00 C ATOM 0 H VAL A 26 -5.771 -6.759 2.070 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.243 -6.248 3.343 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.198 -4.674 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.615 -2.806 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.299 -3.115 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.643 -3.644 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.281 -4.647 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.316 -5.568 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.753 -6.307 0.530 1.00 0.00 H new ATOM 439 N ILE A 27 -3.818 -4.911 5.354 1.00 0.00 N ATOM 440 CA ILE A 27 -4.178 -4.339 6.642 1.00 0.00 C ATOM 441 C ILE A 27 -3.711 -2.895 6.759 1.00 0.00 C ATOM 442 O ILE A 27 -4.285 -2.111 7.511 1.00 0.00 O ATOM 443 CB ILE A 27 -3.591 -5.161 7.812 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.069 -5.283 7.673 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.238 -6.537 7.865 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.408 -6.034 8.808 1.00 0.00 C ATOM 0 H ILE A 27 -2.817 -5.049 5.214 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.266 -4.367 6.702 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.807 -4.642 8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.839 -5.787 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.638 -4.284 7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.816 -7.106 8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.313 -6.428 8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.050 -7.064 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.332 -6.078 8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.606 -5.520 9.748 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.809 -7.046 8.857 1.00 0.00 H new ATOM 458 N GLN A 28 -2.676 -2.544 6.007 1.00 0.00 N ATOM 459 CA GLN A 28 -2.080 -1.218 6.100 1.00 0.00 C ATOM 460 C GLN A 28 -1.556 -0.752 4.747 1.00 0.00 C ATOM 461 O GLN A 28 -1.147 -1.561 3.914 1.00 0.00 O ATOM 462 CB GLN A 28 -0.933 -1.220 7.120 1.00 0.00 C ATOM 463 CG GLN A 28 -1.390 -1.273 8.570 1.00 0.00 C ATOM 464 CD GLN A 28 -2.125 -0.016 8.986 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.848 1.070 8.478 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.067 -0.155 9.903 1.00 0.00 N ATOM 0 H GLN A 28 -2.232 -3.159 5.326 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.857 -0.528 6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.287 -2.076 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.329 -0.324 6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.041 -2.136 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.524 -1.416 9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.263 -1.075 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.598 0.658 10.216 1.00 0.00 H new ATOM 475 N VAL A 29 -1.589 0.553 4.540 1.00 0.00 N ATOM 476 CA VAL A 29 -0.973 1.171 3.377 1.00 0.00 C ATOM 477 C VAL A 29 0.014 2.232 3.853 1.00 0.00 C ATOM 478 O VAL A 29 -0.367 3.206 4.507 1.00 0.00 O ATOM 479 CB VAL A 29 -2.028 1.779 2.414 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.972 2.727 3.142 1.00 0.00 C ATOM 481 CG2 VAL A 29 -1.350 2.487 1.249 1.00 0.00 C ATOM 0 H VAL A 29 -2.042 1.213 5.171 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.445 0.405 2.808 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.625 0.956 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.696 3.133 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.497 2.185 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.399 3.543 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.108 2.906 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.717 3.289 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.739 1.774 0.696 1.00 0.00 H new ATOM 491 N GLU A 30 1.285 2.028 3.559 1.00 0.00 N ATOM 492 CA GLU A 30 2.327 2.847 4.150 1.00 0.00 C ATOM 493 C GLU A 30 3.118 3.608 3.093 1.00 0.00 C ATOM 494 O GLU A 30 3.334 3.121 1.980 1.00 0.00 O ATOM 495 CB GLU A 30 3.251 1.966 4.992 1.00 0.00 C ATOM 496 CG GLU A 30 3.917 0.847 4.209 1.00 0.00 C ATOM 497 CD GLU A 30 4.497 -0.223 5.114 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.509 0.048 5.796 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.934 -1.334 5.168 1.00 0.00 O ATOM 0 H GLU A 30 1.619 1.307 2.919 1.00 0.00 H new ATOM 0 HA GLU A 30 1.856 3.593 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.023 2.591 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.676 1.532 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.189 0.395 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.710 1.263 3.588 1.00 0.00 H new ATOM 506 N LEU A 31 3.531 4.815 3.443 1.00 0.00 N ATOM 507 CA LEU A 31 4.335 5.628 2.553 1.00 0.00 C ATOM 508 C LEU A 31 5.798 5.576 2.963 1.00 0.00 C ATOM 509 O LEU A 31 6.170 6.022 4.050 1.00 0.00 O ATOM 510 CB LEU A 31 3.835 7.077 2.543 1.00 0.00 C ATOM 511 CG LEU A 31 4.679 8.056 1.722 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.787 7.601 0.276 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.091 9.456 1.794 1.00 0.00 C ATOM 0 H LEU A 31 3.321 5.252 4.340 1.00 0.00 H new ATOM 0 HA LEU A 31 4.242 5.226 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.816 7.089 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.790 7.436 3.571 1.00 0.00 H new ATOM 0 HG LEU A 31 5.682 8.077 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.391 8.313 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.256 6.618 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.791 7.545 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.703 10.139 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.076 9.445 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.072 9.790 2.832 1.00 0.00 H new ATOM 525 N GLN A 32 6.609 5.001 2.096 1.00 0.00 N ATOM 526 CA GLN A 32 8.047 4.992 2.270 1.00 0.00 C ATOM 527 C GLN A 32 8.625 6.303 1.760 1.00 0.00 C ATOM 528 O GLN A 32 8.676 6.538 0.551 1.00 0.00 O ATOM 529 CB GLN A 32 8.648 3.803 1.525 1.00 0.00 C ATOM 530 CG GLN A 32 10.152 3.874 1.374 1.00 0.00 C ATOM 531 CD GLN A 32 10.713 2.691 0.626 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.228 1.567 0.747 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.715 2.945 -0.187 1.00 0.00 N ATOM 0 H GLN A 32 6.289 4.527 1.251 1.00 0.00 H new ATOM 0 HA GLN A 32 8.292 4.892 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.388 2.886 2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.195 3.740 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.418 4.791 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.611 3.927 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.087 3.892 -0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.120 2.195 -0.747 1.00 0.00 H new ATOM 542 N GLU A 33 9.015 7.171 2.682 1.00 0.00 N ATOM 543 CA GLU A 33 9.573 8.462 2.312 1.00 0.00 C ATOM 544 C GLU A 33 10.966 8.308 1.713 1.00 0.00 C ATOM 545 O GLU A 33 11.725 7.414 2.094 1.00 0.00 O ATOM 546 CB GLU A 33 9.629 9.397 3.522 1.00 0.00 C ATOM 547 CG GLU A 33 8.263 9.841 4.016 1.00 0.00 C ATOM 548 CD GLU A 33 8.353 10.798 5.187 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.698 11.978 4.973 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.081 10.376 6.332 1.00 0.00 O ATOM 0 H GLU A 33 8.956 7.006 3.687 1.00 0.00 H new ATOM 0 HA GLU A 33 8.918 8.899 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.153 8.894 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.215 10.278 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.723 10.321 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.684 8.965 4.310 1.00 0.00 H new ATOM 557 N ALA A 34 11.297 9.200 0.784 1.00 0.00 N ATOM 558 CA ALA A 34 12.606 9.208 0.139 1.00 0.00 C ATOM 559 C ALA A 34 13.656 9.798 1.071 1.00 0.00 C ATOM 560 O ALA A 34 14.833 9.901 0.725 1.00 0.00 O ATOM 561 CB ALA A 34 12.543 9.994 -1.161 1.00 0.00 C ATOM 0 H ALA A 34 10.669 9.934 0.458 1.00 0.00 H new ATOM 0 HA ALA A 34 12.891 8.181 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.525 9.994 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.817 9.532 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.242 11.020 -0.951 1.00 0.00 H new ATOM 567 N ASP A 35 13.212 10.182 2.253 1.00 0.00 N ATOM 568 CA ASP A 35 14.085 10.719 3.278 1.00 0.00 C ATOM 569 C ASP A 35 13.470 10.443 4.641 1.00 0.00 C ATOM 570 O ASP A 35 12.406 10.961 4.981 1.00 0.00 O ATOM 571 CB ASP A 35 14.347 12.224 3.068 1.00 0.00 C ATOM 572 CG ASP A 35 13.104 13.094 3.163 1.00 0.00 C ATOM 573 OD1 ASP A 35 12.310 13.125 2.196 1.00 0.00 O ATOM 574 OD2 ASP A 35 12.936 13.785 4.191 1.00 0.00 O ATOM 0 H ASP A 35 12.232 10.130 2.530 1.00 0.00 H new ATOM 0 HA ASP A 35 15.056 10.227 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.071 12.562 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.803 12.368 2.089 1.00 0.00 H new ATOM 579 N GLY A 36 14.122 9.578 5.398 1.00 0.00 N ATOM 580 CA GLY A 36 13.588 9.157 6.674 1.00 0.00 C ATOM 581 C GLY A 36 13.425 7.653 6.734 1.00 0.00 C ATOM 582 O GLY A 36 14.257 6.957 7.316 1.00 0.00 O ATOM 0 H GLY A 36 15.017 9.157 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.251 9.485 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.624 9.636 6.843 1.00 0.00 H new ATOM 586 N ASP A 37 12.362 7.148 6.112 1.00 0.00 N ATOM 587 CA ASP A 37 12.122 5.707 6.049 1.00 0.00 C ATOM 588 C ASP A 37 13.188 5.034 5.203 1.00 0.00 C ATOM 589 O ASP A 37 13.686 3.961 5.540 1.00 0.00 O ATOM 590 CB ASP A 37 10.749 5.393 5.441 1.00 0.00 C ATOM 591 CG ASP A 37 9.600 5.967 6.235 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.270 5.407 7.298 1.00 0.00 O ATOM 593 OD2 ASP A 37 9.024 6.982 5.799 1.00 0.00 O ATOM 0 H ASP A 37 11.654 7.714 5.645 1.00 0.00 H new ATOM 0 HA ASP A 37 12.154 5.328 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.711 5.785 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.629 4.312 5.371 1.00 0.00 H new ATOM 598 N CYS A 38 13.537 5.680 4.103 1.00 0.00 N ATOM 599 CA CYS A 38 14.463 5.112 3.146 1.00 0.00 C ATOM 600 C CYS A 38 15.118 6.226 2.340 1.00 0.00 C ATOM 601 O CYS A 38 14.982 7.401 2.681 1.00 0.00 O ATOM 602 CB CYS A 38 13.707 4.161 2.221 1.00 0.00 C ATOM 603 SG CYS A 38 14.758 2.938 1.370 1.00 0.00 S ATOM 0 H CYS A 38 13.188 6.605 3.852 1.00 0.00 H new ATOM 0 HA CYS A 38 15.242 4.558 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.953 3.631 2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.176 4.749 1.472 1.00 0.00 H new ATOM 608 N HIS A 39 15.831 5.860 1.283 1.00 0.00 N ATOM 609 CA HIS A 39 16.463 6.849 0.414 1.00 0.00 C ATOM 610 C HIS A 39 15.616 7.093 -0.829 1.00 0.00 C ATOM 611 O HIS A 39 15.741 8.122 -1.489 1.00 0.00 O ATOM 612 CB HIS A 39 17.868 6.406 0.009 1.00 0.00 C ATOM 613 CG HIS A 39 18.834 6.337 1.149 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.555 7.423 1.591 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.187 5.305 1.949 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.309 7.062 2.611 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.107 5.781 2.850 1.00 0.00 N ATOM 0 H HIS A 39 15.987 4.891 1.006 1.00 0.00 H new ATOM 0 HA HIS A 39 16.543 7.780 0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.807 5.425 -0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.254 7.097 -0.740 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.814 4.293 1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.980 7.707 3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.559 5.234 3.583 1.00 0.00 H new ATOM 626 N LEU A 40 14.755 6.138 -1.144 1.00 0.00 N ATOM 627 CA LEU A 40 13.844 6.273 -2.267 1.00 0.00 C ATOM 628 C LEU A 40 12.412 6.208 -1.768 1.00 0.00 C ATOM 629 O LEU A 40 12.157 5.717 -0.667 1.00 0.00 O ATOM 630 CB LEU A 40 14.088 5.182 -3.309 1.00 0.00 C ATOM 631 CG LEU A 40 13.824 3.757 -2.831 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.009 3.005 -3.872 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.136 3.036 -2.550 1.00 0.00 C ATOM 0 H LEU A 40 14.669 5.258 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 40 14.022 7.237 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.456 5.381 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.122 5.249 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 40 13.255 3.796 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.824 1.989 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.058 3.514 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.560 2.973 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.928 2.021 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.733 2.998 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.687 3.572 -1.777 1.00 0.00 H new ATOM 645 N GLN A 41 11.486 6.686 -2.578 1.00 0.00 N ATOM 646 CA GLN A 41 10.092 6.765 -2.175 1.00 0.00 C ATOM 647 C GLN A 41 9.287 5.621 -2.780 1.00 0.00 C ATOM 648 O GLN A 41 9.466 5.271 -3.948 1.00 0.00 O ATOM 649 CB GLN A 41 9.497 8.105 -2.601 1.00 0.00 C ATOM 650 CG GLN A 41 8.066 8.301 -2.140 1.00 0.00 C ATOM 651 CD GLN A 41 7.464 9.596 -2.645 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.857 9.635 -3.713 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.635 10.668 -1.886 1.00 0.00 N ATOM 0 H GLN A 41 11.673 7.026 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 41 10.045 6.682 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.113 8.911 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.535 8.182 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.459 7.464 -2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.034 8.290 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.145 10.594 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.256 11.568 -2.182 1.00 0.00 H new ATOM 662 N ALA A 42 8.400 5.046 -1.984 1.00 0.00 N ATOM 663 CA ALA A 42 7.556 3.961 -2.446 1.00 0.00 C ATOM 664 C ALA A 42 6.260 3.901 -1.656 1.00 0.00 C ATOM 665 O ALA A 42 6.236 4.168 -0.457 1.00 0.00 O ATOM 666 CB ALA A 42 8.291 2.632 -2.337 1.00 0.00 C ATOM 0 H ALA A 42 8.247 5.315 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 42 7.313 4.150 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.644 1.828 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.193 2.664 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.563 2.451 -1.297 1.00 0.00 H new ATOM 672 N PHE A 43 5.181 3.570 -2.338 1.00 0.00 N ATOM 673 CA PHE A 43 3.928 3.273 -1.674 1.00 0.00 C ATOM 674 C PHE A 43 3.842 1.775 -1.450 1.00 0.00 C ATOM 675 O PHE A 43 3.651 0.999 -2.387 1.00 0.00 O ATOM 676 CB PHE A 43 2.737 3.768 -2.490 1.00 0.00 C ATOM 677 CG PHE A 43 2.328 5.178 -2.169 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.398 5.425 -1.172 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.867 6.248 -2.859 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.013 6.718 -0.870 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.487 7.544 -2.561 1.00 0.00 C ATOM 682 CZ PHE A 43 1.559 7.779 -1.565 1.00 0.00 C ATOM 0 H PHE A 43 5.148 3.500 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 43 3.897 3.792 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.982 3.703 -3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.889 3.105 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.969 4.598 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.592 6.070 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.286 6.898 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.915 8.372 -3.107 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.261 8.790 -1.330 1.00 0.00 H new ATOM 692 N VAL A 44 4.016 1.373 -0.211 1.00 0.00 N ATOM 693 CA VAL A 44 4.140 -0.030 0.116 1.00 0.00 C ATOM 694 C VAL A 44 2.859 -0.550 0.753 1.00 0.00 C ATOM 695 O VAL A 44 2.255 0.113 1.600 1.00 0.00 O ATOM 696 CB VAL A 44 5.357 -0.254 1.035 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.512 -1.720 1.416 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.611 0.262 0.342 1.00 0.00 C ATOM 0 H VAL A 44 4.075 2.001 0.590 1.00 0.00 H new ATOM 0 HA VAL A 44 4.301 -0.593 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 44 5.200 0.299 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.380 -1.838 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.618 -2.056 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.648 -2.318 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.474 0.106 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.757 -0.276 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.501 1.327 0.135 1.00 0.00 H new ATOM 708 N LEU A 45 2.433 -1.720 0.316 1.00 0.00 N ATOM 709 CA LEU A 45 1.194 -2.300 0.790 1.00 0.00 C ATOM 710 C LEU A 45 1.482 -3.402 1.791 1.00 0.00 C ATOM 711 O LEU A 45 2.303 -4.289 1.545 1.00 0.00 O ATOM 712 CB LEU A 45 0.373 -2.816 -0.390 1.00 0.00 C ATOM 713 CG LEU A 45 0.012 -1.735 -1.409 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.829 -2.307 -2.536 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.717 -0.586 -0.725 1.00 0.00 C ATOM 0 H LEU A 45 2.930 -2.288 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 45 0.608 -1.534 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.933 -3.604 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.544 -3.268 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 45 0.936 -1.353 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.071 -1.517 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.270 -3.093 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.750 -2.723 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.968 0.176 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.631 -0.959 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.074 -0.152 0.041 1.00 0.00 H new ATOM 727 N HIS A 46 0.802 -3.338 2.920 1.00 0.00 N ATOM 728 CA HIS A 46 1.132 -4.184 4.051 1.00 0.00 C ATOM 729 C HIS A 46 0.034 -5.202 4.314 1.00 0.00 C ATOM 730 O HIS A 46 -1.099 -4.840 4.640 1.00 0.00 O ATOM 731 CB HIS A 46 1.341 -3.316 5.291 1.00 0.00 C ATOM 732 CG HIS A 46 2.229 -3.924 6.332 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.527 -3.518 6.522 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.001 -4.887 7.254 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.063 -4.201 7.512 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.157 -5.043 7.980 1.00 0.00 N ATOM 0 H HIS A 46 0.016 -2.707 3.078 1.00 0.00 H new ATOM 0 HA HIS A 46 2.048 -4.727 3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.765 -2.360 4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.370 -3.104 5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.003 -2.798 5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.080 -5.433 7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.073 -4.092 7.880 1.00 0.00 H new ATOM 745 N LEU A 47 0.376 -6.471 4.174 1.00 0.00 N ATOM 746 CA LEU A 47 -0.526 -7.550 4.528 1.00 0.00 C ATOM 747 C LEU A 47 -0.145 -8.074 5.902 1.00 0.00 C ATOM 748 O LEU A 47 0.918 -7.731 6.421 1.00 0.00 O ATOM 749 CB LEU A 47 -0.477 -8.694 3.504 1.00 0.00 C ATOM 750 CG LEU A 47 -1.032 -8.372 2.111 1.00 0.00 C ATOM 751 CD1 LEU A 47 -0.056 -7.518 1.316 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.351 -9.656 1.360 1.00 0.00 C ATOM 0 H LEU A 47 1.279 -6.780 3.815 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.544 -7.161 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.559 -9.014 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.032 -9.541 3.908 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.952 -7.801 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.476 -7.305 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.122 -6.582 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.886 -8.054 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.744 -9.412 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.443 -10.250 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.095 -10.227 1.916 1.00 0.00 H new ATOM 764 N ALA A 48 -0.989 -8.922 6.474 1.00 0.00 N ATOM 765 CA ALA A 48 -0.787 -9.424 7.831 1.00 0.00 C ATOM 766 C ALA A 48 0.560 -10.128 8.007 1.00 0.00 C ATOM 767 O ALA A 48 1.082 -10.209 9.119 1.00 0.00 O ATOM 768 CB ALA A 48 -1.923 -10.360 8.215 1.00 0.00 C ATOM 0 H ALA A 48 -1.827 -9.280 6.017 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.781 -8.559 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.764 -10.729 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.869 -9.821 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.951 -11.201 7.523 1.00 0.00 H new ATOM 774 N GLN A 49 1.126 -10.634 6.917 1.00 0.00 N ATOM 775 CA GLN A 49 2.381 -11.379 7.002 1.00 0.00 C ATOM 776 C GLN A 49 3.355 -10.968 5.905 1.00 0.00 C ATOM 777 O GLN A 49 4.473 -11.476 5.842 1.00 0.00 O ATOM 778 CB GLN A 49 2.128 -12.889 6.893 1.00 0.00 C ATOM 779 CG GLN A 49 1.078 -13.425 7.855 1.00 0.00 C ATOM 780 CD GLN A 49 -0.255 -13.696 7.187 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.557 -12.955 6.139 1.00 0.00 O flip ATOM 782 NE2 GLN A 49 -1.006 -14.572 7.610 1.00 0.00 N flip ATOM 0 H GLN A 49 0.744 -10.545 5.975 1.00 0.00 H new ATOM 0 HA GLN A 49 2.820 -11.146 7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.820 -13.120 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.066 -13.415 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.445 -14.346 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.934 -12.708 8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.737 -15.125 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.898 -14.746 7.147 1.00 0.00 H new ATOM 791 N ARG A 50 2.941 -10.044 5.049 1.00 0.00 N ATOM 792 CA ARG A 50 3.721 -9.725 3.855 1.00 0.00 C ATOM 793 C ARG A 50 3.745 -8.226 3.600 1.00 0.00 C ATOM 794 O ARG A 50 2.786 -7.525 3.909 1.00 0.00 O ATOM 795 CB ARG A 50 3.131 -10.438 2.631 1.00 0.00 C ATOM 796 CG ARG A 50 3.032 -11.946 2.790 1.00 0.00 C ATOM 797 CD ARG A 50 2.397 -12.602 1.579 1.00 0.00 C ATOM 798 NE ARG A 50 3.233 -12.492 0.387 1.00 0.00 N ATOM 799 CZ ARG A 50 3.328 -13.443 -0.539 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.650 -14.576 -0.406 1.00 0.00 N ATOM 801 NH2 ARG A 50 4.110 -13.256 -1.594 1.00 0.00 N ATOM 0 H ARG A 50 2.081 -9.506 5.154 1.00 0.00 H new ATOM 0 HA ARG A 50 4.742 -10.068 4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.137 -10.037 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.746 -10.213 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.028 -12.361 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.446 -12.180 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.212 -13.654 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.429 -12.141 1.385 1.00 0.00 H new ATOM 0 HE ARG A 50 3.775 -11.638 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.053 -14.721 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.726 -15.302 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.635 -12.387 -1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.187 -13.981 -2.307 1.00 0.00 H new ATOM 815 N SER A 51 4.840 -7.745 3.036 1.00 0.00 N ATOM 816 CA SER A 51 4.949 -6.346 2.652 1.00 0.00 C ATOM 817 C SER A 51 5.363 -6.258 1.190 1.00 0.00 C ATOM 818 O SER A 51 6.385 -6.818 0.791 1.00 0.00 O ATOM 819 CB SER A 51 5.973 -5.630 3.542 1.00 0.00 C ATOM 820 OG SER A 51 5.725 -5.888 4.917 1.00 0.00 O ATOM 0 H SER A 51 5.669 -8.304 2.833 1.00 0.00 H new ATOM 0 HA SER A 51 3.983 -5.858 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.979 -5.960 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.932 -4.557 3.357 1.00 0.00 H new ATOM 0 HG SER A 51 6.392 -5.422 5.463 1.00 0.00 H new ATOM 826 N ILE A 52 4.565 -5.572 0.389 1.00 0.00 N ATOM 827 CA ILE A 52 4.824 -5.475 -1.037 1.00 0.00 C ATOM 828 C ILE A 52 5.159 -4.038 -1.417 1.00 0.00 C ATOM 829 O ILE A 52 4.396 -3.117 -1.131 1.00 0.00 O ATOM 830 CB ILE A 52 3.614 -5.978 -1.854 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.292 -7.424 -1.457 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.901 -5.879 -3.347 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.064 -7.998 -2.133 1.00 0.00 C ATOM 0 H ILE A 52 3.732 -5.074 0.703 1.00 0.00 H new ATOM 0 HA ILE A 52 5.679 -6.109 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 52 2.749 -5.351 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.150 -8.053 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.152 -7.469 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.038 -6.238 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.100 -4.840 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.771 -6.488 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.909 -9.023 -1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.192 -7.396 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.206 -7.989 -3.214 1.00 0.00 H new ATOM 845 N CYS A 53 6.284 -3.859 -2.091 1.00 0.00 N ATOM 846 CA CYS A 53 6.823 -2.531 -2.344 1.00 0.00 C ATOM 847 C CYS A 53 6.518 -2.084 -3.767 1.00 0.00 C ATOM 848 O CYS A 53 6.851 -2.772 -4.736 1.00 0.00 O ATOM 849 CB CYS A 53 8.334 -2.548 -2.110 1.00 0.00 C ATOM 850 SG CYS A 53 8.825 -3.347 -0.545 1.00 0.00 S ATOM 0 H CYS A 53 6.844 -4.620 -2.475 1.00 0.00 H new ATOM 0 HA CYS A 53 6.354 -1.823 -1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.815 -3.067 -2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.705 -1.523 -2.117 1.00 0.00 H new ATOM 855 N ILE A 54 5.878 -0.931 -3.884 1.00 0.00 N ATOM 856 CA ILE A 54 5.436 -0.417 -5.169 1.00 0.00 C ATOM 857 C ILE A 54 5.835 1.050 -5.339 1.00 0.00 C ATOM 858 O ILE A 54 5.679 1.849 -4.422 1.00 0.00 O ATOM 859 CB ILE A 54 3.899 -0.558 -5.299 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.501 -2.034 -5.408 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.380 0.226 -6.488 1.00 0.00 C ATOM 862 CD1 ILE A 54 2.007 -2.258 -5.536 1.00 0.00 C ATOM 0 H ILE A 54 5.651 -0.328 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 54 5.921 -1.001 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 54 3.444 -0.144 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.000 -2.472 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.864 -2.564 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.298 0.110 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.625 1.281 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.843 -0.148 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.804 -3.327 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.502 -1.851 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.639 -1.758 -6.432 1.00 0.00 H new ATOM 874 N HIS A 55 6.380 1.400 -6.504 1.00 0.00 N ATOM 875 CA HIS A 55 6.649 2.803 -6.814 1.00 0.00 C ATOM 876 C HIS A 55 5.326 3.551 -6.963 1.00 0.00 C ATOM 877 O HIS A 55 4.385 3.028 -7.558 1.00 0.00 O ATOM 878 CB HIS A 55 7.514 2.959 -8.087 1.00 0.00 C ATOM 879 CG HIS A 55 6.900 2.436 -9.358 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.911 3.143 -10.541 1.00 0.00 N ATOM 881 CD2 HIS A 55 6.287 1.260 -9.636 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.329 2.429 -11.485 1.00 0.00 C ATOM 883 NE2 HIS A 55 5.942 1.282 -10.963 1.00 0.00 N ATOM 0 H HIS A 55 6.640 0.742 -7.239 1.00 0.00 H new ATOM 0 HA HIS A 55 7.220 3.232 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.742 4.016 -8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.463 2.447 -7.925 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.308 4.074 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.104 0.454 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.193 2.733 -12.512 1.00 0.00 H new ATOM 892 N PRO A 56 5.240 4.775 -6.414 1.00 0.00 N ATOM 893 CA PRO A 56 3.994 5.560 -6.383 1.00 0.00 C ATOM 894 C PRO A 56 3.329 5.680 -7.750 1.00 0.00 C ATOM 895 O PRO A 56 2.104 5.693 -7.863 1.00 0.00 O ATOM 896 CB PRO A 56 4.454 6.936 -5.900 1.00 0.00 C ATOM 897 CG PRO A 56 5.691 6.669 -5.116 1.00 0.00 C ATOM 898 CD PRO A 56 6.359 5.496 -5.778 1.00 0.00 C ATOM 0 HA PRO A 56 3.244 5.089 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.653 7.603 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.692 7.415 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.346 7.540 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.453 6.446 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.098 5.817 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.880 4.870 -5.054 1.00 0.00 H new ATOM 906 N GLN A 57 4.148 5.747 -8.786 1.00 0.00 N ATOM 907 CA GLN A 57 3.659 5.902 -10.146 1.00 0.00 C ATOM 908 C GLN A 57 3.286 4.544 -10.738 1.00 0.00 C ATOM 909 O GLN A 57 3.807 4.144 -11.782 1.00 0.00 O ATOM 910 CB GLN A 57 4.722 6.578 -11.023 1.00 0.00 C ATOM 911 CG GLN A 57 5.210 7.928 -10.505 1.00 0.00 C ATOM 912 CD GLN A 57 6.084 7.819 -9.266 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.778 6.820 -9.062 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.046 8.836 -8.422 1.00 0.00 N ATOM 0 H GLN A 57 5.164 5.696 -8.710 1.00 0.00 H new ATOM 0 HA GLN A 57 2.769 6.531 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.577 5.909 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.314 6.714 -12.025 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.771 8.430 -11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.348 8.555 -10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.460 9.646 -8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.603 8.811 -7.568 1.00 0.00 H new ATOM 923 N ASN A 58 2.386 3.836 -10.067 1.00 0.00 N ATOM 924 CA ASN A 58 1.981 2.506 -10.505 1.00 0.00 C ATOM 925 C ASN A 58 0.470 2.345 -10.394 1.00 0.00 C ATOM 926 O ASN A 58 -0.111 2.606 -9.338 1.00 0.00 O ATOM 927 CB ASN A 58 2.675 1.436 -9.662 1.00 0.00 C ATOM 928 CG ASN A 58 2.704 0.077 -10.342 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.744 -0.777 -10.019 1.00 0.00 O flip ATOM 930 ND2 ASN A 58 3.604 -0.214 -11.127 1.00 0.00 N flip ATOM 0 H ASN A 58 1.923 4.160 -9.218 1.00 0.00 H new ATOM 0 HA ASN A 58 2.274 2.385 -11.548 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.696 1.753 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.163 1.347 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.326 0.471 -11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.629 -1.140 -11.554 1.00 0.00 H new ATOM 937 N PRO A 59 -0.175 1.889 -11.482 1.00 0.00 N ATOM 938 CA PRO A 59 -1.636 1.732 -11.547 1.00 0.00 C ATOM 939 C PRO A 59 -2.211 0.935 -10.379 1.00 0.00 C ATOM 940 O PRO A 59 -3.284 1.256 -9.869 1.00 0.00 O ATOM 941 CB PRO A 59 -1.851 0.978 -12.859 1.00 0.00 C ATOM 942 CG PRO A 59 -0.681 1.346 -13.701 1.00 0.00 C ATOM 943 CD PRO A 59 0.474 1.505 -12.752 1.00 0.00 C ATOM 0 HA PRO A 59 -2.141 2.696 -11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.898 -0.098 -12.694 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.788 1.269 -13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.474 0.574 -14.442 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.868 2.270 -14.247 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.040 0.579 -12.650 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.172 2.269 -13.093 1.00 0.00 H new ATOM 951 N SER A 60 -1.491 -0.098 -9.949 1.00 0.00 N ATOM 952 CA SER A 60 -1.956 -0.951 -8.860 1.00 0.00 C ATOM 953 C SER A 60 -2.197 -0.141 -7.593 1.00 0.00 C ATOM 954 O SER A 60 -3.146 -0.400 -6.868 1.00 0.00 O ATOM 955 CB SER A 60 -0.944 -2.055 -8.560 1.00 0.00 C ATOM 956 OG SER A 60 -1.546 -3.122 -7.846 1.00 0.00 O ATOM 0 H SER A 60 -0.586 -0.364 -10.337 1.00 0.00 H new ATOM 0 HA SER A 60 -2.895 -1.400 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.523 -2.430 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.117 -1.646 -7.979 1.00 0.00 H new ATOM 0 HG SER A 60 -1.094 -3.235 -6.984 1.00 0.00 H new ATOM 962 N LEU A 61 -1.348 0.849 -7.343 1.00 0.00 N ATOM 963 CA LEU A 61 -1.413 1.603 -6.101 1.00 0.00 C ATOM 964 C LEU A 61 -2.575 2.597 -6.150 1.00 0.00 C ATOM 965 O LEU A 61 -3.360 2.694 -5.207 1.00 0.00 O ATOM 966 CB LEU A 61 -0.074 2.320 -5.863 1.00 0.00 C ATOM 967 CG LEU A 61 0.305 2.577 -4.396 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.673 3.532 -3.737 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.375 1.270 -3.616 1.00 0.00 C ATOM 0 H LEU A 61 -0.610 1.146 -7.982 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.591 0.922 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.718 1.729 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.101 3.278 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 61 1.292 3.039 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.380 3.695 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.668 4.483 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.675 3.105 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.645 1.478 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.596 0.776 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.127 0.619 -4.063 1.00 0.00 H new ATOM 981 N SER A 62 -2.694 3.313 -7.262 1.00 0.00 N ATOM 982 CA SER A 62 -3.782 4.272 -7.439 1.00 0.00 C ATOM 983 C SER A 62 -5.137 3.556 -7.422 1.00 0.00 C ATOM 984 O SER A 62 -6.069 3.957 -6.704 1.00 0.00 O ATOM 985 CB SER A 62 -3.599 5.046 -8.750 1.00 0.00 C ATOM 986 OG SER A 62 -4.559 6.079 -8.887 1.00 0.00 O ATOM 0 H SER A 62 -2.054 3.249 -8.053 1.00 0.00 H new ATOM 0 HA SER A 62 -3.759 4.981 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.597 5.474 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.681 4.359 -9.593 1.00 0.00 H new ATOM 0 HG SER A 62 -5.090 5.926 -9.696 1.00 0.00 H new ATOM 992 N GLN A 63 -5.240 2.478 -8.198 1.00 0.00 N ATOM 993 CA GLN A 63 -6.449 1.668 -8.218 1.00 0.00 C ATOM 994 C GLN A 63 -6.720 1.076 -6.842 1.00 0.00 C ATOM 995 O GLN A 63 -7.874 0.866 -6.460 1.00 0.00 O ATOM 996 CB GLN A 63 -6.335 0.533 -9.234 1.00 0.00 C ATOM 997 CG GLN A 63 -6.295 0.992 -10.682 1.00 0.00 C ATOM 998 CD GLN A 63 -6.311 -0.173 -11.660 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.731 -1.299 -11.266 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -6.837 -0.061 -12.764 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.500 2.149 -8.819 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.274 2.320 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.432 -0.040 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.180 -0.143 -9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.149 1.640 -10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.398 1.589 -10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.274 0.820 -13.034 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.837 -0.849 -13.411 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.657 0.799 -6.099 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.810 0.230 -4.778 1.00 0.00 C ATOM 1011 C TRP A 64 -6.377 1.259 -3.820 1.00 0.00 C ATOM 1012 O TRP A 64 -7.199 0.915 -2.992 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.492 -0.347 -4.246 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.646 -1.072 -2.941 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.849 -0.954 -1.841 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.667 -2.020 -2.594 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.307 -1.766 -0.836 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.422 -2.425 -1.271 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.767 -2.562 -3.270 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.232 -3.340 -0.615 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.568 -3.470 -2.614 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.300 -3.849 -1.299 1.00 0.00 C ATOM 0 H TRP A 64 -4.692 0.959 -6.389 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.514 -0.599 -4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.077 -1.031 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.773 0.463 -4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.982 -0.313 -1.772 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.884 -1.863 0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.983 -2.273 -4.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.026 -3.640 0.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.418 -3.896 -3.127 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.950 -4.560 -0.811 1.00 0.00 H new ATOM 1033 N PHE A 65 -5.984 2.522 -3.968 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.541 3.590 -3.142 1.00 0.00 C ATOM 1035 C PHE A 65 -8.062 3.557 -3.193 1.00 0.00 C ATOM 1036 O PHE A 65 -8.736 3.680 -2.168 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.043 4.959 -3.607 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.760 5.402 -2.961 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.054 4.561 -2.116 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.273 6.677 -3.190 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.883 4.983 -1.518 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.106 7.105 -2.593 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.409 6.258 -1.757 1.00 0.00 C ATOM 0 H PHE A 65 -5.287 2.829 -4.647 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.209 3.428 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.902 4.934 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.814 5.702 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.423 3.565 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.814 7.345 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.339 4.317 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.738 8.103 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.494 6.591 -1.290 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.595 3.367 -4.393 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.030 3.200 -4.571 1.00 0.00 C ATOM 1055 C GLU A 66 -10.523 1.923 -3.891 1.00 0.00 C ATOM 1056 O GLU A 66 -11.395 1.952 -3.013 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.371 3.139 -6.063 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.436 4.497 -6.735 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.655 5.282 -6.302 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -12.724 5.126 -6.932 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.561 6.037 -5.317 1.00 0.00 O ATOM 0 H GLU A 66 -8.055 3.325 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.526 4.056 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.625 2.528 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.331 2.637 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.536 5.064 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.454 4.366 -7.817 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.925 0.806 -4.276 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.424 -0.503 -3.885 1.00 0.00 C ATOM 1070 C HIS A 67 -10.226 -0.789 -2.398 1.00 0.00 C ATOM 1071 O HIS A 67 -11.044 -1.474 -1.800 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.782 -1.601 -4.740 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.163 -1.522 -6.189 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.262 -1.683 -7.219 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -11.364 -1.296 -6.775 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.891 -1.557 -8.375 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -11.166 -1.324 -8.130 1.00 0.00 N ATOM 0 H HIS A 67 -9.090 0.780 -4.861 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.499 -0.499 -4.062 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.698 -1.533 -4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.073 -2.575 -4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.302 -1.126 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.438 -1.632 -9.353 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.889 -1.187 -8.837 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.161 -0.262 -1.799 1.00 0.00 N ATOM 1087 CA GLN A 68 -8.912 -0.469 -0.372 1.00 0.00 C ATOM 1088 C GLN A 68 -9.880 0.356 0.459 1.00 0.00 C ATOM 1089 O GLN A 68 -10.328 -0.083 1.518 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.469 -0.110 0.015 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.114 1.357 -0.177 1.00 0.00 C ATOM 1092 CD GLN A 68 -5.745 1.711 0.363 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.575 2.962 0.745 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -4.845 0.879 0.426 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.461 0.308 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.064 -1.529 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.309 -0.376 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.785 -0.718 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.153 1.598 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.864 1.974 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.014 -0.080 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.928 1.146 0.783 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.213 1.546 -0.038 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.131 2.436 0.660 1.00 0.00 C ATOM 1105 C GLU A 69 -12.468 1.742 0.879 1.00 0.00 C ATOM 1106 O GLU A 69 -13.150 1.965 1.880 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.325 3.728 -0.137 1.00 0.00 C ATOM 1108 CG GLU A 69 -12.238 4.738 0.538 1.00 0.00 C ATOM 1109 CD GLU A 69 -12.426 5.988 -0.292 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.085 5.913 -1.349 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -11.912 7.054 0.103 1.00 0.00 O ATOM 0 H GLU A 69 -9.859 1.914 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.706 2.689 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.352 4.189 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.734 3.481 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.209 4.279 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.822 5.008 1.509 1.00 0.00 H new ATOM 1118 N ARG A 70 -12.834 0.888 -0.065 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.078 0.143 0.033 1.00 0.00 C ATOM 1120 C ARG A 70 -13.831 -1.366 0.169 1.00 0.00 C ATOM 1121 O ARG A 70 -14.610 -2.176 -0.338 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.959 0.462 -1.177 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.260 0.293 -2.514 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.758 1.307 -3.532 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.344 2.672 -3.192 1.00 0.00 N ATOM 1126 CZ ARG A 70 -13.898 3.555 -4.086 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -13.886 3.248 -5.374 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.473 4.749 -3.692 1.00 0.00 N ATOM 0 H ARG A 70 -12.288 0.695 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.598 0.452 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.837 -0.183 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.316 1.489 -1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.184 0.407 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.430 -0.716 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.377 1.047 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.846 1.261 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.400 2.963 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.218 2.335 -5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.544 3.925 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.487 4.994 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.133 5.421 -4.379 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.763 -1.742 0.871 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.477 -3.154 1.133 1.00 0.00 C ATOM 1144 C LYS A 71 -11.796 -3.303 2.505 1.00 0.00 C ATOM 1145 O LYS A 71 -11.813 -2.357 3.287 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.607 -3.738 0.012 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.891 -5.207 -0.292 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.863 -5.803 -1.242 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.780 -5.029 -2.545 1.00 0.00 C ATOM 1150 NZ LYS A 71 -9.932 -5.720 -3.547 1.00 0.00 N ATOM 0 H LYS A 71 -12.084 -1.093 1.267 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.412 -3.713 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.760 -3.153 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.558 -3.631 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.897 -5.775 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.885 -5.301 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.885 -5.809 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.122 -6.841 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.783 -4.893 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.376 -4.035 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.433 -5.014 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.238 -6.321 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.530 -6.310 -4.160 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.187 -4.482 2.766 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.627 -4.865 4.079 1.00 0.00 C ATOM 1166 C LEU A 72 -11.209 -4.105 5.278 1.00 0.00 C ATOM 1167 O LEU A 72 -10.486 -3.416 6.000 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.078 -4.845 4.121 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.328 -3.730 3.373 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.462 -3.900 1.881 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.776 -2.342 3.806 1.00 0.00 C ATOM 0 H LEU A 72 -11.070 -5.205 2.057 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.952 -5.900 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.777 -4.799 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.725 -5.799 3.729 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.274 -3.820 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.923 -3.100 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.044 -4.863 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.515 -3.861 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.217 -1.589 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.841 -2.225 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.591 -2.216 4.873 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.522 -4.236 5.479 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.208 -3.683 6.659 1.00 0.00 C ATOM 1185 C HIS A 73 -13.293 -2.154 6.634 1.00 0.00 C ATOM 1186 O HIS A 73 -14.038 -1.561 7.414 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.504 -4.117 7.953 1.00 0.00 C ATOM 1188 CG HIS A 73 -12.516 -5.592 8.198 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -11.373 -6.358 8.205 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -13.537 -6.439 8.460 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -11.688 -7.612 8.458 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -12.993 -7.687 8.617 1.00 0.00 N ATOM 0 H HIS A 73 -13.142 -4.726 4.834 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.223 -4.080 6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -11.470 -3.775 7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.980 -3.617 8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.583 -6.181 8.532 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.994 -8.437 8.524 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -13.516 -8.538 8.824 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.544 -1.519 5.746 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.456 -0.073 5.751 1.00 0.00 C ATOM 1203 C GLY A 74 -11.500 0.421 6.819 1.00 0.00 C ATOM 1204 O GLY A 74 -11.581 1.566 7.267 1.00 0.00 O ATOM 0 H GLY A 74 -11.994 -1.979 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.123 0.276 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.445 0.352 5.921 1.00 0.00 H new ATOM 1208 N THR A 75 -10.600 -0.457 7.238 1.00 0.00 N ATOM 1209 CA THR A 75 -9.622 -0.122 8.257 1.00 0.00 C ATOM 1210 C THR A 75 -8.294 0.267 7.622 1.00 0.00 C ATOM 1211 O THR A 75 -7.524 -0.598 7.202 1.00 0.00 O ATOM 1212 CB THR A 75 -9.401 -1.302 9.224 1.00 0.00 C ATOM 1213 OG1 THR A 75 -9.134 -2.503 8.481 1.00 0.00 O ATOM 1214 CG2 THR A 75 -10.615 -1.512 10.117 1.00 0.00 C ATOM 0 H THR A 75 -10.529 -1.411 6.884 1.00 0.00 H new ATOM 0 HA THR A 75 -10.013 0.726 8.820 1.00 0.00 H new ATOM 0 HB THR A 75 -8.545 -1.066 9.856 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.454 -2.321 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.432 -2.350 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.796 -0.611 10.702 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.488 -1.726 9.500 1.00 0.00 H new ATOM 1222 N LEU A 76 -8.034 1.564 7.544 1.00 0.00 N ATOM 1223 CA LEU A 76 -6.833 2.077 6.928 1.00 0.00 C ATOM 1224 C LEU A 76 -6.496 3.419 7.540 1.00 0.00 C ATOM 1225 O LEU A 76 -7.358 4.070 8.132 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.028 2.259 5.421 1.00 0.00 C ATOM 1227 CG LEU A 76 -7.214 0.978 4.615 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.809 1.297 3.260 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -5.885 0.258 4.452 1.00 0.00 C ATOM 0 H LEU A 76 -8.655 2.286 7.909 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.026 1.364 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.898 2.896 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.165 2.793 5.024 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.899 0.323 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.937 0.375 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.777 1.780 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.141 1.966 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.034 -0.654 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.181 0.907 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.486 0.005 5.434 1.00 0.00 H new ATOM 1241 N PRO A 77 -5.234 3.818 7.446 1.00 0.00 N ATOM 1242 CA PRO A 77 -4.799 5.176 7.772 1.00 0.00 C ATOM 1243 C PRO A 77 -5.682 6.243 7.122 1.00 0.00 C ATOM 1244 O PRO A 77 -5.967 6.181 5.925 1.00 0.00 O ATOM 1245 CB PRO A 77 -3.429 5.224 7.149 1.00 0.00 C ATOM 1246 CG PRO A 77 -2.913 3.838 7.263 1.00 0.00 C ATOM 1247 CD PRO A 77 -4.107 2.961 7.035 1.00 0.00 C ATOM 0 HA PRO A 77 -4.835 5.377 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.479 5.543 6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.782 5.931 7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.134 3.645 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.474 3.660 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.191 2.657 5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.057 2.049 7.629 1.00 0.00 H new ATOM 1255 N LYS A 78 -6.104 7.224 7.898 1.00 0.00 N ATOM 1256 CA LYS A 78 -6.925 8.302 7.368 1.00 0.00 C ATOM 1257 C LYS A 78 -6.032 9.460 6.918 1.00 0.00 C ATOM 1258 O LYS A 78 -6.043 10.540 7.508 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.930 8.764 8.430 1.00 0.00 C ATOM 1260 CG LYS A 78 -9.258 9.272 7.876 1.00 0.00 C ATOM 1261 CD LYS A 78 -9.121 10.606 7.158 1.00 0.00 C ATOM 1262 CE LYS A 78 -10.472 11.128 6.689 1.00 0.00 C ATOM 1263 NZ LYS A 78 -11.111 10.215 5.704 1.00 0.00 N ATOM 0 H LYS A 78 -5.894 7.299 8.893 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.483 7.942 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.129 7.934 9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.473 9.556 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.666 8.533 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.972 9.375 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.660 11.334 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.456 10.493 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.131 11.252 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.344 12.113 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.940 10.682 5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.429 9.981 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.411 9.342 6.183 1.00 0.00 H new ATOM 1277 N LEU A 79 -5.241 9.219 5.876 1.00 0.00 N ATOM 1278 CA LEU A 79 -4.308 10.223 5.385 1.00 0.00 C ATOM 1279 C LEU A 79 -4.814 10.897 4.120 1.00 0.00 C ATOM 1280 O LEU A 79 -4.102 11.682 3.499 1.00 0.00 O ATOM 1281 CB LEU A 79 -2.882 9.640 5.201 1.00 0.00 C ATOM 1282 CG LEU A 79 -2.615 8.557 4.111 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -3.508 7.337 4.221 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -2.680 9.133 2.702 1.00 0.00 C ATOM 0 H LEU A 79 -5.229 8.340 5.359 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.240 10.997 6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.214 10.477 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.579 9.217 6.159 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.598 8.218 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.260 6.632 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.357 6.861 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.551 7.639 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.488 8.343 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.670 9.554 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.929 9.915 2.594 1.00 0.00 H new ATOM 1296 N ASN A 80 -6.072 10.631 3.805 1.00 0.00 N ATOM 1297 CA ASN A 80 -6.738 11.180 2.615 1.00 0.00 C ATOM 1298 C ASN A 80 -6.136 10.614 1.331 1.00 0.00 C ATOM 1299 O ASN A 80 -5.094 11.066 0.859 1.00 0.00 O ATOM 1300 CB ASN A 80 -6.677 12.716 2.586 1.00 0.00 C ATOM 1301 CG ASN A 80 -7.211 13.354 3.856 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -8.414 13.579 3.994 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -6.319 13.662 4.783 1.00 0.00 N ATOM 0 H ASN A 80 -6.671 10.025 4.366 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.784 10.879 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.644 13.030 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.250 13.081 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.619 14.103 5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.332 13.458 4.628 1.00 0.00 H new ATOM 1310 N PHE A 81 -6.810 9.630 0.754 1.00 0.00 N ATOM 1311 CA PHE A 81 -6.320 8.973 -0.452 1.00 0.00 C ATOM 1312 C PHE A 81 -6.592 9.839 -1.680 1.00 0.00 C ATOM 1313 O PHE A 81 -6.038 9.609 -2.758 1.00 0.00 O ATOM 1314 CB PHE A 81 -6.982 7.605 -0.622 1.00 0.00 C ATOM 1315 CG PHE A 81 -7.008 6.782 0.634 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -5.833 6.355 1.229 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -8.216 6.437 1.222 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -5.862 5.601 2.386 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -8.250 5.682 2.378 1.00 0.00 C ATOM 1320 CZ PHE A 81 -7.071 5.263 2.961 1.00 0.00 C ATOM 0 H PHE A 81 -7.698 9.268 1.101 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.244 8.833 -0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.004 7.748 -0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.454 7.050 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.884 6.614 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.141 6.763 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.938 5.276 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.198 5.420 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.094 4.672 3.865 1.00 0.00 H new ATOM 1330 N GLY A 82 -7.446 10.840 -1.509 1.00 0.00 N ATOM 1331 CA GLY A 82 -7.794 11.729 -2.603 1.00 0.00 C ATOM 1332 C GLY A 82 -6.663 12.663 -2.991 1.00 0.00 C ATOM 1333 O GLY A 82 -6.774 13.399 -3.969 1.00 0.00 O ATOM 0 H GLY A 82 -7.908 11.054 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.080 11.134 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.665 12.320 -2.320 1.00 0.00 H new ATOM 1337 N MET A 83 -5.570 12.631 -2.234 1.00 0.00 N ATOM 1338 CA MET A 83 -4.413 13.469 -2.533 1.00 0.00 C ATOM 1339 C MET A 83 -3.589 12.865 -3.670 1.00 0.00 C ATOM 1340 O MET A 83 -2.612 13.458 -4.128 1.00 0.00 O ATOM 1341 CB MET A 83 -3.529 13.644 -1.291 1.00 0.00 C ATOM 1342 CG MET A 83 -2.729 12.402 -0.926 1.00 0.00 C ATOM 1343 SD MET A 83 -1.545 12.697 0.400 1.00 0.00 S ATOM 1344 CE MET A 83 -0.690 11.121 0.445 1.00 0.00 C ATOM 0 H MET A 83 -5.461 12.036 -1.412 1.00 0.00 H new ATOM 0 HA MET A 83 -4.782 14.447 -2.842 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.840 14.472 -1.461 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.158 13.921 -0.445 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.414 11.610 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.198 12.046 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.148 11.028 1.386 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.415 10.311 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.013 11.065 -0.386 1.00 0.00 H new ATOM 1354 N LEU A 84 -3.980 11.675 -4.109 1.00 0.00 N ATOM 1355 CA LEU A 84 -3.288 10.988 -5.190 1.00 0.00 C ATOM 1356 C LEU A 84 -4.287 10.567 -6.266 1.00 0.00 C ATOM 1357 O LEU A 84 -3.989 10.635 -7.462 1.00 0.00 O ATOM 1358 CB LEU A 84 -2.526 9.783 -4.625 1.00 0.00 C ATOM 1359 CG LEU A 84 -1.482 9.150 -5.552 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -0.434 8.410 -4.740 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -2.140 8.197 -6.530 1.00 0.00 C ATOM 0 H LEU A 84 -4.777 11.164 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.566 11.661 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.027 10.093 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.251 9.017 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.999 9.949 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.300 7.966 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.065 9.108 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.914 7.624 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.381 7.759 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.648 7.405 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.865 8.741 -7.136 1.00 0.00 H new ATOM 1373 N ARG A 85 -5.475 10.152 -5.835 1.00 0.00 N ATOM 1374 CA ARG A 85 -6.541 9.777 -6.760 1.00 0.00 C ATOM 1375 C ARG A 85 -6.949 10.962 -7.625 1.00 0.00 C ATOM 1376 O ARG A 85 -6.739 12.116 -7.238 1.00 0.00 O ATOM 1377 CB ARG A 85 -7.763 9.252 -5.998 1.00 0.00 C ATOM 1378 CG ARG A 85 -7.529 7.920 -5.310 1.00 0.00 C ATOM 1379 CD ARG A 85 -8.792 7.421 -4.627 1.00 0.00 C ATOM 1380 NE ARG A 85 -9.166 8.238 -3.470 1.00 0.00 N ATOM 1381 CZ ARG A 85 -10.157 7.919 -2.630 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -10.959 6.901 -2.902 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -10.385 8.653 -1.549 1.00 0.00 N ATOM 0 H ARG A 85 -5.724 10.067 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.158 8.985 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.058 9.989 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.597 9.150 -6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.194 7.185 -6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.732 8.024 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.612 7.417 -5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.644 6.390 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.643 9.096 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.822 6.357 -3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.714 6.660 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.803 9.467 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.143 8.403 -0.913 1.00 0.00 H new ATOM 1397 N LYS A 86 -7.504 10.662 -8.806 1.00 0.00 N ATOM 1398 CA LYS A 86 -7.944 11.679 -9.772 1.00 0.00 C ATOM 1399 C LYS A 86 -6.750 12.348 -10.461 1.00 0.00 C ATOM 1400 O LYS A 86 -6.871 12.879 -11.569 1.00 0.00 O ATOM 1401 CB LYS A 86 -8.844 12.723 -9.099 1.00 0.00 C ATOM 1402 CG LYS A 86 -10.127 12.136 -8.527 1.00 0.00 C ATOM 1403 CD LYS A 86 -11.280 12.218 -9.518 1.00 0.00 C ATOM 1404 CE LYS A 86 -11.867 13.619 -9.558 1.00 0.00 C ATOM 1405 NZ LYS A 86 -13.005 13.731 -10.508 1.00 0.00 N ATOM 0 H LYS A 86 -7.661 9.704 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.529 11.173 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.287 13.210 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.098 13.495 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.959 11.095 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.394 12.668 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.930 11.938 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.055 11.503 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.203 13.898 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.089 14.328 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.370 14.705 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.682 13.492 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.760 13.075 -10.224 1.00 0.00 H new ATOM 1419 N MET A 87 -5.600 12.301 -9.806 1.00 0.00 N ATOM 1420 CA MET A 87 -4.373 12.862 -10.349 1.00 0.00 C ATOM 1421 C MET A 87 -3.669 11.835 -11.219 1.00 0.00 C ATOM 1422 O MET A 87 -3.081 12.169 -12.249 1.00 0.00 O ATOM 1423 CB MET A 87 -3.450 13.303 -9.216 1.00 0.00 C ATOM 1424 CG MET A 87 -4.057 14.362 -8.313 1.00 0.00 C ATOM 1425 SD MET A 87 -2.970 14.812 -6.950 1.00 0.00 S ATOM 1426 CE MET A 87 -4.016 15.958 -6.055 1.00 0.00 C ATOM 0 H MET A 87 -5.491 11.874 -8.886 1.00 0.00 H new ATOM 0 HA MET A 87 -4.625 13.730 -10.958 1.00 0.00 H new ATOM 0 HB2 MET A 87 -3.186 12.433 -8.615 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.524 13.689 -9.643 1.00 0.00 H new ATOM 0 HG2 MET A 87 -4.283 15.251 -8.902 1.00 0.00 H new ATOM 0 HG3 MET A 87 -5.003 13.996 -7.914 1.00 0.00 H new ATOM 0 HE1 MET A 87 -3.484 16.328 -5.179 1.00 0.00 H new ATOM 0 HE2 MET A 87 -4.275 16.796 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 87 -4.926 15.449 -5.739 1.00 0.00 H new ATOM 1436 N GLY A 88 -3.744 10.586 -10.795 1.00 0.00 N ATOM 1437 CA GLY A 88 -3.141 9.502 -11.536 1.00 0.00 C ATOM 1438 C GLY A 88 -3.787 8.180 -11.199 1.00 0.00 C ATOM 1439 O GLY A 88 -3.134 7.131 -11.349 1.00 0.00 O ATOM 1440 OXT GLY A 88 -4.957 8.193 -10.763 1.00 0.00 O ATOM 0 H GLY A 88 -4.219 10.301 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.235 9.693 -12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.075 9.455 -11.313 1.00 0.00 H new TER 1444 GLY A 88