USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 612 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 20 THR OG1 : rot 65:sc= 2.03 USER MOD Set 1.2: A 23 CYS SG : rot -48:sc= 1.77 USER MOD Single : A 1 MET CE :methyl 163:sc= -2.86 (180deg=-3.57!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= -0.211 (180deg=-0.757) USER MOD Single : A 8 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.7!) USER MOD Single : A 9 SER OG : rot 75:sc= 0.0928 USER MOD Single : A 22 MET CE :methyl 161:sc= 0 (180deg=-0.307) USER MOD Single : A 24 ASN : amide:sc=-0.00595 X(o=-0.006,f=-0.15) USER MOD Single : A 31 ASN :FLIP amide:sc= 0.654 F(o=-0.16,f=0.65) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 48:sc= 0.466 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 81:sc= 1.17 USER MOD Single : A 50 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-1.4) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.57 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.4!) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.0361 (180deg=-0.355) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.152 F(o=-0.84,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -16:sc= 1.05 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.000 7.462 -6.295 1.00 0.00 N ATOM 2 CA MET A 1 -5.005 6.127 -5.639 1.00 0.00 C ATOM 3 C MET A 1 -4.961 6.261 -4.121 1.00 0.00 C ATOM 4 O MET A 1 -4.402 7.219 -3.588 1.00 0.00 O ATOM 5 CB MET A 1 -3.794 5.336 -6.136 1.00 0.00 C ATOM 6 CG MET A 1 -4.016 3.831 -6.153 1.00 0.00 C ATOM 7 SD MET A 1 -3.551 3.074 -7.722 1.00 0.00 S ATOM 8 CE MET A 1 -3.576 1.338 -7.283 1.00 0.00 C ATOM 0 H1 MET A 1 -5.030 7.342 -7.328 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.832 8.004 -5.985 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.134 7.975 -6.032 1.00 0.00 H new ATOM 0 HA MET A 1 -5.926 5.604 -5.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.541 5.669 -7.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.937 5.562 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.439 3.374 -5.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.066 3.621 -5.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.610 0.734 -8.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.677 1.093 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.456 1.129 -6.675 1.00 0.00 H new ATOM 20 N ARG A 2 -5.554 5.293 -3.430 1.00 0.00 N ATOM 21 CA ARG A 2 -5.584 5.301 -1.972 1.00 0.00 C ATOM 22 C ARG A 2 -4.920 4.048 -1.408 1.00 0.00 C ATOM 23 O ARG A 2 -4.938 2.990 -2.034 1.00 0.00 O ATOM 24 CB ARG A 2 -7.027 5.397 -1.470 1.00 0.00 C ATOM 25 CG ARG A 2 -7.756 6.641 -1.952 1.00 0.00 C ATOM 26 CD ARG A 2 -8.444 6.403 -3.286 1.00 0.00 C ATOM 27 NE ARG A 2 -9.562 5.470 -3.168 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.115 4.841 -4.203 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.659 5.043 -5.432 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.128 4.008 -4.007 1.00 0.00 N ATOM 0 H ARG A 2 -6.021 4.493 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.028 6.173 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.576 4.514 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.025 5.386 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.495 6.941 -1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.048 7.464 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.805 7.352 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.721 6.013 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.941 5.290 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.880 5.683 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.087 4.558 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.483 3.850 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.552 3.526 -4.799 1.00 0.00 H new ATOM 44 N ILE A 3 -4.338 4.176 -0.218 1.00 0.00 N ATOM 45 CA ILE A 3 -3.668 3.056 0.439 1.00 0.00 C ATOM 46 C ILE A 3 -4.536 1.801 0.435 1.00 0.00 C ATOM 47 O ILE A 3 -4.026 0.681 0.450 1.00 0.00 O ATOM 48 CB ILE A 3 -3.290 3.412 1.890 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.425 2.303 2.501 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.538 3.678 2.725 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.203 1.100 3.000 1.00 0.00 C ATOM 0 H ILE A 3 -4.317 5.047 0.313 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.760 2.853 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.702 4.330 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.704 1.969 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.855 2.720 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.247 3.927 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.094 4.510 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.166 2.787 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.512 0.367 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.905 1.415 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.752 0.653 2.171 1.00 0.00 H new ATOM 63 N ASP A 4 -5.850 1.995 0.416 1.00 0.00 N ATOM 64 CA ASP A 4 -6.785 0.876 0.413 1.00 0.00 C ATOM 65 C ASP A 4 -6.686 0.075 -0.884 1.00 0.00 C ATOM 66 O ASP A 4 -6.430 -1.125 -0.860 1.00 0.00 O ATOM 67 CB ASP A 4 -8.217 1.381 0.611 1.00 0.00 C ATOM 68 CG ASP A 4 -9.230 0.253 0.647 1.00 0.00 C ATOM 69 OD1 ASP A 4 -9.054 -0.679 1.460 1.00 0.00 O ATOM 70 OD2 ASP A 4 -10.199 0.301 -0.140 1.00 0.00 O ATOM 0 H ASP A 4 -6.291 2.915 0.402 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.521 0.216 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.274 1.946 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.471 2.068 -0.196 1.00 0.00 H new ATOM 75 N LYS A 5 -6.902 0.743 -2.011 1.00 0.00 N ATOM 76 CA LYS A 5 -6.849 0.085 -3.315 1.00 0.00 C ATOM 77 C LYS A 5 -5.445 0.130 -3.926 1.00 0.00 C ATOM 78 O LYS A 5 -5.213 -0.431 -4.996 1.00 0.00 O ATOM 79 CB LYS A 5 -7.848 0.737 -4.271 1.00 0.00 C ATOM 80 CG LYS A 5 -8.254 -0.157 -5.431 1.00 0.00 C ATOM 81 CD LYS A 5 -9.657 0.169 -5.921 1.00 0.00 C ATOM 82 CE LYS A 5 -10.708 -0.214 -4.891 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.532 -1.611 -4.409 1.00 0.00 N ATOM 0 H LYS A 5 -7.116 1.740 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.111 -0.962 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.740 1.021 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.414 1.655 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.544 -0.037 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.209 -1.201 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.730 1.235 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.850 -0.360 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.653 0.471 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.701 -0.103 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.462 -2.024 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.064 -2.176 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.947 -1.610 -3.549 1.00 0.00 H new ATOM 97 N PHE A 6 -4.519 0.816 -3.261 1.00 0.00 N ATOM 98 CA PHE A 6 -3.155 0.944 -3.767 1.00 0.00 C ATOM 99 C PHE A 6 -2.346 -0.336 -3.578 1.00 0.00 C ATOM 100 O PHE A 6 -1.984 -0.999 -4.550 1.00 0.00 O ATOM 101 CB PHE A 6 -2.447 2.110 -3.077 1.00 0.00 C ATOM 102 CG PHE A 6 -1.071 2.381 -3.616 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.004 1.564 -3.273 1.00 0.00 C ATOM 104 CD2 PHE A 6 -0.844 3.451 -4.466 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.262 1.812 -3.769 1.00 0.00 C ATOM 106 CE2 PHE A 6 0.420 3.702 -4.965 1.00 0.00 C ATOM 107 CZ PHE A 6 1.475 2.882 -4.616 1.00 0.00 C ATOM 0 H PHE A 6 -4.687 1.290 -2.374 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.224 1.134 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.054 3.009 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.375 1.901 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.164 0.725 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.665 4.097 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.085 1.169 -3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.583 4.539 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.464 3.077 -5.004 1.00 0.00 H new ATOM 117 N LEU A 7 -2.042 -0.668 -2.328 1.00 0.00 N ATOM 118 CA LEU A 7 -1.250 -1.856 -2.024 1.00 0.00 C ATOM 119 C LEU A 7 -2.090 -3.130 -2.070 1.00 0.00 C ATOM 120 O LEU A 7 -1.550 -4.236 -2.067 1.00 0.00 O ATOM 121 CB LEU A 7 -0.587 -1.711 -0.654 1.00 0.00 C ATOM 122 CG LEU A 7 -1.549 -1.575 0.527 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.123 -2.929 0.910 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.838 -0.941 1.715 1.00 0.00 C ATOM 0 H LEU A 7 -2.331 -0.133 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.481 -1.943 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.051 -2.578 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.063 -0.836 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.374 -0.928 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.805 -2.810 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.664 -3.348 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.313 -3.601 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.534 -0.850 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.004 -1.567 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.474 0.048 1.436 1.00 0.00 H new ATOM 136 N GLN A 8 -3.406 -2.975 -2.114 1.00 0.00 N ATOM 137 CA GLN A 8 -4.303 -4.120 -2.161 1.00 0.00 C ATOM 138 C GLN A 8 -4.594 -4.536 -3.603 1.00 0.00 C ATOM 139 O GLN A 8 -5.048 -5.652 -3.856 1.00 0.00 O ATOM 140 CB GLN A 8 -5.605 -3.792 -1.435 1.00 0.00 C ATOM 141 CG GLN A 8 -5.402 -3.412 0.023 1.00 0.00 C ATOM 142 CD GLN A 8 -6.707 -3.305 0.785 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.014 -2.267 1.371 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.485 -4.382 0.781 1.00 0.00 N ATOM 0 H GLN A 8 -3.875 -2.069 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.814 -4.956 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.104 -2.971 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.270 -4.654 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.765 -4.155 0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.875 -2.459 0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.191 -5.222 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.376 -4.369 1.277 1.00 0.00 H new ATOM 153 N SER A 9 -4.329 -3.633 -4.545 1.00 0.00 N ATOM 154 CA SER A 9 -4.561 -3.912 -5.957 1.00 0.00 C ATOM 155 C SER A 9 -3.259 -4.277 -6.663 1.00 0.00 C ATOM 156 O SER A 9 -3.262 -5.015 -7.648 1.00 0.00 O ATOM 157 CB SER A 9 -5.201 -2.700 -6.638 1.00 0.00 C ATOM 158 OG SER A 9 -6.420 -2.347 -6.010 1.00 0.00 O ATOM 0 H SER A 9 -3.954 -2.704 -4.355 1.00 0.00 H new ATOM 0 HA SER A 9 -5.240 -4.762 -6.026 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.513 -1.855 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.381 -2.923 -7.690 1.00 0.00 H new ATOM 0 HG SER A 9 -6.232 -1.902 -5.157 1.00 0.00 H new ATOM 164 N VAL A 10 -2.146 -3.754 -6.155 1.00 0.00 N ATOM 165 CA VAL A 10 -0.837 -4.023 -6.739 1.00 0.00 C ATOM 166 C VAL A 10 -0.565 -5.523 -6.820 1.00 0.00 C ATOM 167 O VAL A 10 0.140 -5.988 -7.716 1.00 0.00 O ATOM 168 CB VAL A 10 0.290 -3.354 -5.929 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.198 -1.840 -6.037 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.240 -3.798 -4.476 1.00 0.00 C ATOM 0 H VAL A 10 -2.126 -3.141 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.851 -3.604 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 10 1.247 -3.667 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.002 -1.384 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.290 -1.544 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.764 -1.505 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.044 -3.315 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.720 -3.518 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.361 -4.880 -4.422 1.00 0.00 H new ATOM 180 N GLY A 11 -1.129 -6.275 -5.881 1.00 0.00 N ATOM 181 CA GLY A 11 -0.936 -7.714 -5.867 1.00 0.00 C ATOM 182 C GLY A 11 -0.428 -8.229 -4.532 1.00 0.00 C ATOM 183 O GLY A 11 -0.280 -9.436 -4.344 1.00 0.00 O ATOM 0 H GLY A 11 -1.716 -5.914 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.880 -8.204 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.229 -7.988 -6.650 1.00 0.00 H new ATOM 187 N LEU A 12 -0.159 -7.317 -3.601 1.00 0.00 N ATOM 188 CA LEU A 12 0.334 -7.696 -2.283 1.00 0.00 C ATOM 189 C LEU A 12 -0.701 -8.531 -1.535 1.00 0.00 C ATOM 190 O LEU A 12 -0.482 -9.712 -1.264 1.00 0.00 O ATOM 191 CB LEU A 12 0.690 -6.448 -1.471 1.00 0.00 C ATOM 192 CG LEU A 12 2.188 -6.165 -1.345 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.445 -4.668 -1.289 1.00 0.00 C ATOM 194 CD2 LEU A 12 2.756 -6.853 -0.111 1.00 0.00 C ATOM 0 H LEU A 12 -0.274 -6.313 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 12 1.231 -8.300 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.210 -5.584 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.270 -6.551 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 12 2.691 -6.566 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.516 -4.486 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.072 -4.201 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.931 -4.243 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.823 -6.642 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.249 -6.481 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.604 -7.929 -0.192 1.00 0.00 H new ATOM 206 N VAL A 13 -1.828 -7.910 -1.202 1.00 0.00 N ATOM 207 CA VAL A 13 -2.895 -8.597 -0.483 1.00 0.00 C ATOM 208 C VAL A 13 -4.116 -8.803 -1.375 1.00 0.00 C ATOM 209 O VAL A 13 -4.532 -7.895 -2.093 1.00 0.00 O ATOM 210 CB VAL A 13 -3.318 -7.814 0.774 1.00 0.00 C ATOM 211 CG1 VAL A 13 -2.240 -7.894 1.842 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.627 -6.367 0.422 1.00 0.00 C ATOM 0 H VAL A 13 -2.026 -6.933 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.500 -9.568 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.225 -8.267 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.557 -7.335 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.075 -8.936 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.314 -7.468 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.924 -5.829 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.740 -5.899 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.439 -6.335 -0.305 1.00 0.00 H new ATOM 337 N THR A 20 -12.482 -2.797 4.704 1.00 0.00 N ATOM 338 CA THR A 20 -11.151 -2.336 5.085 1.00 0.00 C ATOM 339 C THR A 20 -10.987 -2.352 6.601 1.00 0.00 C ATOM 340 O THR A 20 -11.458 -1.452 7.295 1.00 0.00 O ATOM 341 CB THR A 20 -10.905 -0.925 4.547 1.00 0.00 C ATOM 342 OG1 THR A 20 -11.615 0.034 5.310 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.316 -0.754 3.101 1.00 0.00 C ATOM 0 HA THR A 20 -10.417 -3.015 4.650 1.00 0.00 H new ATOM 0 HB THR A 20 -9.828 -0.773 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.266 0.047 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.114 0.269 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.749 -1.445 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.381 -0.962 2.998 1.00 0.00 H new ATOM 351 N ASP A 21 -10.321 -3.383 7.110 1.00 0.00 N ATOM 352 CA ASP A 21 -10.099 -3.517 8.545 1.00 0.00 C ATOM 353 C ASP A 21 -8.723 -2.989 8.938 1.00 0.00 C ATOM 354 O ASP A 21 -8.527 -2.504 10.052 1.00 0.00 O ATOM 355 CB ASP A 21 -10.240 -4.979 8.971 1.00 0.00 C ATOM 356 CG ASP A 21 -11.110 -5.142 10.202 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.302 -4.774 10.140 1.00 0.00 O ATOM 358 OD2 ASP A 21 -10.600 -5.638 11.228 1.00 0.00 O ATOM 0 H ASP A 21 -9.925 -4.138 6.550 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.854 -2.922 9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.667 -5.554 8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.252 -5.393 9.171 1.00 0.00 H new ATOM 363 N MET A 22 -7.770 -3.086 8.015 1.00 0.00 N ATOM 364 CA MET A 22 -6.411 -2.620 8.265 1.00 0.00 C ATOM 365 C MET A 22 -6.401 -1.142 8.649 1.00 0.00 C ATOM 366 O MET A 22 -5.508 -0.681 9.361 1.00 0.00 O ATOM 367 CB MET A 22 -5.537 -2.843 7.030 1.00 0.00 C ATOM 368 CG MET A 22 -5.026 -4.268 6.896 1.00 0.00 C ATOM 369 SD MET A 22 -4.856 -4.787 5.178 1.00 0.00 S ATOM 370 CE MET A 22 -3.957 -6.323 5.376 1.00 0.00 C ATOM 0 H MET A 22 -7.915 -3.484 7.087 1.00 0.00 H new ATOM 0 HA MET A 22 -6.006 -3.195 9.098 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.109 -2.586 6.139 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.686 -2.163 7.070 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.060 -4.352 7.394 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.709 -4.944 7.410 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.064 -6.926 4.474 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.902 -6.108 5.545 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.357 -6.871 6.229 1.00 0.00 H new ATOM 380 N CYS A 23 -7.397 -0.404 8.172 1.00 0.00 N ATOM 381 CA CYS A 23 -7.502 1.021 8.462 1.00 0.00 C ATOM 382 C CYS A 23 -7.994 1.258 9.888 1.00 0.00 C ATOM 383 O CYS A 23 -7.711 2.294 10.487 1.00 0.00 O ATOM 384 CB CYS A 23 -8.445 1.696 7.463 1.00 0.00 C ATOM 385 SG CYS A 23 -10.166 1.155 7.588 1.00 0.00 S ATOM 0 H CYS A 23 -8.144 -0.770 7.582 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.508 1.458 8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.403 2.775 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.087 1.500 6.452 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.211 -0.144 7.625 1.00 0.00 H new ATOM 391 N ASN A 24 -8.736 0.292 10.424 1.00 0.00 N ATOM 392 CA ASN A 24 -9.267 0.402 11.778 1.00 0.00 C ATOM 393 C ASN A 24 -8.270 -0.128 12.804 1.00 0.00 C ATOM 394 O ASN A 24 -8.005 0.518 13.818 1.00 0.00 O ATOM 395 CB ASN A 24 -10.591 -0.359 11.891 1.00 0.00 C ATOM 396 CG ASN A 24 -11.715 0.511 12.418 1.00 0.00 C ATOM 397 OD1 ASN A 24 -11.529 1.284 13.358 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.892 0.389 11.813 1.00 0.00 N ATOM 0 H ASN A 24 -8.982 -0.573 9.942 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.442 1.457 11.987 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.867 -0.750 10.912 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.459 -1.216 12.551 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.686 0.949 12.124 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.001 -0.264 11.037 1.00 0.00 H new ATOM 405 N VAL A 25 -7.721 -1.309 12.536 1.00 0.00 N ATOM 406 CA VAL A 25 -6.754 -1.926 13.438 1.00 0.00 C ATOM 407 C VAL A 25 -5.553 -1.015 13.668 1.00 0.00 C ATOM 408 O VAL A 25 -4.951 -1.024 14.742 1.00 0.00 O ATOM 409 CB VAL A 25 -6.260 -3.280 12.894 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.408 -4.275 12.813 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.603 -3.101 11.534 1.00 0.00 C ATOM 0 H VAL A 25 -7.929 -1.858 11.702 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.268 -2.089 14.385 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.514 -3.677 13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.039 -5.225 12.427 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.829 -4.426 13.807 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.179 -3.887 12.147 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.260 -4.068 11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.325 -2.681 10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.752 -2.426 11.627 1.00 0.00 H new ATOM 421 N GLY A 26 -5.209 -0.228 12.654 1.00 0.00 N ATOM 422 CA GLY A 26 -4.081 0.679 12.766 1.00 0.00 C ATOM 423 C GLY A 26 -2.954 0.329 11.812 1.00 0.00 C ATOM 424 O GLY A 26 -1.800 0.685 12.051 1.00 0.00 O ATOM 0 H GLY A 26 -5.692 -0.202 11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.417 1.697 12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.705 0.661 13.789 1.00 0.00 H new ATOM 428 N ALA A 27 -3.287 -0.367 10.729 1.00 0.00 N ATOM 429 CA ALA A 27 -2.294 -0.761 9.739 1.00 0.00 C ATOM 430 C ALA A 27 -2.112 0.326 8.684 1.00 0.00 C ATOM 431 O ALA A 27 -1.033 0.475 8.111 1.00 0.00 O ATOM 432 CB ALA A 27 -2.694 -2.074 9.082 1.00 0.00 C ATOM 0 H ALA A 27 -4.238 -0.669 10.516 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.342 -0.900 10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.942 -2.356 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.768 -2.853 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.659 -1.955 8.589 1.00 0.00 H new ATOM 438 N VAL A 28 -3.176 1.082 8.433 1.00 0.00 N ATOM 439 CA VAL A 28 -3.135 2.155 7.448 1.00 0.00 C ATOM 440 C VAL A 28 -2.522 3.421 8.039 1.00 0.00 C ATOM 441 O VAL A 28 -3.135 4.091 8.870 1.00 0.00 O ATOM 442 CB VAL A 28 -4.545 2.476 6.910 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.493 3.618 5.907 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.169 1.238 6.285 1.00 0.00 C ATOM 0 H VAL A 28 -4.077 0.971 8.898 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.512 1.807 6.624 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.168 2.790 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.498 3.827 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.090 4.508 6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.853 3.338 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.163 1.481 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.545 0.893 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.247 0.451 7.035 1.00 0.00 H new ATOM 454 N TRP A 29 -1.311 3.744 7.598 1.00 0.00 N ATOM 455 CA TRP A 29 -0.612 4.929 8.077 1.00 0.00 C ATOM 456 C TRP A 29 0.239 5.535 6.965 1.00 0.00 C ATOM 457 O TRP A 29 1.253 4.964 6.564 1.00 0.00 O ATOM 458 CB TRP A 29 0.271 4.582 9.276 1.00 0.00 C ATOM 459 CG TRP A 29 -0.451 4.650 10.589 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.467 3.840 11.009 1.00 0.00 C ATOM 461 CD2 TRP A 29 -0.211 5.579 11.652 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.874 4.209 12.268 1.00 0.00 N ATOM 463 CE2 TRP A 29 -1.118 5.273 12.684 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.683 6.638 11.832 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -1.156 5.990 13.879 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.645 7.347 13.017 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.269 7.021 14.027 1.00 0.00 C ATOM 0 H TRP A 29 -0.793 3.200 6.908 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.358 5.661 8.388 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.673 3.578 9.143 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.120 5.265 9.301 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.889 3.028 10.435 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.618 3.763 12.805 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.391 6.897 11.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.860 5.741 14.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.332 8.167 13.167 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.274 7.595 14.942 1.00 0.00 H new ATOM 478 N LEU A 30 -0.185 6.690 6.470 1.00 0.00 N ATOM 479 CA LEU A 30 0.532 7.374 5.401 1.00 0.00 C ATOM 480 C LEU A 30 1.384 8.513 5.955 1.00 0.00 C ATOM 481 O LEU A 30 0.916 9.317 6.761 1.00 0.00 O ATOM 482 CB LEU A 30 -0.456 7.915 4.362 1.00 0.00 C ATOM 483 CG LEU A 30 -0.379 7.249 2.988 1.00 0.00 C ATOM 484 CD1 LEU A 30 0.932 7.595 2.299 1.00 0.00 C ATOM 485 CD2 LEU A 30 -0.531 5.740 3.119 1.00 0.00 C ATOM 0 H LEU A 30 -1.023 7.174 6.792 1.00 0.00 H new ATOM 0 HA LEU A 30 1.194 6.653 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.468 7.798 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.283 8.984 4.241 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.198 7.627 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.968 7.112 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.002 8.675 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.766 7.246 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.474 5.281 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.268 5.347 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.496 5.509 3.571 1.00 0.00 H new ATOM 497 N ASN A 31 2.637 8.575 5.515 1.00 0.00 N ATOM 498 CA ASN A 31 3.555 9.616 5.963 1.00 0.00 C ATOM 499 C ASN A 31 3.702 9.599 7.482 1.00 0.00 C ATOM 500 O ASN A 31 3.756 10.650 8.122 1.00 0.00 O ATOM 501 CB ASN A 31 3.066 10.990 5.501 1.00 0.00 C ATOM 502 CG ASN A 31 4.195 11.993 5.374 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.275 12.652 4.224 1.00 0.00 O flip ATOM 504 ND2 ASN A 31 4.987 12.175 6.299 1.00 0.00 N flip ATOM 0 H ASN A 31 3.040 7.916 4.848 1.00 0.00 H new ATOM 0 HA ASN A 31 4.531 9.418 5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.564 10.889 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.327 11.366 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.889 11.647 7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.741 12.854 6.198 1.00 0.00 H new ATOM 511 N GLY A 32 3.765 8.401 8.052 1.00 0.00 N ATOM 512 CA GLY A 32 3.903 8.271 9.491 1.00 0.00 C ATOM 513 C GLY A 32 2.719 8.848 10.240 1.00 0.00 C ATOM 514 O GLY A 32 2.855 9.297 11.379 1.00 0.00 O ATOM 0 H GLY A 32 3.723 7.518 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.014 7.218 9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.814 8.776 9.813 1.00 0.00 H new ATOM 518 N SER A 33 1.554 8.835 9.601 1.00 0.00 N ATOM 519 CA SER A 33 0.340 9.360 10.213 1.00 0.00 C ATOM 520 C SER A 33 -0.840 8.424 9.970 1.00 0.00 C ATOM 521 O SER A 33 -0.945 7.803 8.913 1.00 0.00 O ATOM 522 CB SER A 33 0.024 10.751 9.659 1.00 0.00 C ATOM 523 OG SER A 33 -0.536 11.584 10.659 1.00 0.00 O ATOM 0 H SER A 33 1.425 8.466 8.659 1.00 0.00 H new ATOM 0 HA SER A 33 0.508 9.434 11.287 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.935 11.206 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.670 10.664 8.823 1.00 0.00 H new ATOM 0 HG SER A 33 -0.727 12.467 10.280 1.00 0.00 H new ATOM 529 N CYS A 34 -1.725 8.328 10.957 1.00 0.00 N ATOM 530 CA CYS A 34 -2.898 7.466 10.849 1.00 0.00 C ATOM 531 C CYS A 34 -3.766 7.873 9.664 1.00 0.00 C ATOM 532 O CYS A 34 -4.272 8.994 9.608 1.00 0.00 O ATOM 533 CB CYS A 34 -3.717 7.524 12.140 1.00 0.00 C ATOM 534 SG CYS A 34 -4.663 6.021 12.480 1.00 0.00 S ATOM 0 H CYS A 34 -1.653 8.835 11.839 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.554 6.444 10.689 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.044 7.715 12.976 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.404 8.368 12.085 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.895 4.983 12.335 1.00 0.00 H new ATOM 540 N ALA A 35 -3.933 6.956 8.718 1.00 0.00 N ATOM 541 CA ALA A 35 -4.740 7.217 7.531 1.00 0.00 C ATOM 542 C ALA A 35 -5.944 6.285 7.470 1.00 0.00 C ATOM 543 O ALA A 35 -6.016 5.297 8.201 1.00 0.00 O ATOM 544 CB ALA A 35 -3.894 7.070 6.276 1.00 0.00 C ATOM 0 H ALA A 35 -3.520 6.024 8.750 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.109 8.241 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.509 7.267 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.068 7.781 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.498 6.056 6.221 1.00 0.00 H new ATOM 550 N LYS A 36 -6.889 6.605 6.594 1.00 0.00 N ATOM 551 CA LYS A 36 -8.092 5.795 6.436 1.00 0.00 C ATOM 552 C LYS A 36 -8.012 4.945 5.173 1.00 0.00 C ATOM 553 O LYS A 36 -6.975 4.895 4.511 1.00 0.00 O ATOM 554 CB LYS A 36 -9.332 6.690 6.386 1.00 0.00 C ATOM 555 CG LYS A 36 -10.540 6.094 7.089 1.00 0.00 C ATOM 556 CD LYS A 36 -11.369 7.168 7.777 1.00 0.00 C ATOM 557 CE LYS A 36 -12.725 6.634 8.207 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.241 7.338 9.415 1.00 0.00 N ATOM 0 H LYS A 36 -6.846 7.420 5.982 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.168 5.130 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.095 7.651 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.588 6.885 5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.158 5.563 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.209 5.361 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.831 7.542 8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.507 8.012 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.436 6.748 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.646 5.567 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.168 6.945 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.575 7.208 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.341 8.353 9.209 1.00 0.00 H new ATOM 572 N ALA A 37 -9.113 4.278 4.841 1.00 0.00 N ATOM 573 CA ALA A 37 -9.165 3.431 3.656 1.00 0.00 C ATOM 574 C ALA A 37 -9.729 4.189 2.457 1.00 0.00 C ATOM 575 O ALA A 37 -10.305 3.591 1.548 1.00 0.00 O ATOM 576 CB ALA A 37 -9.995 2.187 3.933 1.00 0.00 C ATOM 0 H ALA A 37 -9.981 4.308 5.376 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.146 3.130 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.025 1.563 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.546 1.625 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.009 2.479 4.206 1.00 0.00 H new ATOM 582 N SER A 38 -9.557 5.507 2.459 1.00 0.00 N ATOM 583 CA SER A 38 -10.047 6.344 1.371 1.00 0.00 C ATOM 584 C SER A 38 -9.201 7.608 1.235 1.00 0.00 C ATOM 585 O SER A 38 -9.683 8.642 0.772 1.00 0.00 O ATOM 586 CB SER A 38 -11.512 6.716 1.605 1.00 0.00 C ATOM 587 OG SER A 38 -12.315 6.352 0.496 1.00 0.00 O ATOM 0 H SER A 38 -9.082 6.018 3.203 1.00 0.00 H new ATOM 0 HA SER A 38 -9.970 5.776 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.878 6.217 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.594 7.789 1.781 1.00 0.00 H new ATOM 0 HG SER A 38 -13.247 6.599 0.672 1.00 0.00 H new ATOM 593 N LYS A 39 -7.938 7.518 1.643 1.00 0.00 N ATOM 594 CA LYS A 39 -7.027 8.654 1.567 1.00 0.00 C ATOM 595 C LYS A 39 -6.111 8.533 0.352 1.00 0.00 C ATOM 596 O LYS A 39 -5.406 7.538 0.191 1.00 0.00 O ATOM 597 CB LYS A 39 -6.193 8.751 2.848 1.00 0.00 C ATOM 598 CG LYS A 39 -6.531 9.962 3.703 1.00 0.00 C ATOM 599 CD LYS A 39 -5.346 10.905 3.835 1.00 0.00 C ATOM 600 CE LYS A 39 -5.777 12.360 3.750 1.00 0.00 C ATOM 601 NZ LYS A 39 -5.565 12.923 2.388 1.00 0.00 N ATOM 0 H LYS A 39 -7.523 6.670 2.029 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.621 9.562 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.342 7.847 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.137 8.788 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.373 10.495 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.846 9.632 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.844 10.729 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.622 10.693 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.831 12.443 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.217 12.948 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.871 13.917 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.556 12.868 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.120 12.378 1.697 1.00 0.00 H new ATOM 615 N GLU A 40 -6.128 9.554 -0.499 1.00 0.00 N ATOM 616 CA GLU A 40 -5.300 9.562 -1.698 1.00 0.00 C ATOM 617 C GLU A 40 -3.820 9.631 -1.339 1.00 0.00 C ATOM 618 O GLU A 40 -3.440 10.241 -0.340 1.00 0.00 O ATOM 619 CB GLU A 40 -5.674 10.744 -2.595 1.00 0.00 C ATOM 620 CG GLU A 40 -6.755 10.418 -3.612 1.00 0.00 C ATOM 621 CD GLU A 40 -8.082 11.075 -3.286 1.00 0.00 C ATOM 622 OE1 GLU A 40 -8.313 11.389 -2.100 1.00 0.00 O ATOM 623 OE2 GLU A 40 -8.890 11.275 -4.218 1.00 0.00 O ATOM 0 H GLU A 40 -6.706 10.386 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.481 8.633 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.012 11.571 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.783 11.086 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.428 10.741 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.891 9.337 -3.658 1.00 0.00 H new ATOM 630 N VAL A 41 -2.988 9.002 -2.162 1.00 0.00 N ATOM 631 CA VAL A 41 -1.548 8.991 -1.934 1.00 0.00 C ATOM 632 C VAL A 41 -0.794 9.467 -3.169 1.00 0.00 C ATOM 633 O VAL A 41 -1.198 9.194 -4.300 1.00 0.00 O ATOM 634 CB VAL A 41 -1.048 7.585 -1.552 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.522 7.209 -0.157 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.510 6.558 -2.576 1.00 0.00 C ATOM 0 H VAL A 41 -3.287 8.493 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.355 9.673 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 41 0.042 7.596 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.159 6.213 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.136 7.929 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.612 7.216 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.148 5.571 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.599 6.548 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.114 6.819 -3.557 1.00 0.00 H new ATOM 646 N LYS A 42 0.304 10.182 -2.947 1.00 0.00 N ATOM 647 CA LYS A 42 1.116 10.696 -4.043 1.00 0.00 C ATOM 648 C LYS A 42 2.431 9.932 -4.152 1.00 0.00 C ATOM 649 O LYS A 42 2.755 9.110 -3.295 1.00 0.00 O ATOM 650 CB LYS A 42 1.394 12.188 -3.844 1.00 0.00 C ATOM 651 CG LYS A 42 1.803 12.546 -2.424 1.00 0.00 C ATOM 652 CD LYS A 42 0.624 13.068 -1.619 1.00 0.00 C ATOM 653 CE LYS A 42 1.056 13.540 -0.241 1.00 0.00 C ATOM 654 NZ LYS A 42 0.342 14.782 0.169 1.00 0.00 N ATOM 0 H LYS A 42 0.652 10.418 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 42 0.559 10.558 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.183 12.497 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.501 12.754 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.220 11.667 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.589 13.300 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.152 13.891 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.125 12.283 -1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.865 12.753 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.131 13.722 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.664 15.072 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.545 15.540 -0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.682 14.602 0.193 1.00 0.00 H new ATOM 668 N ALA A 43 3.185 10.209 -5.210 1.00 0.00 N ATOM 669 CA ALA A 43 4.465 9.548 -5.430 1.00 0.00 C ATOM 670 C ALA A 43 5.512 10.036 -4.437 1.00 0.00 C ATOM 671 O ALA A 43 5.740 11.238 -4.299 1.00 0.00 O ATOM 672 CB ALA A 43 4.940 9.780 -6.856 1.00 0.00 C ATOM 0 H ALA A 43 2.931 10.887 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 43 4.325 8.478 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.897 9.281 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.207 9.376 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.057 10.849 -7.031 1.00 0.00 H new ATOM 678 N GLY A 44 6.146 9.095 -3.745 1.00 0.00 N ATOM 679 CA GLY A 44 7.162 9.445 -2.772 1.00 0.00 C ATOM 680 C GLY A 44 6.619 9.482 -1.357 1.00 0.00 C ATOM 681 O GLY A 44 7.121 10.220 -0.510 1.00 0.00 O ATOM 0 H GLY A 44 5.973 8.094 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.977 8.724 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.581 10.419 -3.023 1.00 0.00 H new ATOM 685 N ASP A 45 5.587 8.683 -1.101 1.00 0.00 N ATOM 686 CA ASP A 45 4.974 8.627 0.220 1.00 0.00 C ATOM 687 C ASP A 45 5.336 7.327 0.931 1.00 0.00 C ATOM 688 O ASP A 45 5.631 6.319 0.291 1.00 0.00 O ATOM 689 CB ASP A 45 3.455 8.753 0.106 1.00 0.00 C ATOM 690 CG ASP A 45 2.999 10.197 0.026 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.778 11.038 -0.470 1.00 0.00 O ATOM 692 OD2 ASP A 45 1.864 10.486 0.460 1.00 0.00 O ATOM 0 H ASP A 45 5.159 8.066 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 45 5.357 9.461 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.114 8.218 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.988 8.274 0.967 1.00 0.00 H new ATOM 697 N THR A 46 5.310 7.358 2.260 1.00 0.00 N ATOM 698 CA THR A 46 5.636 6.182 3.057 1.00 0.00 C ATOM 699 C THR A 46 4.372 5.423 3.452 1.00 0.00 C ATOM 700 O THR A 46 3.522 5.947 4.172 1.00 0.00 O ATOM 701 CB THR A 46 6.412 6.587 4.310 1.00 0.00 C ATOM 702 OG1 THR A 46 7.555 7.350 3.966 1.00 0.00 O ATOM 703 CG2 THR A 46 6.879 5.405 5.133 1.00 0.00 C ATOM 0 H THR A 46 5.067 8.184 2.806 1.00 0.00 H new ATOM 0 HA THR A 46 6.258 5.525 2.449 1.00 0.00 H new ATOM 0 HB THR A 46 5.712 7.171 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.038 7.601 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.423 5.763 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.016 4.823 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.535 4.778 4.529 1.00 0.00 H new ATOM 711 N ILE A 47 4.257 4.189 2.976 1.00 0.00 N ATOM 712 CA ILE A 47 3.100 3.357 3.279 1.00 0.00 C ATOM 713 C ILE A 47 3.410 2.373 4.402 1.00 0.00 C ATOM 714 O ILE A 47 4.032 1.334 4.175 1.00 0.00 O ATOM 715 CB ILE A 47 2.631 2.574 2.037 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.482 3.517 0.842 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.321 1.858 2.326 1.00 0.00 C ATOM 718 CD1 ILE A 47 2.025 2.824 -0.423 1.00 0.00 C ATOM 0 H ILE A 47 4.952 3.742 2.378 1.00 0.00 H new ATOM 0 HA ILE A 47 2.302 4.027 3.598 1.00 0.00 H new ATOM 0 HB ILE A 47 3.382 1.824 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.768 4.301 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.438 4.005 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.003 1.310 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.462 1.161 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.558 2.589 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.941 3.554 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.750 2.059 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.054 2.359 -0.253 1.00 0.00 H new ATOM 730 N SER A 48 2.974 2.705 5.612 1.00 0.00 N ATOM 731 CA SER A 48 3.208 1.849 6.770 1.00 0.00 C ATOM 732 C SER A 48 2.161 0.743 6.852 1.00 0.00 C ATOM 733 O SER A 48 1.013 0.930 6.451 1.00 0.00 O ATOM 734 CB SER A 48 3.191 2.680 8.054 1.00 0.00 C ATOM 735 OG SER A 48 3.520 4.033 7.790 1.00 0.00 O ATOM 0 H SER A 48 2.457 3.560 5.817 1.00 0.00 H new ATOM 0 HA SER A 48 4.188 1.386 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.204 2.625 8.513 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.899 2.263 8.770 1.00 0.00 H new ATOM 0 HG SER A 48 2.727 4.504 7.460 1.00 0.00 H new ATOM 741 N LEU A 49 2.566 -0.409 7.376 1.00 0.00 N ATOM 742 CA LEU A 49 1.667 -1.548 7.513 1.00 0.00 C ATOM 743 C LEU A 49 1.873 -2.245 8.855 1.00 0.00 C ATOM 744 O LEU A 49 3.004 -2.424 9.304 1.00 0.00 O ATOM 745 CB LEU A 49 1.889 -2.541 6.369 1.00 0.00 C ATOM 746 CG LEU A 49 0.926 -2.399 5.189 1.00 0.00 C ATOM 747 CD1 LEU A 49 -0.514 -2.542 5.655 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.133 -1.063 4.489 1.00 0.00 C ATOM 0 H LEU A 49 3.514 -0.578 7.713 1.00 0.00 H new ATOM 0 HA LEU A 49 0.643 -1.178 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.909 -2.426 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.806 -3.553 6.766 1.00 0.00 H new ATOM 0 HG LEU A 49 1.136 -3.196 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.185 -2.438 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.654 -3.523 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.738 -1.768 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.440 -0.979 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.951 -0.251 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.157 -1.001 4.120 1.00 0.00 H new ATOM 760 N HIS A 50 0.773 -2.635 9.491 1.00 0.00 N ATOM 761 CA HIS A 50 0.838 -3.312 10.782 1.00 0.00 C ATOM 762 C HIS A 50 0.686 -4.821 10.617 1.00 0.00 C ATOM 763 O HIS A 50 -0.378 -5.311 10.241 1.00 0.00 O ATOM 764 CB HIS A 50 -0.249 -2.778 11.717 1.00 0.00 C ATOM 765 CG HIS A 50 -0.077 -3.209 13.141 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.923 -4.063 13.554 1.00 0.00 N ATOM 767 CD2 HIS A 50 -0.786 -2.897 14.252 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.822 -4.260 14.857 1.00 0.00 C ATOM 769 NE2 HIS A 50 -0.206 -3.564 15.304 1.00 0.00 N ATOM 0 H HIS A 50 -0.172 -2.494 9.135 1.00 0.00 H new ATOM 0 HA HIS A 50 1.816 -3.110 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.252 -1.689 11.673 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.222 -3.114 11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.646 -2.246 14.302 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.470 -4.884 15.454 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.520 -3.527 16.274 1.00 0.00 H new ATOM 778 N TYR A 51 1.759 -5.552 10.905 1.00 0.00 N ATOM 779 CA TYR A 51 1.746 -7.007 10.792 1.00 0.00 C ATOM 780 C TYR A 51 2.026 -7.659 12.142 1.00 0.00 C ATOM 781 O TYR A 51 2.180 -6.973 13.153 1.00 0.00 O ATOM 782 CB TYR A 51 2.781 -7.469 9.764 1.00 0.00 C ATOM 783 CG TYR A 51 2.289 -7.400 8.336 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.792 -6.214 7.810 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.323 -8.519 7.515 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.339 -6.146 6.507 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.873 -8.459 6.209 1.00 0.00 C ATOM 788 CZ TYR A 51 1.383 -7.271 5.710 1.00 0.00 C ATOM 789 OH TYR A 51 0.934 -7.208 4.411 1.00 0.00 O ATOM 0 H TYR A 51 2.648 -5.161 11.218 1.00 0.00 H new ATOM 0 HA TYR A 51 0.754 -7.313 10.460 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.676 -6.855 9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.072 -8.495 9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.759 -5.331 8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.707 -9.451 7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.952 -5.217 6.114 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.905 -9.338 5.583 1.00 0.00 H new ATOM 0 HH TYR A 51 1.035 -8.086 3.987 1.00 0.00 H new ATOM 799 N LEU A 52 2.090 -8.986 12.152 1.00 0.00 N ATOM 800 CA LEU A 52 2.350 -9.730 13.380 1.00 0.00 C ATOM 801 C LEU A 52 3.848 -9.895 13.613 1.00 0.00 C ATOM 802 O LEU A 52 4.314 -9.880 14.752 1.00 0.00 O ATOM 803 CB LEU A 52 1.676 -11.101 13.322 1.00 0.00 C ATOM 804 CG LEU A 52 1.941 -11.900 12.042 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.465 -13.288 12.373 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.677 -11.993 11.199 1.00 0.00 C ATOM 0 H LEU A 52 1.966 -9.569 11.324 1.00 0.00 H new ATOM 0 HA LEU A 52 1.934 -9.163 14.213 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.011 -11.690 14.176 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.600 -10.965 13.431 1.00 0.00 H new ATOM 0 HG LEU A 52 2.703 -11.376 11.464 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.646 -13.838 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.396 -13.201 12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.729 -13.821 12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.884 -12.564 10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.106 -12.491 11.771 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.346 -10.991 10.928 1.00 0.00 H new ATOM 818 N LYS A 53 4.598 -10.054 12.528 1.00 0.00 N ATOM 819 CA LYS A 53 6.044 -10.223 12.617 1.00 0.00 C ATOM 820 C LYS A 53 6.740 -8.880 12.811 1.00 0.00 C ATOM 821 O LYS A 53 7.804 -8.804 13.427 1.00 0.00 O ATOM 822 CB LYS A 53 6.578 -10.910 11.358 1.00 0.00 C ATOM 823 CG LYS A 53 6.397 -10.089 10.092 1.00 0.00 C ATOM 824 CD LYS A 53 6.767 -10.887 8.853 1.00 0.00 C ATOM 825 CE LYS A 53 8.243 -11.254 8.845 1.00 0.00 C ATOM 826 NZ LYS A 53 8.574 -12.203 7.748 1.00 0.00 N ATOM 0 H LYS A 53 4.229 -10.069 11.577 1.00 0.00 H new ATOM 0 HA LYS A 53 6.257 -10.850 13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.638 -11.124 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.072 -11.868 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.361 -9.758 10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.015 -9.193 10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.165 -11.795 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.531 -10.306 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.841 -10.349 8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.511 -11.699 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.589 -12.428 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.023 -13.077 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.342 -11.769 6.832 1.00 0.00 H new ATOM 840 N GLY A 54 6.133 -7.822 12.284 1.00 0.00 N ATOM 841 CA GLY A 54 6.711 -6.497 12.412 1.00 0.00 C ATOM 842 C GLY A 54 6.256 -5.557 11.314 1.00 0.00 C ATOM 843 O GLY A 54 5.663 -5.987 10.324 1.00 0.00 O ATOM 0 H GLY A 54 5.252 -7.858 11.771 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.439 -6.078 13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.798 -6.575 12.392 1.00 0.00 H new ATOM 847 N ILE A 55 6.534 -4.268 11.487 1.00 0.00 N ATOM 848 CA ILE A 55 6.149 -3.264 10.504 1.00 0.00 C ATOM 849 C ILE A 55 7.049 -3.322 9.275 1.00 0.00 C ATOM 850 O ILE A 55 8.273 -3.384 9.392 1.00 0.00 O ATOM 851 CB ILE A 55 6.206 -1.843 11.100 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.492 -1.804 12.452 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.591 -0.839 10.137 1.00 0.00 C ATOM 854 CD1 ILE A 55 4.025 -2.168 12.372 1.00 0.00 C ATOM 0 H ILE A 55 7.025 -3.895 12.300 1.00 0.00 H new ATOM 0 HA ILE A 55 5.123 -3.488 10.211 1.00 0.00 H new ATOM 0 HB ILE A 55 7.250 -1.572 11.256 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.991 -2.489 13.137 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.587 -0.804 12.875 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.639 0.159 10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.142 -0.852 9.197 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.550 -1.104 9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.583 -2.119 13.367 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.512 -1.468 11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.922 -3.179 11.978 1.00 0.00 H new ATOM 866 N GLU A 56 6.435 -3.299 8.097 1.00 0.00 N ATOM 867 CA GLU A 56 7.181 -3.347 6.845 1.00 0.00 C ATOM 868 C GLU A 56 7.611 -1.947 6.419 1.00 0.00 C ATOM 869 O GLU A 56 8.780 -1.711 6.113 1.00 0.00 O ATOM 870 CB GLU A 56 6.332 -3.988 5.745 1.00 0.00 C ATOM 871 CG GLU A 56 6.098 -5.476 5.946 1.00 0.00 C ATOM 872 CD GLU A 56 7.391 -6.262 6.043 1.00 0.00 C ATOM 873 OE1 GLU A 56 7.898 -6.702 4.991 1.00 0.00 O ATOM 874 OE2 GLU A 56 7.896 -6.437 7.172 1.00 0.00 O ATOM 0 H GLU A 56 5.423 -3.247 7.983 1.00 0.00 H new ATOM 0 HA GLU A 56 8.074 -3.952 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.369 -3.480 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.821 -3.832 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.515 -5.629 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.504 -5.862 5.117 1.00 0.00 H new ATOM 881 N GLU A 57 6.658 -1.022 6.406 1.00 0.00 N ATOM 882 CA GLU A 57 6.934 0.359 6.022 1.00 0.00 C ATOM 883 C GLU A 57 7.421 0.439 4.580 1.00 0.00 C ATOM 884 O GLU A 57 8.619 0.339 4.312 1.00 0.00 O ATOM 885 CB GLU A 57 7.975 0.973 6.960 1.00 0.00 C ATOM 886 CG GLU A 57 7.874 2.485 7.075 1.00 0.00 C ATOM 887 CD GLU A 57 9.225 3.147 7.259 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.784 3.056 8.372 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.724 3.756 6.290 1.00 0.00 O ATOM 0 H GLU A 57 5.686 -1.203 6.657 1.00 0.00 H new ATOM 0 HA GLU A 57 6.005 0.923 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.863 0.533 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.972 0.710 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.398 2.883 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.231 2.739 7.918 1.00 0.00 H new ATOM 896 N TYR A 58 6.485 0.628 3.655 1.00 0.00 N ATOM 897 CA TYR A 58 6.820 0.730 2.240 1.00 0.00 C ATOM 898 C TYR A 58 6.946 2.191 1.821 1.00 0.00 C ATOM 899 O TYR A 58 6.774 3.098 2.636 1.00 0.00 O ATOM 900 CB TYR A 58 5.760 0.030 1.387 1.00 0.00 C ATOM 901 CG TYR A 58 5.455 -1.382 1.835 1.00 0.00 C ATOM 902 CD1 TYR A 58 4.676 -1.622 2.959 1.00 0.00 C ATOM 903 CD2 TYR A 58 5.947 -2.474 1.132 1.00 0.00 C ATOM 904 CE1 TYR A 58 4.395 -2.911 3.371 1.00 0.00 C ATOM 905 CE2 TYR A 58 5.671 -3.767 1.537 1.00 0.00 C ATOM 906 CZ TYR A 58 4.895 -3.979 2.657 1.00 0.00 C ATOM 907 OH TYR A 58 4.619 -5.265 3.064 1.00 0.00 O ATOM 0 H TYR A 58 5.490 0.713 3.860 1.00 0.00 H new ATOM 0 HA TYR A 58 7.780 0.238 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.841 0.616 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.097 0.008 0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.283 -0.787 3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.555 -2.311 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.787 -3.081 4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.061 -4.606 0.979 1.00 0.00 H new ATOM 0 HH TYR A 58 5.045 -5.900 2.452 1.00 0.00 H new ATOM 917 N THR A 59 7.248 2.415 0.548 1.00 0.00 N ATOM 918 CA THR A 59 7.398 3.768 0.025 1.00 0.00 C ATOM 919 C THR A 59 6.969 3.836 -1.437 1.00 0.00 C ATOM 920 O THR A 59 7.490 3.108 -2.281 1.00 0.00 O ATOM 921 CB THR A 59 8.851 4.232 0.166 1.00 0.00 C ATOM 922 OG1 THR A 59 9.216 4.323 1.532 1.00 0.00 O ATOM 923 CG2 THR A 59 9.119 5.581 -0.470 1.00 0.00 C ATOM 0 H THR A 59 7.394 1.678 -0.141 1.00 0.00 H new ATOM 0 HA THR A 59 6.754 4.430 0.604 1.00 0.00 H new ATOM 0 HB THR A 59 9.444 3.481 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.148 4.619 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.167 5.847 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.894 5.532 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.489 6.336 -0.001 1.00 0.00 H new ATOM 931 N ILE A 60 6.019 4.718 -1.730 1.00 0.00 N ATOM 932 CA ILE A 60 5.526 4.883 -3.089 1.00 0.00 C ATOM 933 C ILE A 60 6.527 5.653 -3.943 1.00 0.00 C ATOM 934 O ILE A 60 7.032 6.698 -3.534 1.00 0.00 O ATOM 935 CB ILE A 60 4.174 5.623 -3.116 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.203 4.995 -2.113 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.586 5.600 -4.520 1.00 0.00 C ATOM 938 CD1 ILE A 60 1.996 5.859 -1.820 1.00 0.00 C ATOM 0 H ILE A 60 5.576 5.329 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 60 5.390 3.882 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 60 4.339 6.662 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.866 4.033 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.733 4.797 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.631 6.126 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.273 6.090 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.432 4.567 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.351 5.352 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.323 6.812 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.443 6.036 -2.742 1.00 0.00 H new ATOM 950 N LEU A 61 6.813 5.127 -5.127 1.00 0.00 N ATOM 951 CA LEU A 61 7.756 5.765 -6.039 1.00 0.00 C ATOM 952 C LEU A 61 7.035 6.418 -7.217 1.00 0.00 C ATOM 953 O LEU A 61 7.645 7.151 -7.996 1.00 0.00 O ATOM 954 CB LEU A 61 8.769 4.740 -6.551 1.00 0.00 C ATOM 955 CG LEU A 61 9.639 4.094 -5.473 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.461 2.957 -6.060 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.544 5.132 -4.828 1.00 0.00 C ATOM 0 H LEU A 61 6.406 4.260 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 61 8.279 6.546 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.231 3.954 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.420 5.227 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 61 8.986 3.682 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.074 2.509 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.793 2.202 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.106 3.344 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.157 4.655 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.190 5.574 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.935 5.912 -4.371 1.00 0.00 H new ATOM 969 N GLN A 62 5.736 6.151 -7.346 1.00 0.00 N ATOM 970 CA GLN A 62 4.945 6.719 -8.434 1.00 0.00 C ATOM 971 C GLN A 62 3.486 6.280 -8.336 1.00 0.00 C ATOM 972 O GLN A 62 3.174 5.259 -7.721 1.00 0.00 O ATOM 973 CB GLN A 62 5.524 6.301 -9.787 1.00 0.00 C ATOM 974 CG GLN A 62 5.493 7.407 -10.829 1.00 0.00 C ATOM 975 CD GLN A 62 6.607 7.281 -11.849 1.00 0.00 C ATOM 976 OE1 GLN A 62 7.511 6.459 -11.698 1.00 0.00 O ATOM 977 NE2 GLN A 62 6.548 8.097 -12.894 1.00 0.00 N ATOM 0 H GLN A 62 5.212 5.547 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 62 4.986 7.805 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.554 5.974 -9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.966 5.443 -10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.532 7.390 -11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.570 8.373 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.780 8.763 -12.978 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.271 8.058 -13.613 1.00 0.00 H new ATOM 986 N ILE A 63 2.597 7.057 -8.946 1.00 0.00 N ATOM 987 CA ILE A 63 1.172 6.751 -8.932 1.00 0.00 C ATOM 988 C ILE A 63 0.616 6.666 -10.350 1.00 0.00 C ATOM 989 O ILE A 63 0.136 7.658 -10.897 1.00 0.00 O ATOM 990 CB ILE A 63 0.376 7.810 -8.146 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.071 8.127 -6.820 1.00 0.00 C ATOM 992 CG2 ILE A 63 -1.048 7.330 -7.904 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.136 6.949 -5.872 1.00 0.00 C ATOM 0 H ILE A 63 2.840 7.905 -9.457 1.00 0.00 H new ATOM 0 HA ILE A 63 1.061 5.785 -8.440 1.00 0.00 H new ATOM 0 HB ILE A 63 0.335 8.724 -8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.084 8.474 -7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.545 8.947 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.598 8.089 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.540 7.154 -8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.027 6.403 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.642 7.248 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.125 6.615 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.688 6.134 -6.341 1.00 0.00 H new ATOM 1005 N PRO A 64 0.673 5.474 -10.969 1.00 0.00 N ATOM 1006 CA PRO A 64 0.172 5.266 -12.331 1.00 0.00 C ATOM 1007 C PRO A 64 -1.352 5.325 -12.409 1.00 0.00 C ATOM 1008 O PRO A 64 -1.924 5.370 -13.498 1.00 0.00 O ATOM 1009 CB PRO A 64 0.673 3.865 -12.684 1.00 0.00 C ATOM 1010 CG PRO A 64 0.817 3.175 -11.372 1.00 0.00 C ATOM 1011 CD PRO A 64 1.230 4.236 -10.389 1.00 0.00 C ATOM 0 HA PRO A 64 0.519 6.042 -13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.032 3.343 -13.331 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.623 3.906 -13.216 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.121 2.708 -11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.564 2.383 -11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.828 4.041 -9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.314 4.291 -10.289 1.00 0.00 H new ATOM 1019 N ALA A 65 -2.005 5.324 -11.250 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.460 5.376 -11.194 1.00 0.00 C ATOM 1021 C ALA A 65 -4.079 4.175 -11.900 1.00 0.00 C ATOM 1022 O ALA A 65 -4.878 4.327 -12.825 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.965 6.674 -11.811 1.00 0.00 C ATOM 0 H ALA A 65 -1.549 5.288 -10.339 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.761 5.343 -10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.054 6.700 -11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.557 7.522 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.646 6.730 -12.852 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.703 2.979 -11.459 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.221 1.749 -12.051 1.00 0.00 C ATOM 1031 C LEU A 66 -5.030 0.952 -11.034 1.00 0.00 C ATOM 1032 O LEU A 66 -5.064 1.290 -9.851 1.00 0.00 O ATOM 1033 CB LEU A 66 -3.071 0.892 -12.588 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.913 1.675 -13.211 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -0.753 0.746 -13.532 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.376 2.406 -14.463 1.00 0.00 C ATOM 0 H LEU A 66 -3.043 2.834 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.878 2.023 -12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.680 0.284 -11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.469 0.205 -13.336 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.570 2.415 -12.489 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.061 1.320 -13.974 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.405 0.269 -12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.083 -0.018 -14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.540 2.957 -14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.746 1.683 -15.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.174 3.101 -14.204 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.678 -0.109 -11.504 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.486 -0.958 -10.635 1.00 0.00 C ATOM 1050 C LYS A 67 -5.765 -2.264 -10.306 1.00 0.00 C ATOM 1051 O LYS A 67 -6.339 -3.157 -9.681 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.833 -1.262 -11.297 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.895 -0.210 -11.026 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.867 -0.088 -12.188 1.00 0.00 C ATOM 1055 CE LYS A 67 -9.493 1.063 -13.108 1.00 0.00 C ATOM 1056 NZ LYS A 67 -9.662 2.384 -12.441 1.00 0.00 N ATOM 0 H LYS A 67 -5.660 -0.401 -12.481 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.654 -0.417 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.688 -1.350 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.192 -2.228 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.441 -0.468 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.417 0.753 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.878 -1.019 -12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.876 0.064 -11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.458 0.949 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.112 1.027 -14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.800 3.121 -13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.491 2.353 -11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.813 2.601 -11.881 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.507 -2.375 -10.730 1.00 0.00 N ATOM 1071 CA ASN A 68 -3.716 -3.574 -10.478 1.00 0.00 C ATOM 1072 C ASN A 68 -2.333 -3.452 -11.109 1.00 0.00 C ATOM 1073 O ASN A 68 -2.173 -2.835 -12.162 1.00 0.00 O ATOM 1074 CB ASN A 68 -4.431 -4.808 -11.031 1.00 0.00 C ATOM 1075 CG ASN A 68 -4.955 -4.593 -12.437 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -6.222 -4.211 -12.543 1.00 0.00 O flip ATOM 1077 ND2 ASN A 68 -4.230 -4.765 -13.416 1.00 0.00 N flip ATOM 0 H ASN A 68 -4.015 -1.648 -11.250 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.599 -3.683 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.744 -5.654 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.260 -5.069 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.262 -5.059 -13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.597 -4.614 -14.355 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.334 -4.044 -10.459 1.00 0.00 N ATOM 1085 CA VAL A 69 0.035 -4.001 -10.961 1.00 0.00 C ATOM 1086 C VAL A 69 0.612 -5.410 -11.096 1.00 0.00 C ATOM 1087 O VAL A 69 0.508 -6.219 -10.174 1.00 0.00 O ATOM 1088 CB VAL A 69 0.953 -3.174 -10.040 1.00 0.00 C ATOM 1089 CG1 VAL A 69 2.250 -2.827 -10.755 1.00 0.00 C ATOM 1090 CG2 VAL A 69 0.245 -1.914 -9.563 1.00 0.00 C ATOM 0 H VAL A 69 -1.447 -4.558 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.005 -3.525 -11.941 1.00 0.00 H new ATOM 0 HB VAL A 69 1.195 -3.777 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.887 -2.243 -10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.766 -3.744 -11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.028 -2.245 -11.649 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.911 -1.346 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.031 -1.304 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.653 -2.189 -9.009 1.00 0.00 H new ATOM 1100 N PRO A 70 1.231 -5.726 -12.248 1.00 0.00 N ATOM 1101 CA PRO A 70 1.823 -7.045 -12.486 1.00 0.00 C ATOM 1102 C PRO A 70 3.101 -7.256 -11.681 1.00 0.00 C ATOM 1103 O PRO A 70 3.542 -6.367 -10.953 1.00 0.00 O ATOM 1104 CB PRO A 70 2.130 -7.031 -13.983 1.00 0.00 C ATOM 1105 CG PRO A 70 2.330 -5.593 -14.312 1.00 0.00 C ATOM 1106 CD PRO A 70 1.407 -4.826 -13.405 1.00 0.00 C ATOM 0 HA PRO A 70 1.158 -7.853 -12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.020 -7.617 -14.211 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.310 -7.459 -14.560 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.367 -5.297 -14.153 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.099 -5.397 -15.359 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.839 -3.871 -13.108 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.456 -4.608 -13.892 1.00 0.00 H new ATOM 1114 N ARG A 71 3.693 -8.438 -11.817 1.00 0.00 N ATOM 1115 CA ARG A 71 4.923 -8.763 -11.102 1.00 0.00 C ATOM 1116 C ARG A 71 6.145 -8.488 -11.973 1.00 0.00 C ATOM 1117 O ARG A 71 7.074 -9.294 -12.029 1.00 0.00 O ATOM 1118 CB ARG A 71 4.910 -10.229 -10.663 1.00 0.00 C ATOM 1119 CG ARG A 71 5.601 -10.471 -9.331 1.00 0.00 C ATOM 1120 CD ARG A 71 6.199 -11.867 -9.259 1.00 0.00 C ATOM 1121 NE ARG A 71 5.255 -12.840 -8.716 1.00 0.00 N ATOM 1122 CZ ARG A 71 5.613 -14.024 -8.222 1.00 0.00 C ATOM 1123 NH1 ARG A 71 6.891 -14.385 -8.203 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.691 -14.850 -7.747 1.00 0.00 N ATOM 0 H ARG A 71 3.342 -9.186 -12.415 1.00 0.00 H new ATOM 0 HA ARG A 71 4.981 -8.129 -10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.877 -10.570 -10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.395 -10.834 -11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.387 -9.730 -9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.886 -10.338 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.509 -12.180 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.095 -11.846 -8.638 1.00 0.00 H new ATOM 0 HE ARG A 71 4.264 -12.599 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.605 -13.754 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.159 -15.293 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.708 -14.579 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.965 -15.757 -7.369 1.00 0.00 H new ATOM 1138 N LYS A 72 6.135 -7.346 -12.653 1.00 0.00 N ATOM 1139 CA LYS A 72 7.242 -6.965 -13.522 1.00 0.00 C ATOM 1140 C LYS A 72 7.660 -5.518 -13.274 1.00 0.00 C ATOM 1141 O LYS A 72 8.849 -5.215 -13.171 1.00 0.00 O ATOM 1142 CB LYS A 72 6.853 -7.151 -14.989 1.00 0.00 C ATOM 1143 CG LYS A 72 8.019 -7.528 -15.886 1.00 0.00 C ATOM 1144 CD LYS A 72 7.899 -6.886 -17.258 1.00 0.00 C ATOM 1145 CE LYS A 72 8.425 -7.802 -18.351 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.626 -7.692 -19.602 1.00 0.00 N ATOM 0 H LYS A 72 5.373 -6.669 -12.619 1.00 0.00 H new ATOM 0 HA LYS A 72 8.089 -7.612 -13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.088 -7.925 -15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.406 -6.227 -15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.954 -7.218 -15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.061 -8.612 -15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.855 -6.643 -17.457 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.453 -5.947 -17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.465 -7.554 -18.562 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.408 -8.834 -17.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.018 -8.333 -20.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.638 -7.953 -19.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.663 -6.714 -19.953 1.00 0.00 H new ATOM 1160 N ASP A 73 6.676 -4.628 -13.184 1.00 0.00 N ATOM 1161 CA ASP A 73 6.947 -3.214 -12.952 1.00 0.00 C ATOM 1162 C ASP A 73 6.365 -2.751 -11.618 1.00 0.00 C ATOM 1163 O ASP A 73 6.128 -1.560 -11.416 1.00 0.00 O ATOM 1164 CB ASP A 73 6.369 -2.371 -14.090 1.00 0.00 C ATOM 1165 CG ASP A 73 7.294 -2.310 -15.291 1.00 0.00 C ATOM 1166 OD1 ASP A 73 8.106 -3.243 -15.463 1.00 0.00 O ATOM 1167 OD2 ASP A 73 7.205 -1.329 -16.059 1.00 0.00 O ATOM 0 H ASP A 73 5.686 -4.861 -13.268 1.00 0.00 H new ATOM 0 HA ASP A 73 8.028 -3.082 -12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.409 -2.787 -14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.179 -1.360 -13.729 1.00 0.00 H new ATOM 1172 N THR A 74 6.138 -3.695 -10.709 1.00 0.00 N ATOM 1173 CA THR A 74 5.588 -3.373 -9.396 1.00 0.00 C ATOM 1174 C THR A 74 6.694 -3.025 -8.400 1.00 0.00 C ATOM 1175 O THR A 74 6.433 -2.845 -7.211 1.00 0.00 O ATOM 1176 CB THR A 74 4.761 -4.545 -8.865 1.00 0.00 C ATOM 1177 OG1 THR A 74 4.284 -4.270 -7.561 1.00 0.00 O ATOM 1178 CG2 THR A 74 5.533 -5.845 -8.808 1.00 0.00 C ATOM 0 H THR A 74 6.326 -4.687 -10.857 1.00 0.00 H new ATOM 0 HA THR A 74 4.945 -2.500 -9.510 1.00 0.00 H new ATOM 0 HB THR A 74 3.938 -4.662 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.783 -3.517 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.888 -6.635 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.873 -6.110 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.395 -5.728 -8.151 1.00 0.00 H new ATOM 1186 N HIS A 75 7.929 -2.931 -8.888 1.00 0.00 N ATOM 1187 CA HIS A 75 9.064 -2.603 -8.034 1.00 0.00 C ATOM 1188 C HIS A 75 9.427 -1.123 -8.138 1.00 0.00 C ATOM 1189 O HIS A 75 10.184 -0.603 -7.320 1.00 0.00 O ATOM 1190 CB HIS A 75 10.273 -3.467 -8.402 1.00 0.00 C ATOM 1191 CG HIS A 75 10.885 -4.170 -7.230 1.00 0.00 C ATOM 1192 ND1 HIS A 75 11.470 -3.502 -6.173 1.00 0.00 N ATOM 1193 CD2 HIS A 75 11.002 -5.489 -6.949 1.00 0.00 C ATOM 1194 CE1 HIS A 75 11.920 -4.382 -5.295 1.00 0.00 C ATOM 1195 NE2 HIS A 75 11.648 -5.593 -5.742 1.00 0.00 N ATOM 0 H HIS A 75 8.167 -3.077 -9.869 1.00 0.00 H new ATOM 0 HA HIS A 75 8.777 -2.810 -7.003 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.968 -4.208 -9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.029 -2.838 -8.873 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.652 -6.307 -7.561 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.425 -4.149 -4.369 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.880 -6.466 -5.268 1.00 0.00 H new ATOM 1204 N LEU A 76 8.883 -0.450 -9.147 1.00 0.00 N ATOM 1205 CA LEU A 76 9.153 0.967 -9.352 1.00 0.00 C ATOM 1206 C LEU A 76 7.992 1.832 -8.857 1.00 0.00 C ATOM 1207 O LEU A 76 7.967 3.040 -9.090 1.00 0.00 O ATOM 1208 CB LEU A 76 9.413 1.239 -10.832 1.00 0.00 C ATOM 1209 CG LEU A 76 10.875 1.118 -11.264 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.988 1.133 -12.780 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.704 2.241 -10.656 1.00 0.00 C ATOM 0 H LEU A 76 8.253 -0.864 -9.834 1.00 0.00 H new ATOM 0 HA LEU A 76 10.039 1.229 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.816 0.545 -11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.062 2.243 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 76 11.263 0.166 -10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.036 1.046 -13.068 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.427 0.296 -13.195 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.582 2.068 -13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.742 2.140 -10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.314 3.203 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.650 2.185 -9.569 1.00 0.00 H new ATOM 1223 N TYR A 77 7.036 1.208 -8.172 1.00 0.00 N ATOM 1224 CA TYR A 77 5.880 1.926 -7.645 1.00 0.00 C ATOM 1225 C TYR A 77 5.883 1.914 -6.120 1.00 0.00 C ATOM 1226 O TYR A 77 5.478 2.885 -5.481 1.00 0.00 O ATOM 1227 CB TYR A 77 4.585 1.305 -8.171 1.00 0.00 C ATOM 1228 CG TYR A 77 4.399 1.462 -9.663 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.241 2.718 -10.235 1.00 0.00 C ATOM 1230 CD2 TYR A 77 4.385 0.354 -10.501 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.071 2.866 -11.599 1.00 0.00 C ATOM 1232 CE2 TYR A 77 4.217 0.492 -11.866 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.060 1.750 -12.409 1.00 0.00 C ATOM 1234 OH TYR A 77 3.893 1.892 -13.767 1.00 0.00 O ATOM 0 H TYR A 77 7.040 0.208 -7.970 1.00 0.00 H new ATOM 0 HA TYR A 77 5.940 2.961 -7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.574 0.244 -7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.739 1.762 -7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.251 3.594 -9.603 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.508 -0.632 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.948 3.850 -12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.209 -0.380 -12.503 1.00 0.00 H new ATOM 0 HH TYR A 77 3.910 1.009 -14.193 1.00 0.00 H new ATOM 1244 N ILE A 78 6.346 0.810 -5.543 1.00 0.00 N ATOM 1245 CA ILE A 78 6.406 0.669 -4.093 1.00 0.00 C ATOM 1246 C ILE A 78 7.499 -0.315 -3.687 1.00 0.00 C ATOM 1247 O ILE A 78 7.643 -1.380 -4.286 1.00 0.00 O ATOM 1248 CB ILE A 78 5.056 0.197 -3.516 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.126 0.110 -1.989 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.663 -1.145 -4.113 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.777 -0.098 -1.334 1.00 0.00 C ATOM 0 H ILE A 78 6.686 -0.002 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 78 6.637 1.653 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 78 4.292 0.927 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.787 -0.710 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.572 1.026 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.708 -1.464 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.572 -1.049 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.427 -1.886 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.902 -0.150 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.119 0.735 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.337 -1.028 -1.694 1.00 0.00 H new ATOM 1263 N ALA A 79 8.268 0.051 -2.667 1.00 0.00 N ATOM 1264 CA ALA A 79 9.348 -0.799 -2.183 1.00 0.00 C ATOM 1265 C ALA A 79 9.435 -0.765 -0.657 1.00 0.00 C ATOM 1266 O ALA A 79 9.486 0.308 -0.058 1.00 0.00 O ATOM 1267 CB ALA A 79 10.671 -0.367 -2.797 1.00 0.00 C ATOM 0 H ALA A 79 8.163 0.930 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 79 9.134 -1.824 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.470 -1.009 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.612 -0.448 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.880 0.667 -2.521 1.00 0.00 H new ATOM 1273 N PRO A 80 9.454 -1.942 -0.004 1.00 0.00 N ATOM 1274 CA PRO A 80 9.538 -2.029 1.459 1.00 0.00 C ATOM 1275 C PRO A 80 10.762 -1.307 2.011 1.00 0.00 C ATOM 1276 O PRO A 80 11.889 -1.786 1.881 1.00 0.00 O ATOM 1277 CB PRO A 80 9.641 -3.533 1.730 1.00 0.00 C ATOM 1278 CG PRO A 80 9.068 -4.183 0.519 1.00 0.00 C ATOM 1279 CD PRO A 80 9.398 -3.275 -0.632 1.00 0.00 C ATOM 0 HA PRO A 80 8.682 -1.556 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.676 -3.836 1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.087 -3.811 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.495 -5.175 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.990 -4.312 0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.348 -3.542 -1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.638 -3.321 -1.412 1.00 0.00 H new ATOM 1287 N LYS A 81 10.534 -0.153 2.629 1.00 0.00 N ATOM 1288 CA LYS A 81 11.619 0.634 3.203 1.00 0.00 C ATOM 1289 C LYS A 81 11.892 0.209 4.643 1.00 0.00 C ATOM 1290 O LYS A 81 11.441 0.856 5.589 1.00 0.00 O ATOM 1291 CB LYS A 81 11.279 2.126 3.145 1.00 0.00 C ATOM 1292 CG LYS A 81 12.284 2.946 2.352 1.00 0.00 C ATOM 1293 CD LYS A 81 12.178 2.666 0.861 1.00 0.00 C ATOM 1294 CE LYS A 81 13.268 1.715 0.392 1.00 0.00 C ATOM 1295 NZ LYS A 81 14.314 2.416 -0.402 1.00 0.00 N ATOM 0 H LYS A 81 9.608 0.258 2.745 1.00 0.00 H new ATOM 0 HA LYS A 81 12.520 0.455 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.291 2.249 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.223 2.518 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.116 4.007 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.293 2.718 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.200 2.238 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.249 3.603 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.728 1.236 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.824 0.923 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.038 1.733 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.880 2.851 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.756 3.155 0.182 1.00 0.00 H new