USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 171:sc= 0.161 USER MOD Set 1.2: A 40 HIS : no HD1:sc= 0.2 K(o=1.7,f=-9.4!) USER MOD Set 1.3: A 46 SER OG : rot -97:sc= 1.3 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN :FLIP amide:sc=-0.00211 F(o=-0.95,f=-0.0021) USER MOD Single : A 10 TYR OH : rot 170:sc= 0.367 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -7.87! C(o=-7.9!,f=-9.3!) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 26 GLN :FLIP amide:sc= -5.36! C(o=-8.2!,f=-5.4!) USER MOD Single : A 29 ASN : amide:sc= -0.425 K(o=-0.42,f=-0.96) USER MOD Single : A 35 ASN : amide:sc= -0.0956 X(o=-0.096,f=-0.012) USER MOD Single : A 41 THR OG1 : rot -71:sc= 1.03 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0369) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc=-0.00141 (180deg=-0.134) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 0.406 (180deg=0.195) USER MOD Single : A 50 ASN :FLIP amide:sc= -4.18! C(o=-11!,f=-4.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -4.66! C(o=-9.1!,f=-4.7!) USER MOD Single : A 54 THR OG1 : rot -91:sc= 0.061 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 82:sc= 0.232 USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 0.399 (180deg=-2.35!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0363 F(o=-0.65,f=-0.036) USER MOD Single : A 70 MET CE :methyl -157:sc= -0.198 (180deg=-0.874) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.374 7.370 6.903 1.00 0.00 N ATOM 2 CA ALA A 1 17.720 6.044 6.351 1.00 0.00 C ATOM 3 C ALA A 1 16.532 5.448 5.604 1.00 0.00 C ATOM 4 O ALA A 1 16.392 5.630 4.394 1.00 0.00 O ATOM 5 CB ALA A 1 18.194 5.112 7.455 1.00 0.00 C ATOM 0 H1 ALA A 1 18.195 7.761 7.408 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.108 8.010 6.128 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.575 7.274 7.562 1.00 0.00 H new ATOM 0 HA ALA A 1 18.537 6.168 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.444 4.141 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.076 5.536 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.402 4.991 8.194 1.00 0.00 H new ATOM 13 N SER A 2 15.666 4.760 6.335 1.00 0.00 N ATOM 14 CA SER A 2 14.489 4.140 5.755 1.00 0.00 C ATOM 15 C SER A 2 13.253 4.604 6.502 1.00 0.00 C ATOM 16 O SER A 2 13.262 4.667 7.731 1.00 0.00 O ATOM 17 CB SER A 2 14.590 2.615 5.856 1.00 0.00 C ATOM 18 OG SER A 2 15.874 2.157 5.468 1.00 0.00 O ATOM 0 H SER A 2 15.761 4.618 7.341 1.00 0.00 H new ATOM 0 HA SER A 2 14.421 4.428 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.384 2.302 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.831 2.155 5.223 1.00 0.00 H new ATOM 0 HG SER A 2 15.910 1.181 5.544 1.00 0.00 H new ATOM 24 N ASN A 3 12.204 4.946 5.771 1.00 0.00 N ATOM 25 CA ASN A 3 10.925 5.240 6.395 1.00 0.00 C ATOM 26 C ASN A 3 10.408 3.966 7.034 1.00 0.00 C ATOM 27 O ASN A 3 10.143 3.908 8.235 1.00 0.00 O ATOM 28 CB ASN A 3 9.923 5.767 5.358 1.00 0.00 C ATOM 29 CG ASN A 3 8.572 6.123 5.957 1.00 0.00 C ATOM 30 OD1 ASN A 3 8.569 6.571 7.205 1.00 0.00 O flip ATOM 31 ND2 ASN A 3 7.540 6.013 5.293 1.00 0.00 N flip ATOM 0 H ASN A 3 12.212 5.026 4.754 1.00 0.00 H new ATOM 0 HA ASN A 3 11.051 6.014 7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.342 6.649 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.782 5.014 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.584 5.664 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.641 6.271 5.701 1.00 0.00 H new ATOM 38 N PHE A 4 10.276 2.944 6.210 1.00 0.00 N ATOM 39 CA PHE A 4 9.918 1.620 6.674 1.00 0.00 C ATOM 40 C PHE A 4 10.818 0.572 6.037 1.00 0.00 C ATOM 41 O PHE A 4 11.530 0.855 5.068 1.00 0.00 O ATOM 42 CB PHE A 4 8.448 1.318 6.354 1.00 0.00 C ATOM 43 CG PHE A 4 8.046 1.622 4.932 1.00 0.00 C ATOM 44 CD1 PHE A 4 8.700 1.028 3.862 1.00 0.00 C ATOM 45 CD2 PHE A 4 7.013 2.507 4.669 1.00 0.00 C ATOM 46 CE1 PHE A 4 8.331 1.310 2.564 1.00 0.00 C ATOM 47 CE2 PHE A 4 6.640 2.790 3.370 1.00 0.00 C ATOM 48 CZ PHE A 4 7.303 2.192 2.319 1.00 0.00 C ATOM 0 H PHE A 4 10.414 3.009 5.202 1.00 0.00 H new ATOM 0 HA PHE A 4 10.054 1.587 7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.253 0.265 6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.816 1.895 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.508 0.336 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.494 2.981 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.848 0.840 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.830 3.478 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.015 2.416 1.302 1.00 0.00 H new ATOM 58 N ASP A 5 10.790 -0.624 6.585 1.00 0.00 N ATOM 59 CA ASP A 5 11.283 -1.786 5.875 1.00 0.00 C ATOM 60 C ASP A 5 10.103 -2.696 5.574 1.00 0.00 C ATOM 61 O ASP A 5 9.440 -3.206 6.480 1.00 0.00 O ATOM 62 CB ASP A 5 12.403 -2.520 6.634 1.00 0.00 C ATOM 63 CG ASP A 5 12.033 -2.939 8.042 1.00 0.00 C ATOM 64 OD1 ASP A 5 12.122 -2.097 8.956 1.00 0.00 O ATOM 65 OD2 ASP A 5 11.696 -4.126 8.252 1.00 0.00 O ATOM 0 H ASP A 5 10.431 -0.818 7.520 1.00 0.00 H new ATOM 0 HA ASP A 5 11.745 -1.462 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.689 -3.406 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.279 -1.873 6.679 1.00 0.00 H new ATOM 70 N CYS A 6 9.822 -2.834 4.287 1.00 0.00 N ATOM 71 CA CYS A 6 8.653 -3.515 3.787 1.00 0.00 C ATOM 72 C CYS A 6 8.549 -4.957 4.301 1.00 0.00 C ATOM 73 O CYS A 6 9.517 -5.519 4.814 1.00 0.00 O ATOM 74 CB CYS A 6 8.698 -3.477 2.258 1.00 0.00 C ATOM 75 SG CYS A 6 10.087 -4.378 1.516 1.00 0.00 S ATOM 0 H CYS A 6 10.420 -2.464 3.549 1.00 0.00 H new ATOM 0 HA CYS A 6 7.762 -3.004 4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.767 -3.890 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.744 -2.437 1.935 1.00 0.00 H new ATOM 80 N CYS A 7 7.356 -5.539 4.154 1.00 0.00 N ATOM 81 CA CYS A 7 7.062 -6.881 4.656 1.00 0.00 C ATOM 82 C CYS A 7 8.048 -7.913 4.130 1.00 0.00 C ATOM 83 O CYS A 7 8.280 -8.007 2.927 1.00 0.00 O ATOM 84 CB CYS A 7 5.650 -7.299 4.245 1.00 0.00 C ATOM 85 SG CYS A 7 4.339 -6.152 4.773 1.00 0.00 S ATOM 0 H CYS A 7 6.568 -5.093 3.684 1.00 0.00 H new ATOM 0 HA CYS A 7 7.146 -6.842 5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.615 -7.396 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.441 -8.285 4.660 1.00 0.00 H new ATOM 90 N LEU A 8 8.617 -8.687 5.038 1.00 0.00 N ATOM 91 CA LEU A 8 9.490 -9.785 4.658 1.00 0.00 C ATOM 92 C LEU A 8 8.660 -11.007 4.274 1.00 0.00 C ATOM 93 O LEU A 8 9.161 -11.956 3.668 1.00 0.00 O ATOM 94 CB LEU A 8 10.477 -10.101 5.792 1.00 0.00 C ATOM 95 CG LEU A 8 9.889 -10.137 7.211 1.00 0.00 C ATOM 96 CD1 LEU A 8 9.115 -11.422 7.461 1.00 0.00 C ATOM 97 CD2 LEU A 8 10.989 -9.974 8.245 1.00 0.00 C ATOM 0 H LEU A 8 8.490 -8.576 6.044 1.00 0.00 H new ATOM 0 HA LEU A 8 10.075 -9.493 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.937 -11.068 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.274 -9.358 5.770 1.00 0.00 H new ATOM 0 HG LEU A 8 9.192 -9.304 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.713 -11.413 8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.296 -11.498 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.781 -12.277 7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.556 -10.002 9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.710 -10.784 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.492 -9.019 8.094 1.00 0.00 H new ATOM 109 N GLY A 9 7.382 -10.965 4.632 1.00 0.00 N ATOM 110 CA GLY A 9 6.463 -12.015 4.263 1.00 0.00 C ATOM 111 C GLY A 9 5.167 -11.457 3.719 1.00 0.00 C ATOM 112 O GLY A 9 4.662 -10.446 4.214 1.00 0.00 O ATOM 0 H GLY A 9 6.966 -10.211 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.926 -12.657 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.254 -12.639 5.132 1.00 0.00 H new ATOM 116 N TYR A 10 4.636 -12.101 2.692 1.00 0.00 N ATOM 117 CA TYR A 10 3.395 -11.667 2.060 1.00 0.00 C ATOM 118 C TYR A 10 2.250 -12.618 2.422 1.00 0.00 C ATOM 119 O TYR A 10 2.349 -13.381 3.385 1.00 0.00 O ATOM 120 CB TYR A 10 3.560 -11.621 0.537 1.00 0.00 C ATOM 121 CG TYR A 10 4.536 -10.587 0.012 1.00 0.00 C ATOM 122 CD1 TYR A 10 5.883 -10.652 0.341 1.00 0.00 C ATOM 123 CD2 TYR A 10 4.118 -9.564 -0.844 1.00 0.00 C ATOM 124 CE1 TYR A 10 6.784 -9.738 -0.159 1.00 0.00 C ATOM 125 CE2 TYR A 10 5.019 -8.646 -1.339 1.00 0.00 C ATOM 126 CZ TYR A 10 6.347 -8.737 -0.994 1.00 0.00 C ATOM 127 OH TYR A 10 7.246 -7.831 -1.499 1.00 0.00 O ATOM 0 H TYR A 10 5.048 -12.935 2.273 1.00 0.00 H new ATOM 0 HA TYR A 10 3.158 -10.668 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.882 -12.604 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.584 -11.432 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.231 -11.433 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.077 -9.492 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.829 -9.807 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.683 -7.857 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 10 6.812 -7.291 -2.192 1.00 0.00 H new ATOM 137 N THR A 11 1.159 -12.561 1.663 1.00 0.00 N ATOM 138 CA THR A 11 0.028 -13.453 1.889 1.00 0.00 C ATOM 139 C THR A 11 -0.530 -13.993 0.567 1.00 0.00 C ATOM 140 O THR A 11 -0.474 -13.325 -0.463 1.00 0.00 O ATOM 141 CB THR A 11 -1.098 -12.726 2.658 1.00 0.00 C ATOM 142 OG1 THR A 11 -1.994 -13.680 3.242 1.00 0.00 O ATOM 143 CG2 THR A 11 -1.885 -11.804 1.740 1.00 0.00 C ATOM 0 H THR A 11 1.035 -11.908 0.889 1.00 0.00 H new ATOM 0 HA THR A 11 0.391 -14.290 2.485 1.00 0.00 H new ATOM 0 HB THR A 11 -0.631 -12.128 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.702 -13.209 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.670 -11.307 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.216 -11.056 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.334 -12.388 0.936 1.00 0.00 H new ATOM 151 N ASP A 12 -1.084 -15.195 0.602 1.00 0.00 N ATOM 152 CA ASP A 12 -1.691 -15.791 -0.581 1.00 0.00 C ATOM 153 C ASP A 12 -3.178 -15.996 -0.348 1.00 0.00 C ATOM 154 O ASP A 12 -3.639 -17.113 -0.110 1.00 0.00 O ATOM 155 CB ASP A 12 -1.042 -17.132 -0.947 1.00 0.00 C ATOM 156 CG ASP A 12 0.333 -17.001 -1.578 1.00 0.00 C ATOM 157 OD1 ASP A 12 0.415 -16.696 -2.786 1.00 0.00 O ATOM 158 OD2 ASP A 12 1.338 -17.249 -0.878 1.00 0.00 O ATOM 0 H ASP A 12 -1.126 -15.779 1.437 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.532 -15.104 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.961 -17.742 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.697 -17.665 -1.636 1.00 0.00 H new ATOM 163 N ARG A 13 -3.917 -14.906 -0.367 1.00 0.00 N ATOM 164 CA ARG A 13 -5.359 -14.957 -0.176 1.00 0.00 C ATOM 165 C ARG A 13 -6.082 -14.206 -1.264 1.00 0.00 C ATOM 166 O ARG A 13 -5.486 -13.795 -2.250 1.00 0.00 O ATOM 167 CB ARG A 13 -5.754 -14.340 1.158 1.00 0.00 C ATOM 168 CG ARG A 13 -5.322 -15.155 2.366 1.00 0.00 C ATOM 169 CD ARG A 13 -5.888 -14.575 3.649 1.00 0.00 C ATOM 170 NE ARG A 13 -5.644 -15.433 4.810 1.00 0.00 N ATOM 171 CZ ARG A 13 -4.988 -15.043 5.907 1.00 0.00 C ATOM 172 NH1 ARG A 13 -4.466 -13.821 5.979 1.00 0.00 N ATOM 173 NH2 ARG A 13 -4.858 -15.880 6.929 1.00 0.00 N ATOM 0 H ARG A 13 -3.544 -13.968 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.641 -16.010 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.318 -13.344 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.837 -14.217 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.657 -16.186 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.234 -15.177 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.445 -13.595 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.961 -14.424 3.533 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.997 -16.389 4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.566 -13.177 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.966 -13.529 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.258 -16.817 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.358 -15.586 7.768 1.00 0.00 H new ATOM 187 N ILE A 14 -7.378 -14.054 -1.067 1.00 0.00 N ATOM 188 CA ILE A 14 -8.184 -13.160 -1.865 1.00 0.00 C ATOM 189 C ILE A 14 -8.919 -12.202 -0.922 1.00 0.00 C ATOM 190 O ILE A 14 -10.085 -12.414 -0.581 1.00 0.00 O ATOM 191 CB ILE A 14 -9.202 -13.931 -2.745 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.487 -14.890 -3.703 1.00 0.00 C ATOM 193 CG2 ILE A 14 -10.075 -12.964 -3.531 1.00 0.00 C ATOM 194 CD1 ILE A 14 -7.852 -14.203 -4.891 1.00 0.00 C ATOM 0 H ILE A 14 -7.900 -14.551 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.533 -12.607 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.837 -14.517 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.717 -15.431 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.202 -15.630 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.782 -13.526 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.622 -12.323 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.447 -12.349 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.365 -14.946 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.620 -13.685 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.112 -13.483 -4.542 1.00 0.00 H new ATOM 206 N LEU A 15 -8.210 -11.190 -0.437 1.00 0.00 N ATOM 207 CA LEU A 15 -8.813 -10.195 0.443 1.00 0.00 C ATOM 208 C LEU A 15 -9.548 -9.171 -0.393 1.00 0.00 C ATOM 209 O LEU A 15 -9.340 -9.085 -1.592 1.00 0.00 O ATOM 210 CB LEU A 15 -7.764 -9.496 1.325 1.00 0.00 C ATOM 211 CG LEU A 15 -7.081 -10.357 2.392 1.00 0.00 C ATOM 212 CD1 LEU A 15 -8.083 -11.263 3.098 1.00 0.00 C ATOM 213 CD2 LEU A 15 -5.943 -11.158 1.782 1.00 0.00 C ATOM 0 H LEU A 15 -7.222 -11.036 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.508 -10.708 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.992 -9.084 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.244 -8.654 1.823 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.660 -9.692 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.567 -11.861 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.847 -10.654 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.553 -11.923 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.469 -11.764 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.334 -11.809 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.208 -10.477 1.353 1.00 0.00 H new ATOM 225 N HIS A 16 -10.439 -8.425 0.212 1.00 0.00 N ATOM 226 CA HIS A 16 -11.269 -7.523 -0.561 1.00 0.00 C ATOM 227 C HIS A 16 -11.361 -6.140 0.046 1.00 0.00 C ATOM 228 O HIS A 16 -11.112 -5.961 1.233 1.00 0.00 O ATOM 229 CB HIS A 16 -12.667 -8.099 -0.682 1.00 0.00 C ATOM 230 CG HIS A 16 -12.748 -9.322 -1.522 1.00 0.00 C ATOM 231 ND1 HIS A 16 -13.808 -10.175 -1.470 1.00 0.00 N ATOM 232 CD2 HIS A 16 -11.921 -9.804 -2.473 1.00 0.00 C ATOM 233 CE1 HIS A 16 -13.653 -11.116 -2.353 1.00 0.00 C ATOM 234 NE2 HIS A 16 -12.512 -10.925 -2.988 1.00 0.00 N ATOM 0 H HIS A 16 -10.610 -8.420 1.218 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.800 -7.422 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.041 -8.331 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.327 -7.339 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.972 -9.384 -2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.346 -11.924 -2.537 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.136 -11.511 -3.733 1.00 0.00 H new ATOM 243 N PRO A 17 -11.787 -5.148 -0.766 1.00 0.00 N ATOM 244 CA PRO A 17 -12.189 -3.835 -0.255 1.00 0.00 C ATOM 245 C PRO A 17 -13.424 -4.007 0.618 1.00 0.00 C ATOM 246 O PRO A 17 -13.780 -3.152 1.425 1.00 0.00 O ATOM 247 CB PRO A 17 -12.504 -3.023 -1.518 1.00 0.00 C ATOM 248 CG PRO A 17 -12.754 -4.036 -2.584 1.00 0.00 C ATOM 249 CD PRO A 17 -11.919 -5.237 -2.232 1.00 0.00 C ATOM 0 HA PRO A 17 -11.431 -3.345 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.375 -2.386 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.673 -2.370 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.811 -4.298 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.479 -3.645 -3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.403 -6.165 -2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.947 -5.208 -2.725 1.00 0.00 H new ATOM 257 N LYS A 18 -14.043 -5.171 0.434 1.00 0.00 N ATOM 258 CA LYS A 18 -15.115 -5.674 1.279 1.00 0.00 C ATOM 259 C LYS A 18 -14.694 -5.680 2.755 1.00 0.00 C ATOM 260 O LYS A 18 -15.543 -5.681 3.645 1.00 0.00 O ATOM 261 CB LYS A 18 -15.474 -7.101 0.820 1.00 0.00 C ATOM 262 CG LYS A 18 -16.052 -7.165 -0.590 1.00 0.00 C ATOM 263 CD LYS A 18 -16.338 -8.589 -1.031 1.00 0.00 C ATOM 264 CE LYS A 18 -17.259 -9.312 -0.060 1.00 0.00 C ATOM 265 NZ LYS A 18 -18.625 -8.718 -0.029 1.00 0.00 N ATOM 0 H LYS A 18 -13.804 -5.805 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.984 -5.022 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.580 -7.723 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.195 -7.527 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.973 -6.583 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.353 -6.704 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.793 -8.577 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.400 -9.137 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.328 -10.363 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.828 -9.278 0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.226 -9.264 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.568 -7.732 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.036 -8.742 -0.984 1.00 0.00 H new ATOM 279 N PHE A 19 -13.380 -5.681 3.005 1.00 0.00 N ATOM 280 CA PHE A 19 -12.854 -5.703 4.371 1.00 0.00 C ATOM 281 C PHE A 19 -11.798 -4.624 4.589 1.00 0.00 C ATOM 282 O PHE A 19 -11.200 -4.554 5.659 1.00 0.00 O ATOM 283 CB PHE A 19 -12.207 -7.053 4.687 1.00 0.00 C ATOM 284 CG PHE A 19 -13.131 -8.227 4.576 1.00 0.00 C ATOM 285 CD1 PHE A 19 -14.015 -8.527 5.600 1.00 0.00 C ATOM 286 CD2 PHE A 19 -13.107 -9.038 3.454 1.00 0.00 C ATOM 287 CE1 PHE A 19 -14.860 -9.612 5.503 1.00 0.00 C ATOM 288 CE2 PHE A 19 -13.951 -10.123 3.352 1.00 0.00 C ATOM 289 CZ PHE A 19 -14.828 -10.413 4.377 1.00 0.00 C ATOM 0 H PHE A 19 -12.664 -5.667 2.279 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.705 -5.523 5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.365 -7.205 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.803 -7.020 5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -14.042 -7.905 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.420 -8.818 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.546 -9.836 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.926 -10.746 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.488 -11.264 4.300 1.00 0.00 H new ATOM 299 N ILE A 20 -11.560 -3.794 3.588 1.00 0.00 N ATOM 300 CA ILE A 20 -10.429 -2.876 3.634 1.00 0.00 C ATOM 301 C ILE A 20 -10.841 -1.462 4.027 1.00 0.00 C ATOM 302 O ILE A 20 -11.688 -0.839 3.381 1.00 0.00 O ATOM 303 CB ILE A 20 -9.664 -2.855 2.304 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.899 -4.164 2.137 1.00 0.00 C ATOM 305 CG2 ILE A 20 -8.712 -1.672 2.220 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.300 -4.719 3.418 1.00 0.00 C ATOM 0 H ILE A 20 -12.126 -3.735 2.742 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.764 -3.254 4.411 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.388 -2.747 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.571 -4.910 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.098 -4.011 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.189 -1.693 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.277 -0.744 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.986 -1.731 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.776 -5.650 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.599 -3.996 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.095 -4.910 4.139 1.00 0.00 H new ATOM 318 N VAL A 21 -10.231 -0.964 5.097 1.00 0.00 N ATOM 319 CA VAL A 21 -10.449 0.408 5.538 1.00 0.00 C ATOM 320 C VAL A 21 -9.164 1.224 5.402 1.00 0.00 C ATOM 321 O VAL A 21 -9.177 2.447 5.530 1.00 0.00 O ATOM 322 CB VAL A 21 -10.945 0.475 6.998 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.307 -0.184 7.131 1.00 0.00 C ATOM 324 CG2 VAL A 21 -9.942 -0.173 7.944 1.00 0.00 C ATOM 0 H VAL A 21 -9.579 -1.493 5.677 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.223 0.829 4.897 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.042 1.525 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.639 -0.126 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.024 0.330 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.236 -1.229 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.315 -0.113 8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.805 -1.219 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.987 0.348 7.875 1.00 0.00 H new ATOM 334 N GLY A 22 -8.060 0.532 5.126 1.00 0.00 N ATOM 335 CA GLY A 22 -6.771 1.185 5.009 1.00 0.00 C ATOM 336 C GLY A 22 -5.871 0.463 4.032 1.00 0.00 C ATOM 337 O GLY A 22 -6.062 -0.720 3.761 1.00 0.00 O ATOM 0 H GLY A 22 -8.039 -0.477 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.912 2.215 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.291 1.224 5.987 1.00 0.00 H new ATOM 341 N PHE A 23 -4.885 1.170 3.517 1.00 0.00 N ATOM 342 CA PHE A 23 -3.995 0.647 2.500 1.00 0.00 C ATOM 343 C PHE A 23 -2.677 1.408 2.525 1.00 0.00 C ATOM 344 O PHE A 23 -2.653 2.631 2.644 1.00 0.00 O ATOM 345 CB PHE A 23 -4.702 0.771 1.166 1.00 0.00 C ATOM 346 CG PHE A 23 -3.789 1.005 0.029 1.00 0.00 C ATOM 347 CD1 PHE A 23 -3.179 -0.052 -0.609 1.00 0.00 C ATOM 348 CD2 PHE A 23 -3.548 2.290 -0.396 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.327 0.173 -1.656 1.00 0.00 C ATOM 350 CE2 PHE A 23 -2.695 2.522 -1.442 1.00 0.00 C ATOM 351 CZ PHE A 23 -2.089 1.454 -2.072 1.00 0.00 C ATOM 0 H PHE A 23 -4.678 2.129 3.794 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.756 -0.401 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.272 -0.139 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.419 1.591 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.374 -1.063 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.033 3.120 0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.845 -0.657 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.498 3.532 -1.771 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.420 1.631 -2.901 1.00 0.00 H new ATOM 361 N THR A 24 -1.590 0.665 2.462 1.00 0.00 N ATOM 362 CA THR A 24 -0.261 1.236 2.441 1.00 0.00 C ATOM 363 C THR A 24 0.597 0.488 1.432 1.00 0.00 C ATOM 364 O THR A 24 1.036 -0.632 1.696 1.00 0.00 O ATOM 365 CB THR A 24 0.417 1.153 3.822 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.430 1.722 4.833 1.00 0.00 O ATOM 367 CG2 THR A 24 1.759 1.872 3.810 1.00 0.00 C ATOM 0 H THR A 24 -1.605 -0.354 2.424 1.00 0.00 H new ATOM 0 HA THR A 24 -0.356 2.286 2.165 1.00 0.00 H new ATOM 0 HB THR A 24 0.586 0.101 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.055 1.533 5.718 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.219 1.800 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.413 1.410 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.607 2.921 3.556 1.00 0.00 H new ATOM 375 N ARG A 25 0.819 1.082 0.271 1.00 0.00 N ATOM 376 CA ARG A 25 1.633 0.437 -0.745 1.00 0.00 C ATOM 377 C ARG A 25 3.111 0.592 -0.398 1.00 0.00 C ATOM 378 O ARG A 25 3.764 1.567 -0.766 1.00 0.00 O ATOM 379 CB ARG A 25 1.305 0.972 -2.148 1.00 0.00 C ATOM 380 CG ARG A 25 1.440 2.480 -2.308 1.00 0.00 C ATOM 381 CD ARG A 25 0.839 2.960 -3.623 1.00 0.00 C ATOM 382 NE ARG A 25 1.323 2.182 -4.765 1.00 0.00 N ATOM 383 CZ ARG A 25 1.055 2.482 -6.041 1.00 0.00 C ATOM 384 NH1 ARG A 25 0.231 3.478 -6.326 1.00 0.00 N ATOM 385 NH2 ARG A 25 1.590 1.771 -7.029 1.00 0.00 N ATOM 0 H ARG A 25 0.452 1.998 0.011 1.00 0.00 H new ATOM 0 HA ARG A 25 1.401 -0.628 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.961 0.485 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.284 0.685 -2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.944 2.981 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.493 2.758 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.248 2.890 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.084 4.012 -3.771 1.00 0.00 H new ATOM 0 HE ARG A 25 1.899 1.362 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.199 4.016 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.026 3.708 -7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.210 0.990 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.380 2.007 -7.999 1.00 0.00 H new ATOM 399 N GLN A 26 3.611 -0.377 0.355 1.00 0.00 N ATOM 400 CA GLN A 26 4.967 -0.342 0.864 1.00 0.00 C ATOM 401 C GLN A 26 5.948 -0.594 -0.266 1.00 0.00 C ATOM 402 O GLN A 26 5.981 -1.680 -0.841 1.00 0.00 O ATOM 403 CB GLN A 26 5.123 -1.393 1.958 1.00 0.00 C ATOM 404 CG GLN A 26 6.115 -1.008 3.030 1.00 0.00 C ATOM 405 CD GLN A 26 5.985 -1.851 4.280 1.00 0.00 C ATOM 406 OE1 GLN A 26 5.602 -3.103 4.105 1.00 0.00 O flip ATOM 407 NE2 GLN A 26 6.241 -1.389 5.387 1.00 0.00 N flip ATOM 0 H GLN A 26 3.085 -1.207 0.628 1.00 0.00 H new ATOM 0 HA GLN A 26 5.176 0.641 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.152 -1.571 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.437 -2.333 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.126 -1.106 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.974 0.041 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.534 -0.416 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.161 -1.978 6.216 1.00 0.00 H new ATOM 416 N LEU A 27 6.749 0.405 -0.574 1.00 0.00 N ATOM 417 CA LEU A 27 7.596 0.357 -1.746 1.00 0.00 C ATOM 418 C LEU A 27 9.062 0.390 -1.365 1.00 0.00 C ATOM 419 O LEU A 27 9.419 0.756 -0.245 1.00 0.00 O ATOM 420 CB LEU A 27 7.266 1.520 -2.680 1.00 0.00 C ATOM 421 CG LEU A 27 5.836 1.526 -3.232 1.00 0.00 C ATOM 422 CD1 LEU A 27 5.596 2.757 -4.091 1.00 0.00 C ATOM 423 CD2 LEU A 27 5.567 0.259 -4.032 1.00 0.00 C ATOM 0 H LEU A 27 6.831 1.262 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 27 7.405 -0.583 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.436 2.454 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.962 1.501 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 27 5.146 1.556 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.575 2.741 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.745 3.654 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.296 2.759 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.547 0.281 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.267 0.199 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.694 -0.611 -3.388 1.00 0.00 H new ATOM 435 N ALA A 28 9.904 0.025 -2.315 1.00 0.00 N ATOM 436 CA ALA A 28 11.334 -0.069 -2.089 1.00 0.00 C ATOM 437 C ALA A 28 11.985 1.308 -1.993 1.00 0.00 C ATOM 438 O ALA A 28 12.877 1.531 -1.178 1.00 0.00 O ATOM 439 CB ALA A 28 11.961 -0.875 -3.211 1.00 0.00 C ATOM 0 H ALA A 28 9.616 -0.214 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 28 11.501 -0.569 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.036 -0.950 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.526 -1.874 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.772 -0.380 -4.164 1.00 0.00 H new ATOM 445 N ASN A 29 11.508 2.237 -2.802 1.00 0.00 N ATOM 446 CA ASN A 29 12.119 3.564 -2.902 1.00 0.00 C ATOM 447 C ASN A 29 12.066 4.328 -1.574 1.00 0.00 C ATOM 448 O ASN A 29 12.852 5.250 -1.357 1.00 0.00 O ATOM 449 CB ASN A 29 11.451 4.381 -4.019 1.00 0.00 C ATOM 450 CG ASN A 29 9.962 4.588 -3.800 1.00 0.00 C ATOM 451 OD1 ASN A 29 9.547 5.536 -3.143 1.00 0.00 O ATOM 452 ND2 ASN A 29 9.141 3.710 -4.361 1.00 0.00 N ATOM 0 H ASN A 29 10.696 2.103 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 29 13.171 3.417 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.940 5.353 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.605 3.875 -4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.132 3.813 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.519 2.932 -4.902 1.00 0.00 H new ATOM 459 N GLU A 30 11.173 3.928 -0.676 1.00 0.00 N ATOM 460 CA GLU A 30 11.023 4.618 0.601 1.00 0.00 C ATOM 461 C GLU A 30 11.854 3.967 1.704 1.00 0.00 C ATOM 462 O GLU A 30 11.653 4.247 2.889 1.00 0.00 O ATOM 463 CB GLU A 30 9.554 4.658 1.013 1.00 0.00 C ATOM 464 CG GLU A 30 8.721 5.622 0.188 1.00 0.00 C ATOM 465 CD GLU A 30 9.141 7.073 0.368 1.00 0.00 C ATOM 466 OE1 GLU A 30 8.622 7.736 1.288 1.00 0.00 O ATOM 467 OE2 GLU A 30 9.985 7.561 -0.413 1.00 0.00 O ATOM 0 H GLU A 30 10.545 3.135 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 30 11.390 5.635 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.132 3.657 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.487 4.939 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.802 5.354 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.672 5.516 0.464 1.00 0.00 H new ATOM 474 N GLY A 31 12.782 3.094 1.324 1.00 0.00 N ATOM 475 CA GLY A 31 13.692 2.529 2.301 1.00 0.00 C ATOM 476 C GLY A 31 13.894 1.037 2.151 1.00 0.00 C ATOM 477 O GLY A 31 14.960 0.518 2.486 1.00 0.00 O ATOM 0 H GLY A 31 12.919 2.771 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.657 3.028 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.312 2.737 3.301 1.00 0.00 H new ATOM 481 N CYS A 32 12.882 0.336 1.664 1.00 0.00 N ATOM 482 CA CYS A 32 12.977 -1.108 1.538 1.00 0.00 C ATOM 483 C CYS A 32 13.631 -1.518 0.216 1.00 0.00 C ATOM 484 O CYS A 32 14.206 -0.694 -0.492 1.00 0.00 O ATOM 485 CB CYS A 32 11.614 -1.761 1.657 1.00 0.00 C ATOM 486 SG CYS A 32 11.743 -3.481 2.241 1.00 0.00 S ATOM 0 H CYS A 32 11.997 0.737 1.354 1.00 0.00 H new ATOM 0 HA CYS A 32 13.607 -1.455 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.994 -1.188 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.115 -1.742 0.688 1.00 0.00 H new ATOM 491 N ASP A 33 13.553 -2.804 -0.100 1.00 0.00 N ATOM 492 CA ASP A 33 14.076 -3.316 -1.356 1.00 0.00 C ATOM 493 C ASP A 33 12.961 -3.964 -2.165 1.00 0.00 C ATOM 494 O ASP A 33 12.930 -3.860 -3.390 1.00 0.00 O ATOM 495 CB ASP A 33 15.199 -4.326 -1.108 1.00 0.00 C ATOM 496 CG ASP A 33 15.754 -4.898 -2.395 1.00 0.00 C ATOM 497 OD1 ASP A 33 16.606 -4.238 -3.026 1.00 0.00 O ATOM 498 OD2 ASP A 33 15.346 -6.009 -2.784 1.00 0.00 O ATOM 0 H ASP A 33 13.131 -3.513 0.500 1.00 0.00 H new ATOM 0 HA ASP A 33 14.485 -2.479 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.002 -3.843 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.823 -5.138 -0.485 1.00 0.00 H new ATOM 503 N ILE A 34 12.037 -4.622 -1.478 1.00 0.00 N ATOM 504 CA ILE A 34 10.904 -5.239 -2.151 1.00 0.00 C ATOM 505 C ILE A 34 9.650 -4.394 -1.915 1.00 0.00 C ATOM 506 O ILE A 34 9.738 -3.316 -1.325 1.00 0.00 O ATOM 507 CB ILE A 34 10.702 -6.709 -1.700 1.00 0.00 C ATOM 508 CG1 ILE A 34 10.048 -6.806 -0.324 1.00 0.00 C ATOM 509 CG2 ILE A 34 12.049 -7.411 -1.667 1.00 0.00 C ATOM 510 CD1 ILE A 34 9.922 -8.225 0.192 1.00 0.00 C ATOM 0 H ILE A 34 12.049 -4.741 -0.465 1.00 0.00 H new ATOM 0 HA ILE A 34 11.106 -5.272 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 34 10.035 -7.188 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.630 -6.221 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.056 -6.356 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.913 -8.445 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.494 -7.392 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 34 12.708 -6.901 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.449 -8.214 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.314 -8.810 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.913 -8.672 0.272 1.00 0.00 H new ATOM 522 N ASN A 35 8.500 -4.848 -2.381 1.00 0.00 N ATOM 523 CA ASN A 35 7.294 -4.038 -2.310 1.00 0.00 C ATOM 524 C ASN A 35 6.081 -4.860 -1.901 1.00 0.00 C ATOM 525 O ASN A 35 5.617 -5.721 -2.638 1.00 0.00 O ATOM 526 CB ASN A 35 7.042 -3.334 -3.651 1.00 0.00 C ATOM 527 CG ASN A 35 7.337 -4.207 -4.863 1.00 0.00 C ATOM 528 OD1 ASN A 35 7.208 -5.430 -4.833 1.00 0.00 O ATOM 529 ND2 ASN A 35 7.736 -3.574 -5.949 1.00 0.00 N ATOM 0 H ASN A 35 8.374 -5.765 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 35 7.450 -3.284 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.002 -3.010 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.658 -2.436 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.948 -4.100 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.833 -2.559 -5.941 1.00 0.00 H new ATOM 536 N ALA A 36 5.575 -4.586 -0.714 1.00 0.00 N ATOM 537 CA ALA A 36 4.406 -5.284 -0.204 1.00 0.00 C ATOM 538 C ALA A 36 3.228 -4.330 -0.078 1.00 0.00 C ATOM 539 O ALA A 36 3.292 -3.341 0.652 1.00 0.00 O ATOM 540 CB ALA A 36 4.714 -5.926 1.135 1.00 0.00 C ATOM 0 H ALA A 36 5.955 -3.882 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 36 4.139 -6.070 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.828 -6.444 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.529 -6.640 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.006 -5.156 1.849 1.00 0.00 H new ATOM 546 N ILE A 37 2.157 -4.630 -0.787 1.00 0.00 N ATOM 547 CA ILE A 37 0.972 -3.786 -0.774 1.00 0.00 C ATOM 548 C ILE A 37 0.139 -4.072 0.474 1.00 0.00 C ATOM 549 O ILE A 37 -0.613 -5.031 0.521 1.00 0.00 O ATOM 550 CB ILE A 37 0.115 -4.018 -2.037 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.968 -3.865 -3.306 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.067 -3.059 -2.072 1.00 0.00 C ATOM 553 CD1 ILE A 37 1.595 -2.492 -3.470 1.00 0.00 C ATOM 0 H ILE A 37 2.081 -5.455 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 37 1.296 -2.745 -0.763 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.272 -5.037 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.759 -4.614 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.346 -4.075 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.657 -3.241 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.690 -3.217 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.702 -2.032 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.180 -2.467 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.810 -1.737 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.245 -2.285 -2.620 1.00 0.00 H new ATOM 565 N ILE A 38 0.289 -3.256 1.497 1.00 0.00 N ATOM 566 CA ILE A 38 -0.380 -3.519 2.762 1.00 0.00 C ATOM 567 C ILE A 38 -1.836 -3.075 2.726 1.00 0.00 C ATOM 568 O ILE A 38 -2.127 -1.885 2.668 1.00 0.00 O ATOM 569 CB ILE A 38 0.310 -2.809 3.945 1.00 0.00 C ATOM 570 CG1 ILE A 38 1.808 -3.109 3.969 1.00 0.00 C ATOM 571 CG2 ILE A 38 -0.336 -3.238 5.250 1.00 0.00 C ATOM 572 CD1 ILE A 38 2.526 -2.519 5.167 1.00 0.00 C ATOM 0 H ILE A 38 0.862 -2.412 1.482 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.323 -4.598 2.908 1.00 0.00 H new ATOM 0 HB ILE A 38 0.187 -1.733 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.954 -4.189 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.262 -2.722 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.155 -2.734 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.393 -2.972 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.235 -4.317 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.585 -2.772 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.411 -1.435 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.098 -2.925 6.084 1.00 0.00 H new ATOM 584 N PHE A 39 -2.744 -4.032 2.763 1.00 0.00 N ATOM 585 CA PHE A 39 -4.156 -3.728 2.925 1.00 0.00 C ATOM 586 C PHE A 39 -4.527 -3.886 4.391 1.00 0.00 C ATOM 587 O PHE A 39 -4.342 -4.948 4.978 1.00 0.00 O ATOM 588 CB PHE A 39 -5.040 -4.636 2.070 1.00 0.00 C ATOM 589 CG PHE A 39 -4.874 -4.459 0.587 1.00 0.00 C ATOM 590 CD1 PHE A 39 -4.948 -3.203 -0.003 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.661 -5.562 -0.219 1.00 0.00 C ATOM 592 CE1 PHE A 39 -4.805 -3.060 -1.372 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.518 -5.425 -1.583 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.588 -4.179 -2.163 1.00 0.00 C ATOM 0 H PHE A 39 -2.531 -5.026 2.683 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.325 -2.703 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.825 -5.674 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.083 -4.454 2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.118 -2.332 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.606 -6.544 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.862 -2.080 -1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.351 -6.297 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.474 -4.072 -3.232 1.00 0.00 H new ATOM 604 N HIS A 40 -5.043 -2.827 4.982 1.00 0.00 N ATOM 605 CA HIS A 40 -5.365 -2.834 6.400 1.00 0.00 C ATOM 606 C HIS A 40 -6.847 -3.127 6.565 1.00 0.00 C ATOM 607 O HIS A 40 -7.696 -2.316 6.187 1.00 0.00 O ATOM 608 CB HIS A 40 -5.006 -1.493 7.063 1.00 0.00 C ATOM 609 CG HIS A 40 -3.598 -1.033 6.806 1.00 0.00 C ATOM 610 ND1 HIS A 40 -2.664 -0.832 7.796 1.00 0.00 N ATOM 611 CD2 HIS A 40 -2.989 -0.693 5.653 1.00 0.00 C ATOM 612 CE1 HIS A 40 -1.545 -0.381 7.253 1.00 0.00 C ATOM 613 NE2 HIS A 40 -1.718 -0.285 5.955 1.00 0.00 N ATOM 0 H HIS A 40 -5.249 -1.949 4.505 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.776 -3.608 6.893 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.696 -0.729 6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.156 -1.581 8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.426 -0.735 4.666 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.640 -0.133 7.788 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.022 0.039 5.284 1.00 0.00 H new ATOM 622 N THR A 41 -7.144 -4.296 7.102 1.00 0.00 N ATOM 623 CA THR A 41 -8.517 -4.755 7.230 1.00 0.00 C ATOM 624 C THR A 41 -9.283 -3.979 8.289 1.00 0.00 C ATOM 625 O THR A 41 -8.694 -3.302 9.134 1.00 0.00 O ATOM 626 CB THR A 41 -8.566 -6.256 7.571 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.789 -6.516 8.749 1.00 0.00 O ATOM 628 CG2 THR A 41 -8.043 -7.094 6.414 1.00 0.00 C ATOM 0 H THR A 41 -6.448 -4.950 7.459 1.00 0.00 H new ATOM 0 HA THR A 41 -8.993 -4.583 6.265 1.00 0.00 H new ATOM 0 HB THR A 41 -9.605 -6.531 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.836 -6.424 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.088 -8.150 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.655 -6.916 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.010 -6.817 6.202 1.00 0.00 H new ATOM 636 N LYS A 42 -10.602 -4.093 8.238 1.00 0.00 N ATOM 637 CA LYS A 42 -11.470 -3.564 9.262 1.00 0.00 C ATOM 638 C LYS A 42 -11.259 -4.331 10.569 1.00 0.00 C ATOM 639 O LYS A 42 -11.858 -4.021 11.595 1.00 0.00 O ATOM 640 CB LYS A 42 -12.921 -3.676 8.788 1.00 0.00 C ATOM 641 CG LYS A 42 -13.375 -5.106 8.526 1.00 0.00 C ATOM 642 CD LYS A 42 -14.784 -5.153 7.955 1.00 0.00 C ATOM 643 CE LYS A 42 -15.822 -4.671 8.956 1.00 0.00 C ATOM 644 NZ LYS A 42 -16.008 -5.629 10.079 1.00 0.00 N ATOM 0 H LYS A 42 -11.096 -4.559 7.477 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.238 -2.515 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.574 -3.229 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.041 -3.094 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.685 -5.586 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.340 -5.675 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.832 -4.536 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.019 -6.174 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.518 -3.703 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.774 -4.522 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.816 -5.329 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.190 -6.579 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.148 -5.650 10.664 1.00 0.00 H new ATOM 658 N LYS A 43 -10.402 -5.344 10.513 1.00 0.00 N ATOM 659 CA LYS A 43 -10.063 -6.120 11.684 1.00 0.00 C ATOM 660 C LYS A 43 -8.789 -5.557 12.326 1.00 0.00 C ATOM 661 O LYS A 43 -8.313 -6.064 13.343 1.00 0.00 O ATOM 662 CB LYS A 43 -9.880 -7.596 11.308 1.00 0.00 C ATOM 663 CG LYS A 43 -9.902 -8.529 12.508 1.00 0.00 C ATOM 664 CD LYS A 43 -9.600 -9.964 12.113 1.00 0.00 C ATOM 665 CE LYS A 43 -9.678 -10.896 13.311 1.00 0.00 C ATOM 666 NZ LYS A 43 -11.065 -11.023 13.828 1.00 0.00 N ATOM 0 H LYS A 43 -9.930 -5.643 9.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.876 -6.054 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.669 -7.888 10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.933 -7.715 10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.171 -8.193 13.243 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.880 -8.482 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.307 -10.290 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.605 -10.020 11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.305 -11.881 13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.029 -10.523 14.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.109 -11.801 14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.346 -10.135 14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.713 -11.223 13.039 1.00 0.00 H new ATOM 680 N LYS A 44 -8.264 -4.488 11.705 1.00 0.00 N ATOM 681 CA LYS A 44 -7.042 -3.791 12.144 1.00 0.00 C ATOM 682 C LYS A 44 -5.786 -4.547 11.724 1.00 0.00 C ATOM 683 O LYS A 44 -4.669 -4.096 11.972 1.00 0.00 O ATOM 684 CB LYS A 44 -7.023 -3.555 13.657 1.00 0.00 C ATOM 685 CG LYS A 44 -8.226 -2.785 14.175 1.00 0.00 C ATOM 686 CD LYS A 44 -8.137 -2.564 15.675 1.00 0.00 C ATOM 687 CE LYS A 44 -7.934 -3.872 16.428 1.00 0.00 C ATOM 688 NZ LYS A 44 -8.986 -4.877 16.112 1.00 0.00 N ATOM 0 H LYS A 44 -8.683 -4.077 10.871 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.050 -2.820 11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.975 -4.518 14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.115 -3.011 13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.291 -1.823 13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.139 -3.332 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.312 -1.886 15.894 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.049 -2.080 16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.956 -4.283 16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.934 -3.675 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.972 -5.631 16.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.918 -4.416 16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.804 -5.287 15.174 1.00 0.00 H new ATOM 702 N LEU A 45 -5.971 -5.687 11.077 1.00 0.00 N ATOM 703 CA LEU A 45 -4.846 -6.481 10.610 1.00 0.00 C ATOM 704 C LEU A 45 -4.361 -5.957 9.266 1.00 0.00 C ATOM 705 O LEU A 45 -5.121 -5.913 8.293 1.00 0.00 O ATOM 706 CB LEU A 45 -5.233 -7.957 10.483 1.00 0.00 C ATOM 707 CG LEU A 45 -5.637 -8.653 11.787 1.00 0.00 C ATOM 708 CD1 LEU A 45 -5.965 -10.116 11.521 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.532 -8.537 12.830 1.00 0.00 C ATOM 0 H LEU A 45 -6.887 -6.082 10.864 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.043 -6.397 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.061 -8.037 9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.392 -8.498 10.049 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.526 -8.158 12.179 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.251 -10.600 12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.790 -10.181 10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.090 -10.616 11.106 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.843 -9.039 13.746 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.623 -9.004 12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.339 -7.485 13.040 1.00 0.00 H new ATOM 721 N SER A 46 -3.111 -5.538 9.224 1.00 0.00 N ATOM 722 CA SER A 46 -2.515 -5.045 7.998 1.00 0.00 C ATOM 723 C SER A 46 -1.892 -6.200 7.223 1.00 0.00 C ATOM 724 O SER A 46 -0.861 -6.745 7.612 1.00 0.00 O ATOM 725 CB SER A 46 -1.475 -3.978 8.323 1.00 0.00 C ATOM 726 OG SER A 46 -1.958 -3.097 9.328 1.00 0.00 O ATOM 0 H SER A 46 -2.486 -5.529 10.030 1.00 0.00 H new ATOM 0 HA SER A 46 -3.286 -4.593 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.553 -4.452 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.232 -3.413 7.423 1.00 0.00 H new ATOM 0 HG SER A 46 -2.328 -2.293 8.908 1.00 0.00 H new ATOM 732 N VAL A 47 -2.547 -6.575 6.137 1.00 0.00 N ATOM 733 CA VAL A 47 -2.146 -7.726 5.347 1.00 0.00 C ATOM 734 C VAL A 47 -1.178 -7.308 4.241 1.00 0.00 C ATOM 735 O VAL A 47 -1.424 -6.334 3.529 1.00 0.00 O ATOM 736 CB VAL A 47 -3.383 -8.409 4.721 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.001 -9.705 4.036 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.452 -8.658 5.777 1.00 0.00 C ATOM 0 H VAL A 47 -3.370 -6.091 5.779 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.645 -8.432 6.009 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.792 -7.736 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.890 -10.164 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.279 -9.500 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.559 -10.385 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.314 -9.139 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.050 -9.305 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.758 -7.708 6.216 1.00 0.00 H new ATOM 748 N CYS A 48 -0.083 -8.042 4.092 1.00 0.00 N ATOM 749 CA CYS A 48 0.918 -7.706 3.096 1.00 0.00 C ATOM 750 C CYS A 48 0.564 -8.372 1.775 1.00 0.00 C ATOM 751 O CYS A 48 0.919 -9.527 1.513 1.00 0.00 O ATOM 752 CB CYS A 48 2.317 -8.111 3.574 1.00 0.00 C ATOM 753 SG CYS A 48 2.774 -7.379 5.186 1.00 0.00 S ATOM 0 H CYS A 48 0.131 -8.870 4.647 1.00 0.00 H new ATOM 0 HA CYS A 48 0.929 -6.626 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.367 -9.197 3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.050 -7.810 2.826 1.00 0.00 H new ATOM 758 N ALA A 49 -0.174 -7.642 0.962 1.00 0.00 N ATOM 759 CA ALA A 49 -0.705 -8.163 -0.275 1.00 0.00 C ATOM 760 C ALA A 49 0.376 -8.240 -1.346 1.00 0.00 C ATOM 761 O ALA A 49 1.291 -7.417 -1.384 1.00 0.00 O ATOM 762 CB ALA A 49 -1.871 -7.295 -0.721 1.00 0.00 C ATOM 0 H ALA A 49 -0.421 -6.669 1.144 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.063 -9.180 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.277 -7.683 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.647 -7.307 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.526 -6.272 -0.872 1.00 0.00 H new ATOM 768 N ASN A 50 0.276 -9.253 -2.197 1.00 0.00 N ATOM 769 CA ASN A 50 1.268 -9.481 -3.240 1.00 0.00 C ATOM 770 C ASN A 50 0.958 -8.633 -4.453 1.00 0.00 C ATOM 771 O ASN A 50 -0.159 -8.662 -4.961 1.00 0.00 O ATOM 772 CB ASN A 50 1.293 -10.949 -3.678 1.00 0.00 C ATOM 773 CG ASN A 50 1.727 -11.911 -2.592 1.00 0.00 C ATOM 774 OD1 ASN A 50 1.404 -11.610 -1.344 1.00 0.00 O flip ATOM 775 ND2 ASN A 50 2.354 -12.929 -2.874 1.00 0.00 N flip ATOM 0 H ASN A 50 -0.485 -9.932 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 50 2.239 -9.212 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.298 -11.231 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.966 -11.052 -4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.587 -13.132 -3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.642 -13.572 -2.136 1.00 0.00 H new ATOM 782 N PRO A 51 1.936 -7.879 -4.955 1.00 0.00 N ATOM 783 CA PRO A 51 1.763 -7.084 -6.171 1.00 0.00 C ATOM 784 C PRO A 51 1.649 -7.953 -7.436 1.00 0.00 C ATOM 785 O PRO A 51 1.618 -7.445 -8.557 1.00 0.00 O ATOM 786 CB PRO A 51 3.029 -6.218 -6.228 1.00 0.00 C ATOM 787 CG PRO A 51 3.657 -6.342 -4.880 1.00 0.00 C ATOM 788 CD PRO A 51 3.267 -7.695 -4.366 1.00 0.00 C ATOM 0 HA PRO A 51 0.839 -6.506 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.706 -6.563 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.785 -5.180 -6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.741 -6.246 -4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.307 -5.555 -4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.965 -8.469 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.238 -7.724 -3.277 1.00 0.00 H new ATOM 796 N LYS A 52 1.586 -9.268 -7.236 1.00 0.00 N ATOM 797 CA LYS A 52 1.535 -10.231 -8.334 1.00 0.00 C ATOM 798 C LYS A 52 0.101 -10.580 -8.717 1.00 0.00 C ATOM 799 O LYS A 52 -0.172 -10.983 -9.846 1.00 0.00 O ATOM 800 CB LYS A 52 2.235 -11.527 -7.924 1.00 0.00 C ATOM 801 CG LYS A 52 3.709 -11.379 -7.587 1.00 0.00 C ATOM 802 CD LYS A 52 4.301 -12.717 -7.167 1.00 0.00 C ATOM 803 CE LYS A 52 4.194 -13.745 -8.286 1.00 0.00 C ATOM 804 NZ LYS A 52 4.550 -15.113 -7.827 1.00 0.00 N ATOM 0 H LYS A 52 1.569 -9.695 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 52 2.032 -9.768 -9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.719 -11.943 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.133 -12.250 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.248 -10.992 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.833 -10.653 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.347 -12.584 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.782 -13.085 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.177 -13.748 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.851 -13.456 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.463 -15.779 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.529 -15.118 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.907 -15.401 -7.062 1.00 0.00 H new ATOM 818 N GLN A 53 -0.808 -10.419 -7.771 1.00 0.00 N ATOM 819 CA GLN A 53 -2.147 -10.994 -7.886 1.00 0.00 C ATOM 820 C GLN A 53 -3.194 -9.942 -8.253 1.00 0.00 C ATOM 821 O GLN A 53 -3.142 -8.802 -7.786 1.00 0.00 O ATOM 822 CB GLN A 53 -2.500 -11.715 -6.581 1.00 0.00 C ATOM 823 CG GLN A 53 -1.930 -11.015 -5.361 1.00 0.00 C ATOM 824 CD GLN A 53 -2.006 -11.829 -4.092 1.00 0.00 C ATOM 825 OE1 GLN A 53 -2.127 -11.138 -2.971 1.00 0.00 O flip ATOM 826 NE2 GLN A 53 -1.964 -13.055 -4.114 1.00 0.00 N flip ATOM 0 H GLN A 53 -0.648 -9.895 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.148 -11.716 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.584 -11.779 -6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.122 -12.737 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.888 -10.761 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.464 -10.077 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.870 -13.546 -5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.023 -13.583 -3.243 1.00 0.00 H new ATOM 835 N THR A 54 -4.149 -10.349 -9.085 1.00 0.00 N ATOM 836 CA THR A 54 -5.128 -9.436 -9.671 1.00 0.00 C ATOM 837 C THR A 54 -6.061 -8.819 -8.644 1.00 0.00 C ATOM 838 O THR A 54 -6.431 -7.658 -8.778 1.00 0.00 O ATOM 839 CB THR A 54 -5.973 -10.136 -10.746 1.00 0.00 C ATOM 840 OG1 THR A 54 -6.235 -11.489 -10.351 1.00 0.00 O ATOM 841 CG2 THR A 54 -5.274 -10.104 -12.093 1.00 0.00 C ATOM 0 H THR A 54 -4.267 -11.321 -9.372 1.00 0.00 H new ATOM 0 HA THR A 54 -4.540 -8.635 -10.120 1.00 0.00 H new ATOM 0 HB THR A 54 -6.918 -9.603 -10.846 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.533 -12.075 -10.704 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.893 -10.606 -12.836 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.112 -9.069 -12.395 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.314 -10.614 -12.017 1.00 0.00 H new ATOM 849 N TRP A 55 -6.458 -9.582 -7.632 1.00 0.00 N ATOM 850 CA TRP A 55 -7.328 -9.041 -6.596 1.00 0.00 C ATOM 851 C TRP A 55 -6.640 -7.878 -5.904 1.00 0.00 C ATOM 852 O TRP A 55 -7.272 -6.893 -5.536 1.00 0.00 O ATOM 853 CB TRP A 55 -7.753 -10.122 -5.610 1.00 0.00 C ATOM 854 CG TRP A 55 -6.671 -10.584 -4.714 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.811 -11.587 -4.915 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.356 -10.039 -3.473 1.00 0.00 C ATOM 857 NE1 TRP A 55 -4.975 -11.710 -3.854 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.291 -10.761 -2.941 1.00 0.00 C ATOM 859 CE3 TRP A 55 -6.882 -9.014 -2.770 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -4.743 -10.462 -1.704 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.363 -8.711 -1.572 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.300 -9.422 -1.029 1.00 0.00 C ATOM 0 H TRP A 55 -6.197 -10.560 -7.508 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.241 -8.668 -7.060 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.575 -9.742 -5.003 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.137 -10.976 -6.168 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.785 -12.211 -5.796 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.232 -12.402 -3.759 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.710 -8.446 -3.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.916 -11.026 -1.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.784 -7.889 -1.012 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.912 -9.145 -0.060 1.00 0.00 H new ATOM 873 N VAL A 56 -5.331 -7.984 -5.792 1.00 0.00 N ATOM 874 CA VAL A 56 -4.523 -6.913 -5.260 1.00 0.00 C ATOM 875 C VAL A 56 -4.470 -5.760 -6.244 1.00 0.00 C ATOM 876 O VAL A 56 -4.744 -4.617 -5.882 1.00 0.00 O ATOM 877 CB VAL A 56 -3.099 -7.403 -4.950 1.00 0.00 C ATOM 878 CG1 VAL A 56 -2.137 -6.243 -4.831 1.00 0.00 C ATOM 879 CG2 VAL A 56 -3.098 -8.214 -3.676 1.00 0.00 C ATOM 0 H VAL A 56 -4.803 -8.812 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.980 -6.571 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.768 -8.032 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.138 -6.620 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.118 -5.689 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.461 -5.583 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.085 -8.557 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.452 -7.596 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.756 -9.075 -3.792 1.00 0.00 H new ATOM 889 N LYS A 57 -4.142 -6.080 -7.493 1.00 0.00 N ATOM 890 CA LYS A 57 -4.053 -5.081 -8.549 1.00 0.00 C ATOM 891 C LYS A 57 -5.356 -4.297 -8.649 1.00 0.00 C ATOM 892 O LYS A 57 -5.350 -3.086 -8.879 1.00 0.00 O ATOM 893 CB LYS A 57 -3.745 -5.748 -9.892 1.00 0.00 C ATOM 894 CG LYS A 57 -2.456 -6.552 -9.901 1.00 0.00 C ATOM 895 CD LYS A 57 -2.216 -7.192 -11.256 1.00 0.00 C ATOM 896 CE LYS A 57 -0.951 -8.039 -11.264 1.00 0.00 C ATOM 897 NZ LYS A 57 -0.742 -8.714 -12.573 1.00 0.00 N ATOM 0 H LYS A 57 -3.933 -7.031 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.244 -4.394 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.573 -6.405 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.687 -4.980 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.618 -5.902 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.501 -7.325 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.071 -7.813 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.138 -6.415 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.091 -7.408 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.011 -8.788 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.130 -9.280 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.551 -9.336 -12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.659 -7.999 -13.323 1.00 0.00 H new ATOM 911 N TYR A 58 -6.465 -4.996 -8.454 1.00 0.00 N ATOM 912 CA TYR A 58 -7.772 -4.385 -8.495 1.00 0.00 C ATOM 913 C TYR A 58 -7.963 -3.432 -7.318 1.00 0.00 C ATOM 914 O TYR A 58 -8.284 -2.257 -7.508 1.00 0.00 O ATOM 915 CB TYR A 58 -8.861 -5.463 -8.485 1.00 0.00 C ATOM 916 CG TYR A 58 -10.232 -4.935 -8.135 1.00 0.00 C ATOM 917 CD1 TYR A 58 -10.846 -3.953 -8.903 1.00 0.00 C ATOM 918 CD2 TYR A 58 -10.904 -5.413 -7.021 1.00 0.00 C ATOM 919 CE1 TYR A 58 -12.093 -3.467 -8.567 1.00 0.00 C ATOM 920 CE2 TYR A 58 -12.148 -4.935 -6.680 1.00 0.00 C ATOM 921 CZ TYR A 58 -12.741 -3.963 -7.454 1.00 0.00 C ATOM 922 OH TYR A 58 -13.985 -3.483 -7.108 1.00 0.00 O ATOM 0 H TYR A 58 -6.477 -5.998 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.852 -3.810 -9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.902 -5.935 -9.467 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.586 -6.238 -7.770 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.340 -3.565 -9.775 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.443 -6.174 -6.410 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.559 -2.703 -9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.657 -5.320 -5.809 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.299 -3.940 -6.300 1.00 0.00 H new ATOM 932 N ILE A 59 -7.756 -3.933 -6.101 1.00 0.00 N ATOM 933 CA ILE A 59 -7.983 -3.129 -4.905 1.00 0.00 C ATOM 934 C ILE A 59 -7.044 -1.923 -4.868 1.00 0.00 C ATOM 935 O ILE A 59 -7.475 -0.800 -4.604 1.00 0.00 O ATOM 936 CB ILE A 59 -7.812 -3.948 -3.608 1.00 0.00 C ATOM 937 CG1 ILE A 59 -8.754 -5.144 -3.610 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.092 -3.080 -2.391 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.532 -6.088 -2.451 1.00 0.00 C ATOM 0 H ILE A 59 -7.434 -4.884 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.016 -2.785 -4.957 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.783 -4.304 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.783 -4.786 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.630 -5.692 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.967 -3.673 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.396 -2.241 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.114 -2.703 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.237 -6.916 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.514 -6.475 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.685 -5.554 -1.513 1.00 0.00 H new ATOM 951 N VAL A 60 -5.766 -2.156 -5.159 1.00 0.00 N ATOM 952 CA VAL A 60 -4.771 -1.090 -5.125 1.00 0.00 C ATOM 953 C VAL A 60 -5.073 -0.031 -6.186 1.00 0.00 C ATOM 954 O VAL A 60 -4.762 1.143 -6.000 1.00 0.00 O ATOM 955 CB VAL A 60 -3.323 -1.624 -5.308 1.00 0.00 C ATOM 956 CG1 VAL A 60 -3.097 -2.175 -6.708 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.301 -0.537 -5.004 1.00 0.00 C ATOM 0 H VAL A 60 -5.397 -3.071 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.833 -0.637 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.191 -2.442 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.073 -2.538 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.790 -2.996 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.266 -1.386 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.295 -0.935 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.452 0.304 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.423 -0.201 -3.974 1.00 0.00 H new ATOM 967 N ARG A 61 -5.702 -0.448 -7.284 1.00 0.00 N ATOM 968 CA ARG A 61 -6.061 0.470 -8.358 1.00 0.00 C ATOM 969 C ARG A 61 -7.138 1.441 -7.883 1.00 0.00 C ATOM 970 O ARG A 61 -7.066 2.642 -8.140 1.00 0.00 O ATOM 971 CB ARG A 61 -6.565 -0.309 -9.576 1.00 0.00 C ATOM 972 CG ARG A 61 -6.709 0.537 -10.832 1.00 0.00 C ATOM 973 CD ARG A 61 -5.363 1.070 -11.301 1.00 0.00 C ATOM 974 NE ARG A 61 -4.393 -0.008 -11.493 1.00 0.00 N ATOM 975 CZ ARG A 61 -3.615 -0.132 -12.564 1.00 0.00 C ATOM 976 NH1 ARG A 61 -3.664 0.770 -13.538 1.00 0.00 N ATOM 977 NH2 ARG A 61 -2.780 -1.161 -12.646 1.00 0.00 N ATOM 0 H ARG A 61 -5.973 -1.417 -7.451 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.173 1.035 -8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.878 -1.130 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.531 -0.754 -9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.162 -0.059 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.383 1.370 -10.636 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.493 1.614 -12.237 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.978 1.781 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.308 -0.710 -10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.301 1.563 -13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.065 0.669 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.740 -1.847 -11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.179 -1.266 -13.463 1.00 0.00 H new ATOM 991 N LEU A 62 -8.134 0.913 -7.183 1.00 0.00 N ATOM 992 CA LEU A 62 -9.217 1.740 -6.677 1.00 0.00 C ATOM 993 C LEU A 62 -8.760 2.554 -5.478 1.00 0.00 C ATOM 994 O LEU A 62 -9.229 3.671 -5.261 1.00 0.00 O ATOM 995 CB LEU A 62 -10.423 0.885 -6.296 1.00 0.00 C ATOM 996 CG LEU A 62 -11.153 0.222 -7.462 1.00 0.00 C ATOM 997 CD1 LEU A 62 -12.409 -0.469 -6.961 1.00 0.00 C ATOM 998 CD2 LEU A 62 -11.499 1.244 -8.536 1.00 0.00 C ATOM 0 H LEU A 62 -8.213 -0.078 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.512 2.424 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.092 0.107 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.133 1.510 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.493 -0.523 -7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.924 -0.939 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.138 -1.229 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.067 0.265 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.018 0.748 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.143 2.014 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.584 1.702 -8.910 1.00 0.00 H new ATOM 1010 N LEU A 63 -7.848 1.990 -4.701 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.301 2.685 -3.544 1.00 0.00 C ATOM 1012 C LEU A 63 -6.374 3.816 -3.978 1.00 0.00 C ATOM 1013 O LEU A 63 -6.347 4.879 -3.361 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.596 1.700 -2.614 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.558 0.777 -1.859 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -6.799 -0.289 -1.098 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -8.436 1.588 -0.915 1.00 0.00 C ATOM 0 H LEU A 63 -7.471 1.054 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.123 3.136 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.905 1.092 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.999 2.258 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.198 0.279 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.504 -0.931 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.215 -0.888 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.131 0.184 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.115 0.920 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.808 2.113 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.014 2.312 -1.488 1.00 0.00 H new ATOM 1029 N SER A 64 -5.640 3.591 -5.059 1.00 0.00 N ATOM 1030 CA SER A 64 -4.830 4.638 -5.667 1.00 0.00 C ATOM 1031 C SER A 64 -5.626 5.313 -6.783 1.00 0.00 C ATOM 1032 O SER A 64 -5.211 5.332 -7.943 1.00 0.00 O ATOM 1033 CB SER A 64 -3.527 4.055 -6.219 1.00 0.00 C ATOM 1034 OG SER A 64 -2.846 3.295 -5.230 1.00 0.00 O ATOM 0 H SER A 64 -5.589 2.690 -5.534 1.00 0.00 H new ATOM 0 HA SER A 64 -4.576 5.379 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.744 3.424 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.883 4.862 -6.569 1.00 0.00 H new ATOM 0 HG SER A 64 -3.231 2.395 -5.186 1.00 0.00 H new ATOM 1040 N LYS A 65 -6.785 5.852 -6.416 1.00 0.00 N ATOM 1041 CA LYS A 65 -7.681 6.504 -7.368 1.00 0.00 C ATOM 1042 C LYS A 65 -7.128 7.872 -7.785 1.00 0.00 C ATOM 1043 O LYS A 65 -7.670 8.923 -7.446 1.00 0.00 O ATOM 1044 CB LYS A 65 -9.094 6.623 -6.765 1.00 0.00 C ATOM 1045 CG LYS A 65 -9.144 7.362 -5.432 1.00 0.00 C ATOM 1046 CD LYS A 65 -9.933 6.606 -4.364 1.00 0.00 C ATOM 1047 CE LYS A 65 -11.394 6.404 -4.748 1.00 0.00 C ATOM 1048 NZ LYS A 65 -11.610 5.149 -5.518 1.00 0.00 N ATOM 0 H LYS A 65 -7.129 5.850 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.748 5.893 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.739 7.138 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.504 5.622 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.127 7.529 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.594 8.343 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.468 5.635 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.881 7.154 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.004 6.383 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.732 7.254 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.509 4.714 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.643 5.367 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.829 4.488 -5.330 1.00 0.00 H new ATOM 1062 N LYS A 66 -6.046 7.835 -8.546 1.00 0.00 N ATOM 1063 CA LYS A 66 -5.300 9.034 -8.917 1.00 0.00 C ATOM 1064 C LYS A 66 -5.947 9.747 -10.111 1.00 0.00 C ATOM 1065 O LYS A 66 -5.266 10.308 -10.971 1.00 0.00 O ATOM 1066 CB LYS A 66 -3.852 8.630 -9.230 1.00 0.00 C ATOM 1067 CG LYS A 66 -2.875 9.791 -9.311 1.00 0.00 C ATOM 1068 CD LYS A 66 -1.444 9.290 -9.440 1.00 0.00 C ATOM 1069 CE LYS A 66 -0.466 10.428 -9.666 1.00 0.00 C ATOM 1070 NZ LYS A 66 0.941 9.956 -9.679 1.00 0.00 N ATOM 0 H LYS A 66 -5.657 6.972 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.312 9.740 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.508 7.936 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.836 8.092 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.122 10.420 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.968 10.412 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.167 8.746 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.379 8.585 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.693 10.919 -10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.591 11.175 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.577 10.764 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.166 9.510 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.067 9.262 -10.444 1.00 0.00 H new ATOM 1084 N VAL A 67 -7.272 9.749 -10.134 1.00 0.00 N ATOM 1085 CA VAL A 67 -8.023 10.398 -11.200 1.00 0.00 C ATOM 1086 C VAL A 67 -9.091 11.314 -10.616 1.00 0.00 C ATOM 1087 O VAL A 67 -9.974 11.789 -11.324 1.00 0.00 O ATOM 1088 CB VAL A 67 -8.692 9.371 -12.141 1.00 0.00 C ATOM 1089 CG1 VAL A 67 -7.646 8.629 -12.964 1.00 0.00 C ATOM 1090 CG2 VAL A 67 -9.551 8.391 -11.350 1.00 0.00 C ATOM 0 H VAL A 67 -7.853 9.306 -9.422 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.312 10.983 -11.782 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.341 9.914 -12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.140 7.911 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.084 9.343 -13.566 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.965 8.101 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.012 7.678 -12.033 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.927 7.856 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.329 8.937 -10.817 1.00 0.00 H new ATOM 1100 N LYS A 68 -8.998 11.560 -9.317 1.00 0.00 N ATOM 1101 CA LYS A 68 -9.958 12.404 -8.630 1.00 0.00 C ATOM 1102 C LYS A 68 -9.241 13.323 -7.652 1.00 0.00 C ATOM 1103 O LYS A 68 -8.215 12.956 -7.082 1.00 0.00 O ATOM 1104 CB LYS A 68 -10.986 11.546 -7.889 1.00 0.00 C ATOM 1105 CG LYS A 68 -12.095 12.355 -7.240 1.00 0.00 C ATOM 1106 CD LYS A 68 -13.137 11.463 -6.588 1.00 0.00 C ATOM 1107 CE LYS A 68 -14.312 12.276 -6.074 1.00 0.00 C ATOM 1108 NZ LYS A 68 -15.405 11.411 -5.552 1.00 0.00 N ATOM 0 H LYS A 68 -8.263 11.184 -8.718 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.479 13.013 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.427 10.836 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.476 10.963 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.668 13.022 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.573 12.984 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.490 10.725 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.684 10.913 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.971 12.945 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.698 12.902 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.187 12.007 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.749 10.790 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.044 10.831 -4.767 1.00 0.00 H new ATOM 1122 N ASN A 69 -9.778 14.520 -7.472 1.00 0.00 N ATOM 1123 CA ASN A 69 -9.185 15.484 -6.561 1.00 0.00 C ATOM 1124 C ASN A 69 -9.576 15.186 -5.122 1.00 0.00 C ATOM 1125 O ASN A 69 -10.758 15.186 -4.770 1.00 0.00 O ATOM 1126 CB ASN A 69 -9.604 16.912 -6.925 1.00 0.00 C ATOM 1127 CG ASN A 69 -9.123 17.947 -5.917 1.00 0.00 C ATOM 1128 OD1 ASN A 69 -7.959 17.720 -5.323 1.00 0.00 O flip ATOM 1129 ND2 ASN A 69 -9.788 18.956 -5.685 1.00 0.00 N flip ATOM 0 H ASN A 69 -10.622 14.846 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.102 15.400 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.209 17.161 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.691 16.959 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.679 19.100 -6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.448 19.649 -5.018 1.00 0.00 H new ATOM 1136 N MET A 70 -8.567 14.928 -4.307 1.00 0.00 N ATOM 1137 CA MET A 70 -8.743 14.731 -2.881 1.00 0.00 C ATOM 1138 C MET A 70 -7.486 15.195 -2.154 1.00 0.00 C ATOM 1139 O MET A 70 -6.387 14.722 -2.501 1.00 0.00 O ATOM 1140 CB MET A 70 -9.070 13.266 -2.557 1.00 0.00 C ATOM 1141 CG MET A 70 -8.062 12.259 -3.098 1.00 0.00 C ATOM 1142 SD MET A 70 -8.419 10.566 -2.583 1.00 0.00 S ATOM 1143 CE MET A 70 -8.243 10.720 -0.808 1.00 0.00 C ATOM 1144 OXT MET A 70 -7.598 16.067 -1.272 1.00 0.00 O ATOM 0 H MET A 70 -7.599 14.849 -4.619 1.00 0.00 H new ATOM 0 HA MET A 70 -9.591 15.325 -2.539 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.134 13.152 -1.475 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.054 13.029 -2.961 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.054 12.309 -4.187 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.063 12.534 -2.759 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.025 9.742 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.427 11.406 -0.581 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.170 11.105 -0.383 1.00 0.00 H new TER 1154 MET A 70