USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 424 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 16 TYR OH : rot -179:sc= 0 USER MOD Set 1.2: A 42 MET CE :methyl -113:sc= -3.9! (180deg=-7.4!) USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= -0.589 USER MOD Set 2.2: A 33 GLN : amide:sc= -4.25! C(o=-4.8!,f=-14!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 164:sc= -0.0514 (180deg=-0.356) USER MOD Single : A 11 THR OG1 : rot 135:sc= 1.35 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -110:sc= -1.68! (180deg=-3.69!) USER MOD Single : A 22 ASN : amide:sc= -0.728 K(o=-0.73,f=-9.7!) USER MOD Single : A 25 CYS SG : rot 25:sc= 0.28 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.2) USER MOD Single : A 38 ASN : amide:sc= -3.4! C(o=-3.4!,f=-15!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.81) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.809 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.09! C(o=-2.1!,f=-3.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 2.130 5.993 -6.845 1.00 0.00 N ATOM 67 CA SER A 8 2.514 7.156 -6.055 1.00 0.00 C ATOM 68 C SER A 8 3.248 6.733 -4.786 1.00 0.00 C ATOM 69 O SER A 8 2.711 5.993 -3.961 1.00 0.00 O ATOM 70 CB SER A 8 1.279 7.983 -5.691 1.00 0.00 C ATOM 71 OG SER A 8 0.998 8.947 -6.691 1.00 0.00 O ATOM 0 HA SER A 8 3.187 7.766 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.420 7.324 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.440 8.482 -4.735 1.00 0.00 H new ATOM 0 HG SER A 8 0.204 9.461 -6.436 1.00 0.00 H new ATOM 77 N THR A 9 4.481 7.207 -4.636 1.00 0.00 N ATOM 78 CA THR A 9 5.291 6.878 -3.470 1.00 0.00 C ATOM 79 C THR A 9 4.807 7.629 -2.235 1.00 0.00 C ATOM 80 O THR A 9 4.712 8.856 -2.241 1.00 0.00 O ATOM 81 CB THR A 9 6.777 7.206 -3.707 1.00 0.00 C ATOM 82 OG1 THR A 9 7.155 6.834 -5.037 1.00 0.00 O ATOM 83 CG2 THR A 9 7.658 6.481 -2.702 1.00 0.00 C ATOM 0 H THR A 9 4.941 7.821 -5.309 1.00 0.00 H new ATOM 0 HA THR A 9 5.186 5.806 -3.305 1.00 0.00 H new ATOM 0 HB THR A 9 6.914 8.280 -3.578 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.101 7.047 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.703 6.728 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.388 6.789 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.516 5.405 -2.803 1.00 0.00 H new ATOM 91 N MET A 10 4.502 6.884 -1.177 1.00 0.00 N ATOM 92 CA MET A 10 4.030 7.482 0.066 1.00 0.00 C ATOM 93 C MET A 10 4.945 7.112 1.229 1.00 0.00 C ATOM 94 O MET A 10 5.458 5.994 1.298 1.00 0.00 O ATOM 95 CB MET A 10 2.599 7.028 0.364 1.00 0.00 C ATOM 96 CG MET A 10 1.643 7.233 -0.800 1.00 0.00 C ATOM 97 SD MET A 10 -0.087 7.095 -0.310 1.00 0.00 S ATOM 98 CE MET A 10 -0.514 8.820 -0.085 1.00 0.00 C ATOM 0 H MET A 10 4.573 5.867 -1.156 1.00 0.00 H new ATOM 0 HA MET A 10 4.043 8.565 -0.053 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.610 5.972 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.226 7.574 1.231 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.815 8.216 -1.238 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.857 6.497 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.599 8.926 -0.062 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.094 9.179 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.110 9.406 -0.911 1.00 0.00 H new ATOM 108 N THR A 11 5.145 8.056 2.143 1.00 0.00 N ATOM 109 CA THR A 11 6.000 7.830 3.302 1.00 0.00 C ATOM 110 C THR A 11 5.170 7.575 4.555 1.00 0.00 C ATOM 111 O THR A 11 4.260 8.340 4.875 1.00 0.00 O ATOM 112 CB THR A 11 6.934 9.028 3.554 1.00 0.00 C ATOM 113 OG1 THR A 11 7.736 9.276 2.393 1.00 0.00 O ATOM 114 CG2 THR A 11 7.835 8.770 4.752 1.00 0.00 C ATOM 0 H THR A 11 4.726 8.985 2.103 1.00 0.00 H new ATOM 0 HA THR A 11 6.603 6.949 3.083 1.00 0.00 H new ATOM 0 HB THR A 11 6.318 9.902 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.745 10.237 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.485 9.630 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.223 8.610 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.443 7.885 4.566 1.00 0.00 H new ATOM 122 N VAL A 12 5.490 6.496 5.262 1.00 0.00 N ATOM 123 CA VAL A 12 4.775 6.141 6.482 1.00 0.00 C ATOM 124 C VAL A 12 4.885 7.248 7.525 1.00 0.00 C ATOM 125 O VAL A 12 5.979 7.724 7.826 1.00 0.00 O ATOM 126 CB VAL A 12 5.309 4.829 7.085 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.505 4.440 8.316 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.282 3.717 6.047 1.00 0.00 C ATOM 0 H VAL A 12 6.240 5.852 5.011 1.00 0.00 H new ATOM 0 HA VAL A 12 3.729 6.006 6.207 1.00 0.00 H new ATOM 0 HB VAL A 12 6.343 4.985 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.897 3.510 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.581 5.229 9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.460 4.302 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.663 2.797 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.258 3.560 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.906 3.996 5.198 1.00 0.00 H new ATOM 138 N ILE A 13 3.744 7.653 8.072 1.00 0.00 N ATOM 139 CA ILE A 13 3.712 8.703 9.083 1.00 0.00 C ATOM 140 C ILE A 13 3.641 8.112 10.487 1.00 0.00 C ATOM 141 O ILE A 13 4.087 8.728 11.455 1.00 0.00 O ATOM 142 CB ILE A 13 2.515 9.648 8.875 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.205 8.857 8.874 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.672 10.424 7.576 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.029 9.729 8.814 1.00 0.00 C ATOM 0 H ILE A 13 2.829 7.270 7.832 1.00 0.00 H new ATOM 0 HA ILE A 13 4.636 9.272 8.977 1.00 0.00 H new ATOM 0 HB ILE A 13 2.487 10.360 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.201 8.178 8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.161 8.241 9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.818 11.088 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.588 11.014 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.723 9.727 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.919 9.100 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.049 10.391 9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.009 10.326 7.902 1.00 0.00 H new ATOM 157 N LYS A 14 3.079 6.913 10.591 1.00 0.00 N ATOM 158 CA LYS A 14 2.951 6.235 11.876 1.00 0.00 C ATOM 159 C LYS A 14 3.124 4.728 11.716 1.00 0.00 C ATOM 160 O LYS A 14 2.918 4.182 10.632 1.00 0.00 O ATOM 161 CB LYS A 14 1.589 6.539 12.503 1.00 0.00 C ATOM 162 CG LYS A 14 1.302 8.024 12.644 1.00 0.00 C ATOM 163 CD LYS A 14 -0.164 8.282 12.949 1.00 0.00 C ATOM 164 CE LYS A 14 -0.570 9.699 12.572 1.00 0.00 C ATOM 165 NZ LYS A 14 -1.993 9.977 12.912 1.00 0.00 N ATOM 0 H LYS A 14 2.704 6.390 9.800 1.00 0.00 H new ATOM 0 HA LYS A 14 3.738 6.605 12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.808 6.083 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.539 6.073 13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.919 8.441 13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.579 8.538 11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.781 7.568 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.350 8.119 14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.073 10.411 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.416 9.849 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.231 10.952 12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.608 9.314 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.135 9.859 13.936 1.00 0.00 H new ATOM 179 N ASP A 15 3.502 4.062 12.801 1.00 0.00 N ATOM 180 CA ASP A 15 3.699 2.617 12.782 1.00 0.00 C ATOM 181 C ASP A 15 2.414 1.898 12.386 1.00 0.00 C ATOM 182 O ASP A 15 1.332 2.486 12.402 1.00 0.00 O ATOM 183 CB ASP A 15 4.172 2.127 14.152 1.00 0.00 C ATOM 184 CG ASP A 15 3.392 2.754 15.291 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.592 3.958 15.555 1.00 0.00 O ATOM 186 OD2 ASP A 15 2.582 2.040 15.920 1.00 0.00 O ATOM 0 H ASP A 15 3.678 4.500 13.705 1.00 0.00 H new ATOM 0 HA ASP A 15 4.464 2.389 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.073 1.043 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.231 2.356 14.271 1.00 0.00 H new ATOM 191 N TYR A 16 2.540 0.625 12.031 1.00 0.00 N ATOM 192 CA TYR A 16 1.388 -0.174 11.627 1.00 0.00 C ATOM 193 C TYR A 16 1.734 -1.660 11.614 1.00 0.00 C ATOM 194 O TYR A 16 2.719 -2.075 11.004 1.00 0.00 O ATOM 195 CB TYR A 16 0.900 0.260 10.244 1.00 0.00 C ATOM 196 CG TYR A 16 -0.179 -0.634 9.675 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.504 -0.494 10.070 1.00 0.00 C ATOM 198 CD2 TYR A 16 0.126 -1.617 8.742 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.493 -1.309 9.554 1.00 0.00 C ATOM 200 CE2 TYR A 16 -0.856 -2.435 8.219 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.164 -2.277 8.628 1.00 0.00 C ATOM 202 OH TYR A 16 -3.147 -3.090 8.110 1.00 0.00 O ATOM 0 H TYR A 16 3.428 0.123 12.014 1.00 0.00 H new ATOM 0 HA TYR A 16 0.592 -0.011 12.353 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.520 1.280 10.305 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.747 0.276 9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.765 0.265 10.793 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.149 -1.744 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.518 -1.189 9.874 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.601 -3.194 7.494 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.747 -3.728 7.483 1.00 0.00 H new ATOM 212 N TYR A 17 0.915 -2.456 12.293 1.00 0.00 N ATOM 213 CA TYR A 17 1.133 -3.896 12.362 1.00 0.00 C ATOM 214 C TYR A 17 0.142 -4.641 11.473 1.00 0.00 C ATOM 215 O TYR A 17 -1.042 -4.741 11.793 1.00 0.00 O ATOM 216 CB TYR A 17 1.006 -4.384 13.806 1.00 0.00 C ATOM 217 CG TYR A 17 0.056 -3.556 14.643 1.00 0.00 C ATOM 218 CD1 TYR A 17 0.397 -2.274 15.054 1.00 0.00 C ATOM 219 CD2 TYR A 17 -1.183 -4.058 15.022 1.00 0.00 C ATOM 220 CE1 TYR A 17 -0.467 -1.515 15.819 1.00 0.00 C ATOM 221 CE2 TYR A 17 -2.055 -3.305 15.786 1.00 0.00 C ATOM 222 CZ TYR A 17 -1.692 -2.035 16.182 1.00 0.00 C ATOM 223 OH TYR A 17 -2.556 -1.282 16.943 1.00 0.00 O ATOM 0 H TYR A 17 0.095 -2.128 12.803 1.00 0.00 H new ATOM 0 HA TYR A 17 2.141 -4.102 12.003 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.666 -5.420 13.802 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.991 -4.374 14.272 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.355 -1.863 14.770 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.470 -5.053 14.715 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.185 -0.520 16.131 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.015 -3.709 16.071 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.375 -1.793 17.110 1.00 0.00 H new ATOM 233 N ALA A 18 0.636 -5.162 10.355 1.00 0.00 N ATOM 234 CA ALA A 18 -0.205 -5.900 9.420 1.00 0.00 C ATOM 235 C ALA A 18 -1.258 -6.720 10.158 1.00 0.00 C ATOM 236 O ALA A 18 -0.948 -7.430 11.115 1.00 0.00 O ATOM 237 CB ALA A 18 0.649 -6.802 8.542 1.00 0.00 C ATOM 0 H ALA A 18 1.614 -5.087 10.074 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.722 -5.179 8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.008 -7.347 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.359 -6.196 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.192 -7.510 9.168 1.00 0.00 H new ATOM 243 N LEU A 19 -2.503 -6.617 9.707 1.00 0.00 N ATOM 244 CA LEU A 19 -3.604 -7.349 10.325 1.00 0.00 C ATOM 245 C LEU A 19 -3.764 -8.728 9.693 1.00 0.00 C ATOM 246 O LEU A 19 -4.083 -9.702 10.374 1.00 0.00 O ATOM 247 CB LEU A 19 -4.907 -6.559 10.191 1.00 0.00 C ATOM 248 CG LEU A 19 -5.224 -5.590 11.330 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.494 -6.350 12.619 1.00 0.00 C ATOM 250 CD2 LEU A 19 -4.084 -4.600 11.521 1.00 0.00 C ATOM 0 H LEU A 19 -2.776 -6.034 8.916 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.373 -7.479 11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.872 -5.994 9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.731 -7.267 10.104 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.123 -5.032 11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.718 -5.643 13.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.344 -7.018 12.477 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.614 -6.935 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.327 -3.918 12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.169 -5.141 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.939 -4.031 10.603 1.00 0.00 H new ATOM 262 N LYS A 20 -3.538 -8.803 8.386 1.00 0.00 N ATOM 263 CA LYS A 20 -3.653 -10.063 7.660 1.00 0.00 C ATOM 264 C LYS A 20 -2.281 -10.566 7.223 1.00 0.00 C ATOM 265 O LYS A 20 -1.262 -9.935 7.500 1.00 0.00 O ATOM 266 CB LYS A 20 -4.558 -9.890 6.438 1.00 0.00 C ATOM 267 CG LYS A 20 -6.018 -9.664 6.789 1.00 0.00 C ATOM 268 CD LYS A 20 -6.785 -10.974 6.856 1.00 0.00 C ATOM 269 CE LYS A 20 -6.444 -11.756 8.116 1.00 0.00 C ATOM 270 NZ LYS A 20 -5.308 -12.693 7.896 1.00 0.00 N ATOM 0 H LYS A 20 -3.274 -8.006 7.807 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.094 -10.801 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.200 -9.046 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.477 -10.776 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.087 -9.151 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.475 -9.011 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.856 -10.772 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.554 -11.577 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.192 -11.062 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.319 -12.317 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.657 -13.672 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.871 -12.498 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.601 -12.564 8.647 1.00 0.00 H new ATOM 284 N GLU A 21 -2.265 -11.706 6.538 1.00 0.00 N ATOM 285 CA GLU A 21 -1.017 -12.293 6.063 1.00 0.00 C ATOM 286 C GLU A 21 -0.402 -11.440 4.957 1.00 0.00 C ATOM 287 O GLU A 21 0.747 -11.011 5.056 1.00 0.00 O ATOM 288 CB GLU A 21 -1.259 -13.714 5.552 1.00 0.00 C ATOM 289 CG GLU A 21 -1.530 -14.721 6.657 1.00 0.00 C ATOM 290 CD GLU A 21 -1.993 -16.063 6.124 1.00 0.00 C ATOM 291 OE1 GLU A 21 -2.848 -16.077 5.213 1.00 0.00 O ATOM 292 OE2 GLU A 21 -1.500 -17.099 6.617 1.00 0.00 O ATOM 0 H GLU A 21 -3.101 -12.240 6.300 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.320 -12.330 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.105 -13.705 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.389 -14.039 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.623 -14.861 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.288 -14.321 7.330 1.00 0.00 H new ATOM 299 N ASN A 22 -1.175 -11.200 3.903 1.00 0.00 N ATOM 300 CA ASN A 22 -0.707 -10.400 2.777 1.00 0.00 C ATOM 301 C ASN A 22 -0.152 -9.061 3.255 1.00 0.00 C ATOM 302 O ASN A 22 0.915 -8.630 2.820 1.00 0.00 O ATOM 303 CB ASN A 22 -1.845 -10.168 1.781 1.00 0.00 C ATOM 304 CG ASN A 22 -3.078 -9.580 2.439 1.00 0.00 C ATOM 305 OD1 ASN A 22 -3.309 -9.772 3.633 1.00 0.00 O ATOM 306 ND2 ASN A 22 -3.878 -8.860 1.661 1.00 0.00 N ATOM 0 H ASN A 22 -2.129 -11.548 3.805 1.00 0.00 H new ATOM 0 HA ASN A 22 0.094 -10.949 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.503 -9.498 0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.106 -11.113 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.723 -8.440 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.647 -8.727 0.676 1.00 0.00 H new ATOM 313 N GLU A 23 -0.886 -8.409 4.152 1.00 0.00 N ATOM 314 CA GLU A 23 -0.467 -7.119 4.688 1.00 0.00 C ATOM 315 C GLU A 23 0.890 -7.231 5.376 1.00 0.00 C ATOM 316 O GLU A 23 1.255 -8.292 5.884 1.00 0.00 O ATOM 317 CB GLU A 23 -1.510 -6.589 5.674 1.00 0.00 C ATOM 318 CG GLU A 23 -2.903 -6.466 5.079 1.00 0.00 C ATOM 319 CD GLU A 23 -3.996 -6.619 6.118 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.736 -6.322 7.303 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.113 -7.037 5.746 1.00 0.00 O ATOM 0 H GLU A 23 -1.772 -8.752 4.522 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.376 -6.420 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.550 -7.252 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.191 -5.612 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.002 -5.495 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.032 -7.224 4.307 1.00 0.00 H new ATOM 328 N ILE A 24 1.633 -6.129 5.389 1.00 0.00 N ATOM 329 CA ILE A 24 2.949 -6.103 6.016 1.00 0.00 C ATOM 330 C ILE A 24 3.038 -4.995 7.059 1.00 0.00 C ATOM 331 O ILE A 24 2.313 -4.002 6.990 1.00 0.00 O ATOM 332 CB ILE A 24 4.064 -5.902 4.973 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.980 -4.500 4.366 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.970 -6.963 3.886 1.00 0.00 C ATOM 335 CD1 ILE A 24 5.101 -4.192 3.400 1.00 0.00 C ATOM 0 H ILE A 24 1.346 -5.243 4.973 1.00 0.00 H new ATOM 0 HA ILE A 24 3.087 -7.069 6.503 1.00 0.00 H new ATOM 0 HB ILE A 24 5.028 -6.004 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.026 -4.393 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.991 -3.764 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.765 -6.808 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.076 -7.952 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.002 -6.891 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.977 -3.182 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.058 -4.266 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.078 -4.905 2.576 1.00 0.00 H new ATOM 347 N CYS A 25 3.934 -5.170 8.025 1.00 0.00 N ATOM 348 CA CYS A 25 4.120 -4.184 9.083 1.00 0.00 C ATOM 349 C CYS A 25 5.133 -3.123 8.666 1.00 0.00 C ATOM 350 O CYS A 25 6.253 -3.442 8.268 1.00 0.00 O ATOM 351 CB CYS A 25 4.581 -4.869 10.371 1.00 0.00 C ATOM 352 SG CYS A 25 6.205 -5.654 10.248 1.00 0.00 S ATOM 0 H CYS A 25 4.543 -5.985 8.097 1.00 0.00 H new ATOM 0 HA CYS A 25 3.163 -3.695 9.263 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.605 -4.132 11.173 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.845 -5.622 10.653 1.00 0.00 H new ATOM 0 HG CYS A 25 6.900 -5.070 9.318 1.00 0.00 H new ATOM 358 N VAL A 26 4.731 -1.860 8.759 1.00 0.00 N ATOM 359 CA VAL A 26 5.603 -0.751 8.391 1.00 0.00 C ATOM 360 C VAL A 26 5.851 0.172 9.579 1.00 0.00 C ATOM 361 O VAL A 26 5.022 0.272 10.484 1.00 0.00 O ATOM 362 CB VAL A 26 5.008 0.071 7.233 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.859 -0.790 5.988 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.670 0.671 7.638 1.00 0.00 C ATOM 0 H VAL A 26 3.807 -1.579 9.086 1.00 0.00 H new ATOM 0 HA VAL A 26 6.549 -1.187 8.069 1.00 0.00 H new ATOM 0 HB VAL A 26 5.692 0.888 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.437 -0.192 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.836 -1.167 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.197 -1.629 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.264 1.249 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.976 -0.129 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.810 1.324 8.500 1.00 0.00 H new ATOM 374 N SER A 27 6.997 0.845 9.570 1.00 0.00 N ATOM 375 CA SER A 27 7.356 1.758 10.649 1.00 0.00 C ATOM 376 C SER A 27 7.434 3.194 10.142 1.00 0.00 C ATOM 377 O SER A 27 7.870 3.443 9.019 1.00 0.00 O ATOM 378 CB SER A 27 8.695 1.349 11.267 1.00 0.00 C ATOM 379 OG SER A 27 8.554 0.187 12.066 1.00 0.00 O ATOM 0 H SER A 27 7.693 0.775 8.828 1.00 0.00 H new ATOM 0 HA SER A 27 6.580 1.703 11.412 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.423 1.165 10.477 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.084 2.167 11.874 1.00 0.00 H new ATOM 0 HG SER A 27 9.423 -0.055 12.448 1.00 0.00 H new ATOM 385 N GLN A 28 7.009 4.135 10.979 1.00 0.00 N ATOM 386 CA GLN A 28 7.030 5.547 10.616 1.00 0.00 C ATOM 387 C GLN A 28 8.359 5.923 9.971 1.00 0.00 C ATOM 388 O GLN A 28 9.415 5.815 10.593 1.00 0.00 O ATOM 389 CB GLN A 28 6.784 6.416 11.850 1.00 0.00 C ATOM 390 CG GLN A 28 7.064 7.893 11.620 1.00 0.00 C ATOM 391 CD GLN A 28 6.707 8.749 12.819 1.00 0.00 C ATOM 392 OE1 GLN A 28 6.112 8.268 13.784 1.00 0.00 O ATOM 393 NE2 GLN A 28 7.069 10.025 12.764 1.00 0.00 N ATOM 0 H GLN A 28 6.646 3.945 11.913 1.00 0.00 H new ATOM 0 HA GLN A 28 6.234 5.722 9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.748 6.296 12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.411 6.059 12.667 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.120 8.026 11.385 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.499 8.235 10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.561 10.381 11.944 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.856 10.650 13.542 1.00 0.00 H new ATOM 402 N GLY A 29 8.300 6.365 8.718 1.00 0.00 N ATOM 403 CA GLY A 29 9.506 6.751 8.009 1.00 0.00 C ATOM 404 C GLY A 29 9.702 5.964 6.729 1.00 0.00 C ATOM 405 O GLY A 29 10.048 6.530 5.692 1.00 0.00 O ATOM 0 H GLY A 29 7.438 6.463 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.462 7.815 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.369 6.603 8.659 1.00 0.00 H new ATOM 409 N GLU A 30 9.483 4.654 6.801 1.00 0.00 N ATOM 410 CA GLU A 30 9.641 3.789 5.638 1.00 0.00 C ATOM 411 C GLU A 30 8.948 4.387 4.417 1.00 0.00 C ATOM 412 O GLU A 30 8.194 5.354 4.528 1.00 0.00 O ATOM 413 CB GLU A 30 9.075 2.398 5.929 1.00 0.00 C ATOM 414 CG GLU A 30 10.010 1.518 6.743 1.00 0.00 C ATOM 415 CD GLU A 30 11.286 1.178 5.998 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.237 1.066 4.756 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.335 1.025 6.659 1.00 0.00 O ATOM 0 H GLU A 30 9.196 4.170 7.652 1.00 0.00 H new ATOM 0 HA GLU A 30 10.706 3.702 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.131 2.504 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.852 1.901 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.262 2.025 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.494 0.596 7.011 1.00 0.00 H new ATOM 424 N VAL A 31 9.208 3.804 3.251 1.00 0.00 N ATOM 425 CA VAL A 31 8.610 4.277 2.009 1.00 0.00 C ATOM 426 C VAL A 31 8.211 3.111 1.111 1.00 0.00 C ATOM 427 O VAL A 31 8.933 2.120 1.006 1.00 0.00 O ATOM 428 CB VAL A 31 9.573 5.199 1.237 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.907 5.733 -0.022 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.045 6.339 2.126 1.00 0.00 C ATOM 0 H VAL A 31 9.829 3.003 3.141 1.00 0.00 H new ATOM 0 HA VAL A 31 7.719 4.842 2.283 1.00 0.00 H new ATOM 0 HB VAL A 31 10.445 4.617 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.602 6.382 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.624 4.900 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.017 6.300 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.724 6.981 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.186 6.922 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.564 5.933 2.994 1.00 0.00 H new ATOM 440 N VAL A 32 7.057 3.236 0.465 1.00 0.00 N ATOM 441 CA VAL A 32 6.562 2.194 -0.426 1.00 0.00 C ATOM 442 C VAL A 32 5.881 2.794 -1.651 1.00 0.00 C ATOM 443 O VAL A 32 5.757 4.013 -1.768 1.00 0.00 O ATOM 444 CB VAL A 32 5.569 1.264 0.296 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.251 0.546 1.450 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.362 2.050 0.785 1.00 0.00 C ATOM 0 H VAL A 32 6.447 4.050 0.542 1.00 0.00 H new ATOM 0 HA VAL A 32 7.428 1.613 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 32 5.222 0.512 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.533 -0.106 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.080 -0.050 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.629 1.279 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.671 1.377 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.689 2.825 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.860 2.512 -0.065 1.00 0.00 H new ATOM 456 N GLN A 33 5.440 1.930 -2.559 1.00 0.00 N ATOM 457 CA GLN A 33 4.772 2.376 -3.776 1.00 0.00 C ATOM 458 C GLN A 33 3.380 1.763 -3.888 1.00 0.00 C ATOM 459 O GLN A 33 3.214 0.548 -3.769 1.00 0.00 O ATOM 460 CB GLN A 33 5.605 2.009 -5.005 1.00 0.00 C ATOM 461 CG GLN A 33 6.589 3.091 -5.418 1.00 0.00 C ATOM 462 CD GLN A 33 5.903 4.323 -5.975 1.00 0.00 C ATOM 463 OE1 GLN A 33 4.820 4.700 -5.528 1.00 0.00 O ATOM 464 NE2 GLN A 33 6.531 4.957 -6.958 1.00 0.00 N ATOM 0 H GLN A 33 5.533 0.918 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 33 4.669 3.460 -3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.154 1.090 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.935 1.801 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.194 3.375 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.271 2.690 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.428 4.610 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.117 5.792 -7.373 1.00 0.00 H new ATOM 473 N VAL A 34 2.382 2.610 -4.118 1.00 0.00 N ATOM 474 CA VAL A 34 1.004 2.151 -4.247 1.00 0.00 C ATOM 475 C VAL A 34 0.800 1.382 -5.548 1.00 0.00 C ATOM 476 O VAL A 34 1.373 1.728 -6.582 1.00 0.00 O ATOM 477 CB VAL A 34 0.013 3.329 -4.199 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.417 2.831 -4.349 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.180 4.113 -2.906 1.00 0.00 C ATOM 0 H VAL A 34 2.502 3.618 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 34 0.811 1.489 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 34 0.229 3.997 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.103 3.677 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.525 2.317 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.649 2.141 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.528 4.942 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.008 3.457 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.196 4.503 -2.845 1.00 0.00 H new ATOM 489 N LEU A 35 -0.019 0.338 -5.490 1.00 0.00 N ATOM 490 CA LEU A 35 -0.300 -0.480 -6.664 1.00 0.00 C ATOM 491 C LEU A 35 -1.794 -0.494 -6.974 1.00 0.00 C ATOM 492 O LEU A 35 -2.197 -0.454 -8.136 1.00 0.00 O ATOM 493 CB LEU A 35 0.200 -1.909 -6.446 1.00 0.00 C ATOM 494 CG LEU A 35 1.686 -2.057 -6.117 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.008 -3.493 -5.736 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.540 -1.612 -7.296 1.00 0.00 C ATOM 0 H LEU A 35 -0.500 0.038 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 35 0.225 -0.043 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.377 -2.355 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.012 -2.488 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 35 1.915 -1.417 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.070 -3.579 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.423 -3.777 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.763 -4.154 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.595 -1.724 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.307 -2.226 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.330 -0.567 -7.523 1.00 0.00 H new ATOM 508 N ALA A 36 -2.609 -0.549 -5.927 1.00 0.00 N ATOM 509 CA ALA A 36 -4.058 -0.563 -6.087 1.00 0.00 C ATOM 510 C ALA A 36 -4.760 -0.499 -4.734 1.00 0.00 C ATOM 511 O ALA A 36 -4.113 -0.411 -3.691 1.00 0.00 O ATOM 512 CB ALA A 36 -4.492 -1.805 -6.850 1.00 0.00 C ATOM 0 H ALA A 36 -2.291 -0.585 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.345 0.320 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.576 -1.803 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.025 -1.809 -7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.186 -2.695 -6.300 1.00 0.00 H new ATOM 518 N VAL A 37 -6.089 -0.542 -4.760 1.00 0.00 N ATOM 519 CA VAL A 37 -6.879 -0.489 -3.536 1.00 0.00 C ATOM 520 C VAL A 37 -7.897 -1.622 -3.490 1.00 0.00 C ATOM 521 O VAL A 37 -8.559 -1.917 -4.484 1.00 0.00 O ATOM 522 CB VAL A 37 -7.618 0.856 -3.403 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.506 0.858 -2.168 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.625 2.007 -3.357 1.00 0.00 C ATOM 0 H VAL A 37 -6.640 -0.613 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.182 -0.596 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.254 0.989 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.020 1.816 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.241 0.057 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.894 0.702 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.165 2.949 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.962 1.881 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.036 2.016 -4.274 1.00 0.00 H new ATOM 534 N ASN A 38 -8.018 -2.255 -2.327 1.00 0.00 N ATOM 535 CA ASN A 38 -8.956 -3.358 -2.151 1.00 0.00 C ATOM 536 C ASN A 38 -10.267 -2.864 -1.546 1.00 0.00 C ATOM 537 O ASN A 38 -10.386 -1.701 -1.162 1.00 0.00 O ATOM 538 CB ASN A 38 -8.344 -4.438 -1.257 1.00 0.00 C ATOM 539 CG ASN A 38 -8.160 -3.969 0.174 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.731 -2.959 0.586 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.360 -4.703 0.939 1.00 0.00 N ATOM 0 H ASN A 38 -7.478 -2.023 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.166 -3.784 -3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.984 -5.320 -1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.379 -4.739 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.198 -4.437 1.910 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.907 -5.533 0.555 1.00 0.00 H new ATOM 548 N GLN A 39 -11.248 -3.758 -1.464 1.00 0.00 N ATOM 549 CA GLN A 39 -12.550 -3.413 -0.906 1.00 0.00 C ATOM 550 C GLN A 39 -12.458 -3.206 0.603 1.00 0.00 C ATOM 551 O GLN A 39 -13.415 -2.760 1.236 1.00 0.00 O ATOM 552 CB GLN A 39 -13.570 -4.509 -1.221 1.00 0.00 C ATOM 553 CG GLN A 39 -13.811 -4.706 -2.709 1.00 0.00 C ATOM 554 CD GLN A 39 -15.006 -5.594 -2.994 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.260 -6.562 -2.275 1.00 0.00 O ATOM 556 NE2 GLN A 39 -15.748 -5.270 -4.046 1.00 0.00 N ATOM 0 H GLN A 39 -11.166 -4.725 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.877 -2.479 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.226 -5.449 -0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.516 -4.264 -0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.964 -3.735 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.922 -5.144 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.501 -4.460 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.565 -5.831 -4.286 1.00 0.00 H new ATOM 565 N GLN A 40 -11.302 -3.533 1.171 1.00 0.00 N ATOM 566 CA GLN A 40 -11.087 -3.383 2.605 1.00 0.00 C ATOM 567 C GLN A 40 -10.618 -1.971 2.941 1.00 0.00 C ATOM 568 O GLN A 40 -10.253 -1.682 4.079 1.00 0.00 O ATOM 569 CB GLN A 40 -10.060 -4.405 3.097 1.00 0.00 C ATOM 570 CG GLN A 40 -10.259 -4.817 4.547 1.00 0.00 C ATOM 571 CD GLN A 40 -9.729 -6.207 4.837 1.00 0.00 C ATOM 572 OE1 GLN A 40 -10.392 -7.207 4.558 1.00 0.00 O ATOM 573 NE2 GLN A 40 -8.529 -6.279 5.399 1.00 0.00 N ATOM 0 H GLN A 40 -10.500 -3.903 0.660 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.037 -3.560 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.111 -5.292 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.060 -3.988 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.759 -4.099 5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.321 -4.780 4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.014 -5.425 5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.122 -7.188 5.617 1.00 0.00 H new ATOM 582 N ASN A 41 -10.630 -1.096 1.941 1.00 0.00 N ATOM 583 CA ASN A 41 -10.205 0.287 2.130 1.00 0.00 C ATOM 584 C ASN A 41 -8.696 0.368 2.338 1.00 0.00 C ATOM 585 O ASN A 41 -8.195 1.300 2.967 1.00 0.00 O ATOM 586 CB ASN A 41 -10.930 0.906 3.327 1.00 0.00 C ATOM 587 CG ASN A 41 -12.404 0.549 3.357 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.040 0.404 2.314 1.00 0.00 O ATOM 589 ND2 ASN A 41 -12.953 0.407 4.558 1.00 0.00 N ATOM 0 H ASN A 41 -10.929 -1.319 0.992 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.461 0.846 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.458 0.567 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.822 1.990 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.941 0.168 4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.387 0.537 5.396 1.00 0.00 H new ATOM 596 N MET A 42 -7.977 -0.614 1.804 1.00 0.00 N ATOM 597 CA MET A 42 -6.524 -0.652 1.930 1.00 0.00 C ATOM 598 C MET A 42 -5.855 -0.192 0.639 1.00 0.00 C ATOM 599 O MET A 42 -6.526 0.078 -0.357 1.00 0.00 O ATOM 600 CB MET A 42 -6.059 -2.066 2.283 1.00 0.00 C ATOM 601 CG MET A 42 -6.572 -2.557 3.627 1.00 0.00 C ATOM 602 SD MET A 42 -5.816 -4.114 4.133 1.00 0.00 S ATOM 603 CE MET A 42 -4.331 -3.521 4.941 1.00 0.00 C ATOM 0 H MET A 42 -8.376 -1.393 1.280 1.00 0.00 H new ATOM 0 HA MET A 42 -6.235 0.029 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.389 -2.753 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.969 -2.090 2.288 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.376 -1.799 4.385 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.653 -2.683 3.575 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.457 -3.821 4.362 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.364 -2.434 5.011 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.267 -3.947 5.942 1.00 0.00 H new ATOM 613 N CYS A 43 -4.529 -0.104 0.664 1.00 0.00 N ATOM 614 CA CYS A 43 -3.769 0.326 -0.504 1.00 0.00 C ATOM 615 C CYS A 43 -2.559 -0.575 -0.727 1.00 0.00 C ATOM 616 O CYS A 43 -1.537 -0.438 -0.054 1.00 0.00 O ATOM 617 CB CYS A 43 -3.316 1.777 -0.338 1.00 0.00 C ATOM 618 SG CYS A 43 -4.659 2.985 -0.428 1.00 0.00 S ATOM 0 H CYS A 43 -3.959 -0.325 1.480 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.419 0.254 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.812 1.881 0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.582 2.008 -1.110 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.177 4.182 -0.274 1.00 0.00 H new ATOM 624 N LEU A 44 -2.683 -1.499 -1.674 1.00 0.00 N ATOM 625 CA LEU A 44 -1.599 -2.425 -1.985 1.00 0.00 C ATOM 626 C LEU A 44 -0.300 -1.672 -2.256 1.00 0.00 C ATOM 627 O LEU A 44 -0.134 -1.059 -3.310 1.00 0.00 O ATOM 628 CB LEU A 44 -1.967 -3.282 -3.198 1.00 0.00 C ATOM 629 CG LEU A 44 -0.895 -4.260 -3.678 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.531 -5.239 -2.572 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.370 -5.006 -4.917 1.00 0.00 C ATOM 0 H LEU A 44 -3.522 -1.627 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.448 -3.073 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.866 -3.849 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.220 -2.617 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.003 -3.691 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.234 -5.927 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.148 -4.690 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.417 -5.802 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.594 -5.698 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.277 -5.563 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.580 -4.292 -5.714 1.00 0.00 H new ATOM 643 N VAL A 45 0.619 -1.725 -1.297 1.00 0.00 N ATOM 644 CA VAL A 45 1.905 -1.052 -1.432 1.00 0.00 C ATOM 645 C VAL A 45 3.051 -2.057 -1.464 1.00 0.00 C ATOM 646 O VAL A 45 3.028 -3.062 -0.754 1.00 0.00 O ATOM 647 CB VAL A 45 2.141 -0.056 -0.281 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.155 1.099 -0.363 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.038 -0.761 1.063 1.00 0.00 C ATOM 0 H VAL A 45 0.496 -2.227 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 45 1.879 -0.506 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 45 3.148 0.350 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.337 1.792 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.282 1.620 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.137 0.714 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.207 -0.042 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.045 -1.197 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.788 -1.550 1.118 1.00 0.00 H new ATOM 659 N TYR A 46 4.053 -1.777 -2.290 1.00 0.00 N ATOM 660 CA TYR A 46 5.208 -2.658 -2.416 1.00 0.00 C ATOM 661 C TYR A 46 6.355 -2.182 -1.529 1.00 0.00 C ATOM 662 O TYR A 46 6.814 -1.046 -1.647 1.00 0.00 O ATOM 663 CB TYR A 46 5.669 -2.725 -3.873 1.00 0.00 C ATOM 664 CG TYR A 46 6.866 -3.623 -4.089 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.148 -3.195 -3.767 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.714 -4.900 -4.614 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.244 -4.012 -3.964 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.805 -5.725 -4.812 1.00 0.00 C ATOM 669 CZ TYR A 46 9.067 -5.276 -4.486 1.00 0.00 C ATOM 670 OH TYR A 46 10.157 -6.094 -4.682 1.00 0.00 O ATOM 0 H TYR A 46 4.089 -0.947 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 46 4.910 -3.655 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.844 -3.079 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.914 -1.719 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.290 -2.207 -3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.727 -5.254 -4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.234 -3.663 -3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.670 -6.716 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 46 9.860 -6.950 -5.055 1.00 0.00 H new ATOM 680 N GLN A 47 6.812 -3.060 -0.642 1.00 0.00 N ATOM 681 CA GLN A 47 7.905 -2.730 0.265 1.00 0.00 C ATOM 682 C GLN A 47 9.223 -3.311 -0.237 1.00 0.00 C ATOM 683 O GLN A 47 9.454 -4.519 -0.190 1.00 0.00 O ATOM 684 CB GLN A 47 7.605 -3.253 1.670 1.00 0.00 C ATOM 685 CG GLN A 47 8.830 -3.321 2.569 1.00 0.00 C ATOM 686 CD GLN A 47 8.471 -3.464 4.034 1.00 0.00 C ATOM 687 OE1 GLN A 47 8.090 -4.543 4.489 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.592 -2.374 4.783 1.00 0.00 N ATOM 0 H GLN A 47 6.443 -4.004 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 47 7.998 -1.645 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.858 -2.610 2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.166 -4.248 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.451 -4.164 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.427 -2.420 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.911 -1.500 4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.366 -2.410 5.777 1.00 0.00 H new ATOM 697 N PRO A 48 10.109 -2.432 -0.729 1.00 0.00 N ATOM 698 CA PRO A 48 11.419 -2.835 -1.248 1.00 0.00 C ATOM 699 C PRO A 48 12.358 -3.313 -0.146 1.00 0.00 C ATOM 700 O PRO A 48 12.076 -3.142 1.039 1.00 0.00 O ATOM 701 CB PRO A 48 11.956 -1.553 -1.889 1.00 0.00 C ATOM 702 CG PRO A 48 11.263 -0.449 -1.167 1.00 0.00 C ATOM 703 CD PRO A 48 9.900 -0.977 -0.815 1.00 0.00 C ATOM 0 HA PRO A 48 11.342 -3.674 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.038 -1.479 -1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.740 -1.524 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.814 -0.162 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.188 0.440 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.541 -0.566 0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.162 -0.721 -1.575 1.00 0.00 H new ATOM 711 N ALA A 49 13.474 -3.913 -0.545 1.00 0.00 N ATOM 712 CA ALA A 49 14.456 -4.413 0.409 1.00 0.00 C ATOM 713 C ALA A 49 14.979 -3.291 1.298 1.00 0.00 C ATOM 714 O ALA A 49 15.760 -2.448 0.856 1.00 0.00 O ATOM 715 CB ALA A 49 15.606 -5.090 -0.322 1.00 0.00 C ATOM 0 H ALA A 49 13.721 -4.065 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 49 13.964 -5.147 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.332 -5.458 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.223 -5.925 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.088 -4.372 -0.985 1.00 0.00 H new ATOM 787 N ALA A 55 12.626 -7.543 0.540 1.00 0.00 N ATOM 788 CA ALA A 55 11.685 -6.812 -0.300 1.00 0.00 C ATOM 789 C ALA A 55 10.425 -7.632 -0.555 1.00 0.00 C ATOM 790 O ALA A 55 10.485 -8.718 -1.129 1.00 0.00 O ATOM 791 CB ALA A 55 12.343 -6.428 -1.617 1.00 0.00 C ATOM 0 HA ALA A 55 11.394 -5.903 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.630 -5.883 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.210 -5.797 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.662 -7.329 -2.141 1.00 0.00 H new ATOM 797 N ALA A 56 9.284 -7.104 -0.124 1.00 0.00 N ATOM 798 CA ALA A 56 8.009 -7.786 -0.308 1.00 0.00 C ATOM 799 C ALA A 56 6.869 -6.786 -0.465 1.00 0.00 C ATOM 800 O ALA A 56 7.010 -5.612 -0.124 1.00 0.00 O ATOM 801 CB ALA A 56 7.737 -8.720 0.862 1.00 0.00 C ATOM 0 H ALA A 56 9.217 -6.206 0.355 1.00 0.00 H new ATOM 0 HA ALA A 56 8.069 -8.375 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.782 -9.223 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.532 -9.463 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.702 -8.144 1.787 1.00 0.00 H new ATOM 807 N GLU A 57 5.740 -7.259 -0.983 1.00 0.00 N ATOM 808 CA GLU A 57 4.576 -6.404 -1.186 1.00 0.00 C ATOM 809 C GLU A 57 3.514 -6.668 -0.122 1.00 0.00 C ATOM 810 O GLU A 57 3.168 -7.816 0.153 1.00 0.00 O ATOM 811 CB GLU A 57 3.985 -6.632 -2.579 1.00 0.00 C ATOM 812 CG GLU A 57 2.532 -6.205 -2.701 1.00 0.00 C ATOM 813 CD GLU A 57 1.565 -7.326 -2.371 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.345 -8.194 -3.241 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.028 -7.334 -1.243 1.00 0.00 O ATOM 0 H GLU A 57 5.607 -8.229 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 57 4.900 -5.367 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.579 -6.084 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.067 -7.689 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.347 -5.363 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.344 -5.855 -3.716 1.00 0.00 H new ATOM 822 N GLY A 58 3.002 -5.596 0.474 1.00 0.00 N ATOM 823 CA GLY A 58 1.986 -5.732 1.501 1.00 0.00 C ATOM 824 C GLY A 58 0.976 -4.602 1.471 1.00 0.00 C ATOM 825 O GLY A 58 1.326 -3.455 1.192 1.00 0.00 O ATOM 0 H GLY A 58 3.273 -4.635 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.468 -6.682 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.465 -5.761 2.480 1.00 0.00 H new ATOM 829 N TRP A 59 -0.279 -4.926 1.758 1.00 0.00 N ATOM 830 CA TRP A 59 -1.344 -3.928 1.761 1.00 0.00 C ATOM 831 C TRP A 59 -1.284 -3.073 3.022 1.00 0.00 C ATOM 832 O TRP A 59 -0.971 -3.567 4.105 1.00 0.00 O ATOM 833 CB TRP A 59 -2.709 -4.610 1.657 1.00 0.00 C ATOM 834 CG TRP A 59 -2.912 -5.336 0.362 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.353 -6.526 -0.007 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.732 -4.919 -0.736 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.775 -6.873 -1.268 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.622 -5.904 -1.736 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.549 -3.809 -0.970 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.298 -5.811 -2.950 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.218 -3.718 -2.175 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.091 -4.714 -3.153 1.00 0.00 C ATOM 0 H TRP A 59 -0.585 -5.871 1.992 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.203 -3.279 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.819 -5.314 2.481 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.492 -3.860 1.772 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.678 -7.109 0.603 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.502 -7.716 -1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.655 -3.037 -0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.200 -6.577 -3.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.850 -2.864 -2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.629 -4.614 -4.084 1.00 0.00 H new ATOM 853 N VAL A 60 -1.586 -1.787 2.874 1.00 0.00 N ATOM 854 CA VAL A 60 -1.568 -0.862 4.001 1.00 0.00 C ATOM 855 C VAL A 60 -2.683 0.171 3.882 1.00 0.00 C ATOM 856 O VAL A 60 -3.115 0.532 2.787 1.00 0.00 O ATOM 857 CB VAL A 60 -0.216 -0.133 4.108 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.930 -1.133 4.117 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.056 0.862 2.968 1.00 0.00 C ATOM 0 H VAL A 60 -1.846 -1.362 1.984 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.723 -1.457 4.901 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.193 0.419 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.878 -0.600 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.821 -1.803 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.913 -1.714 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.905 1.368 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.099 0.334 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.859 1.598 3.012 1.00 0.00 H new ATOM 869 N PRO A 61 -3.160 0.662 5.035 1.00 0.00 N ATOM 870 CA PRO A 61 -4.230 1.663 5.087 1.00 0.00 C ATOM 871 C PRO A 61 -3.773 3.027 4.583 1.00 0.00 C ATOM 872 O PRO A 61 -2.665 3.471 4.881 1.00 0.00 O ATOM 873 CB PRO A 61 -4.579 1.733 6.576 1.00 0.00 C ATOM 874 CG PRO A 61 -3.339 1.296 7.276 1.00 0.00 C ATOM 875 CD PRO A 61 -2.692 0.278 6.377 1.00 0.00 C ATOM 0 HA PRO A 61 -5.072 1.392 4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.864 2.744 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.420 1.082 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.673 2.140 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.572 0.865 8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.605 0.312 6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.997 -0.736 6.634 1.00 0.00 H new ATOM 883 N GLY A 62 -4.634 3.689 3.816 1.00 0.00 N ATOM 884 CA GLY A 62 -4.300 4.997 3.283 1.00 0.00 C ATOM 885 C GLY A 62 -4.354 6.084 4.337 1.00 0.00 C ATOM 886 O GLY A 62 -4.226 7.268 4.025 1.00 0.00 O ATOM 0 H GLY A 62 -5.557 3.343 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.300 4.965 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.989 5.244 2.476 1.00 0.00 H new ATOM 890 N SER A 63 -4.545 5.682 5.590 1.00 0.00 N ATOM 891 CA SER A 63 -4.621 6.632 6.694 1.00 0.00 C ATOM 892 C SER A 63 -3.228 6.988 7.202 1.00 0.00 C ATOM 893 O SER A 63 -2.930 8.153 7.466 1.00 0.00 O ATOM 894 CB SER A 63 -5.460 6.053 7.835 1.00 0.00 C ATOM 895 OG SER A 63 -6.835 6.021 7.493 1.00 0.00 O ATOM 0 H SER A 63 -4.650 4.706 5.866 1.00 0.00 H new ATOM 0 HA SER A 63 -5.097 7.541 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.117 5.045 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.320 6.653 8.734 1.00 0.00 H new ATOM 0 HG SER A 63 -7.349 5.645 8.238 1.00 0.00 H new ATOM 901 N ILE A 64 -2.377 5.976 7.336 1.00 0.00 N ATOM 902 CA ILE A 64 -1.015 6.181 7.811 1.00 0.00 C ATOM 903 C ILE A 64 -0.070 6.488 6.654 1.00 0.00 C ATOM 904 O ILE A 64 1.150 6.373 6.786 1.00 0.00 O ATOM 905 CB ILE A 64 -0.492 4.949 8.572 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.210 3.802 7.599 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.495 4.517 9.632 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.569 2.662 8.218 1.00 0.00 C ATOM 0 H ILE A 64 -2.607 5.006 7.122 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.043 7.033 8.491 1.00 0.00 H new ATOM 0 HB ILE A 64 0.441 5.216 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.156 3.419 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.345 4.189 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.112 3.645 10.162 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.651 5.332 10.339 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.442 4.264 9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.732 1.885 7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.531 3.030 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.006 2.248 9.054 1.00 0.00 H new ATOM 920 N LEU A 65 -0.640 6.880 5.520 1.00 0.00 N ATOM 921 CA LEU A 65 0.152 7.206 4.338 1.00 0.00 C ATOM 922 C LEU A 65 0.051 8.692 4.009 1.00 0.00 C ATOM 923 O LEU A 65 -0.998 9.309 4.192 1.00 0.00 O ATOM 924 CB LEU A 65 -0.314 6.374 3.142 1.00 0.00 C ATOM 925 CG LEU A 65 -0.006 4.878 3.205 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.434 4.190 1.918 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.476 4.649 3.467 1.00 0.00 C ATOM 0 H LEU A 65 -1.647 6.980 5.393 1.00 0.00 H new ATOM 0 HA LEU A 65 1.194 6.970 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.392 6.499 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.144 6.781 2.241 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.572 4.445 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.207 3.126 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.506 4.324 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.104 4.626 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.677 3.578 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.061 5.097 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.753 5.107 4.416 1.00 0.00 H new ATOM 939 N ALA A 66 1.149 9.260 3.519 1.00 0.00 N ATOM 940 CA ALA A 66 1.183 10.672 3.160 1.00 0.00 C ATOM 941 C ALA A 66 1.912 10.884 1.837 1.00 0.00 C ATOM 942 O ALA A 66 2.756 10.086 1.431 1.00 0.00 O ATOM 943 CB ALA A 66 1.844 11.482 4.265 1.00 0.00 C ATOM 0 H ALA A 66 2.026 8.763 3.362 1.00 0.00 H new ATOM 0 HA ALA A 66 0.156 11.016 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.862 12.535 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.280 11.364 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.864 11.129 4.415 1.00 0.00 H new ATOM 949 N PRO A 67 1.579 11.986 1.148 1.00 0.00 N ATOM 950 CA PRO A 67 2.191 12.329 -0.139 1.00 0.00 C ATOM 951 C PRO A 67 3.652 12.740 0.004 1.00 0.00 C ATOM 952 O PRO A 67 3.955 13.891 0.322 1.00 0.00 O ATOM 953 CB PRO A 67 1.349 13.509 -0.629 1.00 0.00 C ATOM 954 CG PRO A 67 0.793 14.119 0.611 1.00 0.00 C ATOM 955 CD PRO A 67 0.582 12.982 1.573 1.00 0.00 C ATOM 0 HA PRO A 67 2.201 11.481 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.956 14.224 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.555 13.178 -1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.480 14.858 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.145 14.635 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.741 13.294 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.432 12.587 1.512 1.00 0.00 H new ATOM 963 N PHE A 68 4.555 11.794 -0.232 1.00 0.00 N ATOM 964 CA PHE A 68 5.985 12.058 -0.128 1.00 0.00 C ATOM 965 C PHE A 68 6.417 13.117 -1.139 1.00 0.00 C ATOM 966 O PHE A 68 6.435 12.869 -2.344 1.00 0.00 O ATOM 967 CB PHE A 68 6.781 10.771 -0.350 1.00 0.00 C ATOM 968 CG PHE A 68 8.264 10.948 -0.192 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.785 11.585 0.923 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.138 10.478 -1.159 1.00 0.00 C ATOM 971 CE1 PHE A 68 10.149 11.750 1.071 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.503 10.639 -1.016 1.00 0.00 C ATOM 973 CZ PHE A 68 11.009 11.277 0.099 1.00 0.00 C ATOM 0 H PHE A 68 4.321 10.837 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 68 6.188 12.433 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.436 10.014 0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.573 10.393 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.117 11.957 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.748 9.980 -2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.542 12.248 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.174 10.266 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.075 11.406 0.211 1.00 0.00 H new