USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 72 LYS NZ :NH3+ -118:sc= 0.636 (180deg=-0.69) USER MOD Set 1.2: A 78 SER OG : rot 110:sc= 0.733 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -21:sc= 0.116 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc=-0.00249 (180deg=-0.00249) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 41:sc= 0.12 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -5.43! C(o=-5.4!,f=-9.2!) USER MOD Single : A 25 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -1 K(o=-1,f=-0.053) USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.689) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -1.63 USER MOD Single : A 48 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.96) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0197 (180deg=-0.192) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.75) USER MOD Single : A 68 ASN : amide:sc=-0.000729 X(o=-0.00073,f=-0.25) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.565 -19.025 4.039 1.00 0.00 N ATOM 2 CA GLY A 1 -14.484 -19.346 5.115 1.00 0.00 C ATOM 3 C GLY A 1 -15.088 -18.109 5.750 1.00 0.00 C ATOM 4 O GLY A 1 -16.304 -17.922 5.727 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.179 -19.904 3.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.069 -18.498 3.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.787 -18.443 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.283 -19.980 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.959 -19.922 5.877 1.00 0.00 H new ATOM 8 N SER A 2 -14.236 -17.263 6.321 1.00 0.00 N ATOM 9 CA SER A 2 -14.693 -16.039 6.970 1.00 0.00 C ATOM 10 C SER A 2 -15.622 -15.251 6.051 1.00 0.00 C ATOM 11 O SER A 2 -15.662 -15.483 4.843 1.00 0.00 O ATOM 12 CB SER A 2 -13.498 -15.173 7.371 1.00 0.00 C ATOM 13 OG SER A 2 -12.684 -15.836 8.323 1.00 0.00 O ATOM 0 H SER A 2 -13.226 -17.403 6.347 1.00 0.00 H new ATOM 0 HA SER A 2 -15.248 -16.317 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.907 -14.932 6.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.852 -14.229 7.785 1.00 0.00 H new ATOM 0 HG SER A 2 -11.926 -15.262 8.562 1.00 0.00 H new ATOM 19 N SER A 3 -16.368 -14.318 6.634 1.00 0.00 N ATOM 20 CA SER A 3 -17.300 -13.497 5.870 1.00 0.00 C ATOM 21 C SER A 3 -16.630 -12.211 5.398 1.00 0.00 C ATOM 22 O SER A 3 -16.447 -11.272 6.172 1.00 0.00 O ATOM 23 CB SER A 3 -18.531 -13.164 6.715 1.00 0.00 C ATOM 24 OG SER A 3 -19.347 -12.202 6.070 1.00 0.00 O ATOM 0 H SER A 3 -16.345 -14.112 7.633 1.00 0.00 H new ATOM 0 HA SER A 3 -17.613 -14.066 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.107 -14.071 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.217 -12.786 7.688 1.00 0.00 H new ATOM 0 HG SER A 3 -20.128 -12.007 6.629 1.00 0.00 H new ATOM 30 N GLY A 4 -16.265 -12.175 4.119 1.00 0.00 N ATOM 31 CA GLY A 4 -15.619 -11.000 3.565 1.00 0.00 C ATOM 32 C GLY A 4 -14.136 -11.209 3.333 1.00 0.00 C ATOM 33 O GLY A 4 -13.663 -12.344 3.281 1.00 0.00 O ATOM 0 H GLY A 4 -16.405 -12.939 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.098 -10.737 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.763 -10.157 4.241 1.00 0.00 H new ATOM 37 N SER A 5 -13.400 -10.111 3.190 1.00 0.00 N ATOM 38 CA SER A 5 -11.962 -10.180 2.956 1.00 0.00 C ATOM 39 C SER A 5 -11.205 -10.343 4.271 1.00 0.00 C ATOM 40 O SER A 5 -11.794 -10.288 5.350 1.00 0.00 O ATOM 41 CB SER A 5 -11.482 -8.922 2.231 1.00 0.00 C ATOM 42 OG SER A 5 -11.777 -8.988 0.846 1.00 0.00 O ATOM 0 H SER A 5 -13.776 -9.164 3.232 1.00 0.00 H new ATOM 0 HA SER A 5 -11.761 -11.050 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.958 -8.043 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.408 -8.805 2.372 1.00 0.00 H new ATOM 0 HG SER A 5 -11.462 -8.171 0.405 1.00 0.00 H new ATOM 48 N SER A 6 -9.895 -10.543 4.171 1.00 0.00 N ATOM 49 CA SER A 6 -9.056 -10.719 5.351 1.00 0.00 C ATOM 50 C SER A 6 -8.165 -9.500 5.569 1.00 0.00 C ATOM 51 O SER A 6 -6.992 -9.629 5.920 1.00 0.00 O ATOM 52 CB SER A 6 -8.195 -11.975 5.208 1.00 0.00 C ATOM 53 OG SER A 6 -8.982 -13.093 4.837 1.00 0.00 O ATOM 0 H SER A 6 -9.391 -10.587 3.285 1.00 0.00 H new ATOM 0 HA SER A 6 -9.708 -10.831 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.422 -11.806 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.687 -12.181 6.150 1.00 0.00 H new ATOM 0 HG SER A 6 -8.408 -13.883 4.750 1.00 0.00 H new ATOM 59 N GLY A 7 -8.730 -8.315 5.359 1.00 0.00 N ATOM 60 CA GLY A 7 -7.974 -7.089 5.537 1.00 0.00 C ATOM 61 C GLY A 7 -8.421 -5.990 4.594 1.00 0.00 C ATOM 62 O GLY A 7 -8.882 -6.263 3.486 1.00 0.00 O ATOM 0 H GLY A 7 -9.699 -8.182 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.081 -6.746 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.915 -7.292 5.377 1.00 0.00 H new ATOM 66 N ARG A 8 -8.285 -4.743 5.035 1.00 0.00 N ATOM 67 CA ARG A 8 -8.681 -3.599 4.223 1.00 0.00 C ATOM 68 C ARG A 8 -7.716 -3.399 3.058 1.00 0.00 C ATOM 69 O ARG A 8 -6.600 -3.921 3.065 1.00 0.00 O ATOM 70 CB ARG A 8 -8.733 -2.333 5.079 1.00 0.00 C ATOM 71 CG ARG A 8 -9.770 -2.390 6.189 1.00 0.00 C ATOM 72 CD ARG A 8 -11.179 -2.217 5.645 1.00 0.00 C ATOM 73 NE ARG A 8 -12.175 -2.877 6.484 1.00 0.00 N ATOM 74 CZ ARG A 8 -12.216 -4.190 6.682 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.320 -4.979 6.104 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.153 -4.716 7.460 1.00 0.00 N ATOM 0 H ARG A 8 -7.904 -4.500 5.949 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.674 -3.798 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.751 -2.162 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.947 -1.479 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.695 -3.345 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.563 -1.610 6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.412 -1.155 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.230 -2.623 4.635 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.878 -2.298 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.598 -4.578 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.353 -5.987 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.843 -4.112 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.183 -5.724 7.611 1.00 0.00 H new ATOM 90 N LEU A 9 -8.153 -2.640 2.059 1.00 0.00 N ATOM 91 CA LEU A 9 -7.328 -2.371 0.886 1.00 0.00 C ATOM 92 C LEU A 9 -7.045 -0.878 0.750 1.00 0.00 C ATOM 93 O LEU A 9 -7.749 -0.048 1.326 1.00 0.00 O ATOM 94 CB LEU A 9 -8.019 -2.888 -0.378 1.00 0.00 C ATOM 95 CG LEU A 9 -8.130 -4.408 -0.507 1.00 0.00 C ATOM 96 CD1 LEU A 9 -6.750 -5.045 -0.517 1.00 0.00 C ATOM 97 CD2 LEU A 9 -8.976 -4.979 0.622 1.00 0.00 C ATOM 0 H LEU A 9 -9.073 -2.200 2.038 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.379 -2.892 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.023 -2.466 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.479 -2.508 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.620 -4.638 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.849 -6.127 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.178 -4.660 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.232 -4.806 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.044 -6.061 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.515 -4.738 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.976 -4.547 0.582 1.00 0.00 H new ATOM 109 N CYS A 10 -6.013 -0.545 -0.017 1.00 0.00 N ATOM 110 CA CYS A 10 -5.638 0.849 -0.230 1.00 0.00 C ATOM 111 C CYS A 10 -4.702 0.983 -1.427 1.00 0.00 C ATOM 112 O CYS A 10 -3.971 0.052 -1.764 1.00 0.00 O ATOM 113 CB CYS A 10 -4.969 1.416 1.023 1.00 0.00 C ATOM 114 SG CYS A 10 -3.610 0.406 1.655 1.00 0.00 S ATOM 0 H CYS A 10 -5.421 -1.220 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.545 1.417 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.593 2.414 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.720 1.526 1.805 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.731 -0.810 1.213 1.00 0.00 H new ATOM 120 N LYS A 11 -4.731 2.147 -2.066 1.00 0.00 N ATOM 121 CA LYS A 11 -3.886 2.405 -3.226 1.00 0.00 C ATOM 122 C LYS A 11 -2.832 3.461 -2.907 1.00 0.00 C ATOM 123 O LYS A 11 -3.126 4.473 -2.272 1.00 0.00 O ATOM 124 CB LYS A 11 -4.738 2.861 -4.412 1.00 0.00 C ATOM 125 CG LYS A 11 -3.923 3.406 -5.573 1.00 0.00 C ATOM 126 CD LYS A 11 -4.816 3.972 -6.664 1.00 0.00 C ATOM 127 CE LYS A 11 -5.174 5.425 -6.393 1.00 0.00 C ATOM 128 NZ LYS A 11 -4.182 6.362 -6.991 1.00 0.00 N ATOM 0 H LYS A 11 -5.331 2.928 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.378 1.477 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.337 2.021 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.433 3.630 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.250 4.184 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.301 2.612 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.310 3.894 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.728 3.378 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.164 5.637 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.228 5.591 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.462 7.342 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.242 6.177 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.149 6.222 -8.021 1.00 0.00 H new ATOM 142 N ALA A 12 -1.604 3.219 -3.355 1.00 0.00 N ATOM 143 CA ALA A 12 -0.508 4.151 -3.120 1.00 0.00 C ATOM 144 C ALA A 12 -0.596 5.350 -4.059 1.00 0.00 C ATOM 145 O ALA A 12 -0.349 5.230 -5.260 1.00 0.00 O ATOM 146 CB ALA A 12 0.829 3.445 -3.287 1.00 0.00 C ATOM 0 H ALA A 12 -1.344 2.386 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.588 4.517 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.639 4.152 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.899 2.625 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.908 3.051 -4.300 1.00 0.00 H new ATOM 152 N LEU A 13 -0.951 6.504 -3.505 1.00 0.00 N ATOM 153 CA LEU A 13 -1.072 7.725 -4.294 1.00 0.00 C ATOM 154 C LEU A 13 0.299 8.233 -4.726 1.00 0.00 C ATOM 155 O LEU A 13 0.480 8.674 -5.861 1.00 0.00 O ATOM 156 CB LEU A 13 -1.799 8.805 -3.489 1.00 0.00 C ATOM 157 CG LEU A 13 -3.086 8.368 -2.788 1.00 0.00 C ATOM 158 CD1 LEU A 13 -3.533 9.422 -1.788 1.00 0.00 C ATOM 159 CD2 LEU A 13 -4.183 8.097 -3.808 1.00 0.00 C ATOM 0 H LEU A 13 -1.160 6.620 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.651 7.495 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.113 9.192 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.037 9.631 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.886 7.444 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.450 9.094 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.754 9.567 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.716 10.363 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.092 7.787 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.381 9.004 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.863 7.305 -4.485 1.00 0.00 H new ATOM 171 N TYR A 14 1.263 8.167 -3.814 1.00 0.00 N ATOM 172 CA TYR A 14 2.619 8.621 -4.100 1.00 0.00 C ATOM 173 C TYR A 14 3.620 7.482 -3.935 1.00 0.00 C ATOM 174 O TYR A 14 3.548 6.710 -2.978 1.00 0.00 O ATOM 175 CB TYR A 14 2.995 9.784 -3.180 1.00 0.00 C ATOM 176 CG TYR A 14 1.867 10.765 -2.952 1.00 0.00 C ATOM 177 CD1 TYR A 14 0.785 10.434 -2.147 1.00 0.00 C ATOM 178 CD2 TYR A 14 1.885 12.023 -3.542 1.00 0.00 C ATOM 179 CE1 TYR A 14 -0.248 11.327 -1.936 1.00 0.00 C ATOM 180 CE2 TYR A 14 0.857 12.923 -3.336 1.00 0.00 C ATOM 181 CZ TYR A 14 -0.207 12.570 -2.533 1.00 0.00 C ATOM 182 OH TYR A 14 -1.234 13.463 -2.325 1.00 0.00 O ATOM 0 H TYR A 14 1.130 7.803 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 14 2.651 8.961 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.319 9.386 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.846 10.314 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.750 9.462 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.717 12.302 -4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.083 11.054 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.887 13.897 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.051 14.292 -2.815 1.00 0.00 H new ATOM 192 N SER A 15 4.556 7.385 -4.874 1.00 0.00 N ATOM 193 CA SER A 15 5.572 6.339 -4.835 1.00 0.00 C ATOM 194 C SER A 15 6.474 6.503 -3.616 1.00 0.00 C ATOM 195 O SER A 15 7.174 7.506 -3.477 1.00 0.00 O ATOM 196 CB SER A 15 6.413 6.368 -6.113 1.00 0.00 C ATOM 197 OG SER A 15 6.828 7.688 -6.421 1.00 0.00 O ATOM 0 H SER A 15 4.632 8.018 -5.671 1.00 0.00 H new ATOM 0 HA SER A 15 5.065 5.377 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.287 5.728 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.834 5.963 -6.943 1.00 0.00 H new ATOM 0 HG SER A 15 7.099 8.146 -5.598 1.00 0.00 H new ATOM 203 N PHE A 16 6.452 5.510 -2.733 1.00 0.00 N ATOM 204 CA PHE A 16 7.266 5.542 -1.524 1.00 0.00 C ATOM 205 C PHE A 16 8.400 4.525 -1.605 1.00 0.00 C ATOM 206 O PHE A 16 8.293 3.515 -2.300 1.00 0.00 O ATOM 207 CB PHE A 16 6.401 5.263 -0.293 1.00 0.00 C ATOM 208 CG PHE A 16 7.128 5.459 1.007 1.00 0.00 C ATOM 209 CD1 PHE A 16 7.612 6.707 1.364 1.00 0.00 C ATOM 210 CD2 PHE A 16 7.326 4.395 1.872 1.00 0.00 C ATOM 211 CE1 PHE A 16 8.281 6.890 2.559 1.00 0.00 C ATOM 212 CE2 PHE A 16 7.993 4.572 3.069 1.00 0.00 C ATOM 213 CZ PHE A 16 8.472 5.821 3.413 1.00 0.00 C ATOM 0 H PHE A 16 5.879 4.672 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 16 7.701 6.538 -1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.530 5.917 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.032 4.239 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.465 7.546 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.955 3.416 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.654 7.868 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.140 3.735 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.995 5.962 4.348 1.00 0.00 H new ATOM 223 N GLN A 17 9.486 4.799 -0.888 1.00 0.00 N ATOM 224 CA GLN A 17 10.640 3.909 -0.880 1.00 0.00 C ATOM 225 C GLN A 17 10.971 3.461 0.540 1.00 0.00 C ATOM 226 O GLN A 17 10.997 4.270 1.467 1.00 0.00 O ATOM 227 CB GLN A 17 11.852 4.604 -1.503 1.00 0.00 C ATOM 228 CG GLN A 17 12.630 5.467 -0.523 1.00 0.00 C ATOM 229 CD GLN A 17 13.414 6.567 -1.209 1.00 0.00 C ATOM 230 OE1 GLN A 17 13.059 7.743 -1.126 1.00 0.00 O ATOM 231 NE2 GLN A 17 14.489 6.191 -1.893 1.00 0.00 N ATOM 0 H GLN A 17 9.590 5.630 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 17 10.392 3.028 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.519 3.849 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.517 5.225 -2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.938 5.911 0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.315 4.838 0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.747 5.205 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.056 6.888 -2.375 1.00 0.00 H new ATOM 240 N ALA A 18 11.224 2.166 0.703 1.00 0.00 N ATOM 241 CA ALA A 18 11.555 1.611 2.009 1.00 0.00 C ATOM 242 C ALA A 18 13.046 1.743 2.300 1.00 0.00 C ATOM 243 O ALA A 18 13.877 1.152 1.611 1.00 0.00 O ATOM 244 CB ALA A 18 11.128 0.153 2.087 1.00 0.00 C ATOM 0 H ALA A 18 11.206 1.482 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 18 11.012 2.178 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.382 -0.248 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.051 0.080 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.645 -0.419 1.316 1.00 0.00 H new ATOM 250 N ARG A 19 13.378 2.523 3.324 1.00 0.00 N ATOM 251 CA ARG A 19 14.769 2.734 3.704 1.00 0.00 C ATOM 252 C ARG A 19 15.422 1.421 4.130 1.00 0.00 C ATOM 253 O ARG A 19 16.549 1.122 3.737 1.00 0.00 O ATOM 254 CB ARG A 19 14.861 3.753 4.841 1.00 0.00 C ATOM 255 CG ARG A 19 16.220 4.424 4.949 1.00 0.00 C ATOM 256 CD ARG A 19 17.227 3.533 5.659 1.00 0.00 C ATOM 257 NE ARG A 19 18.355 4.294 6.189 1.00 0.00 N ATOM 258 CZ ARG A 19 19.528 3.752 6.497 1.00 0.00 C ATOM 259 NH1 ARG A 19 19.726 2.452 6.328 1.00 0.00 N ATOM 260 NH2 ARG A 19 20.506 4.511 6.975 1.00 0.00 N ATOM 0 H ARG A 19 12.702 3.019 3.905 1.00 0.00 H new ATOM 0 HA ARG A 19 15.302 3.120 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.098 4.518 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.636 3.254 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.587 4.667 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.120 5.365 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.732 3.004 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.594 2.777 4.965 1.00 0.00 H new ATOM 0 HE ARG A 19 18.236 5.297 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.977 1.866 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.628 2.038 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.357 5.512 7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.406 4.094 7.211 1.00 0.00 H new ATOM 274 N GLN A 20 14.705 0.644 4.935 1.00 0.00 N ATOM 275 CA GLN A 20 15.215 -0.635 5.414 1.00 0.00 C ATOM 276 C GLN A 20 14.176 -1.737 5.236 1.00 0.00 C ATOM 277 O GLN A 20 13.103 -1.507 4.677 1.00 0.00 O ATOM 278 CB GLN A 20 15.616 -0.529 6.887 1.00 0.00 C ATOM 279 CG GLN A 20 14.434 -0.374 7.829 1.00 0.00 C ATOM 280 CD GLN A 20 14.723 -0.902 9.221 1.00 0.00 C ATOM 281 OE1 GLN A 20 14.641 -2.105 9.469 1.00 0.00 O ATOM 282 NE2 GLN A 20 15.064 -0.003 10.137 1.00 0.00 N ATOM 0 H GLN A 20 13.770 0.878 5.269 1.00 0.00 H new ATOM 0 HA GLN A 20 16.094 -0.891 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 20 16.179 -1.420 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 20 16.284 0.323 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.162 0.679 7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.574 -0.901 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.119 0.984 9.887 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.270 -0.300 11.091 1.00 0.00 H new ATOM 291 N ASP A 21 14.501 -2.933 5.715 1.00 0.00 N ATOM 292 CA ASP A 21 13.595 -4.071 5.609 1.00 0.00 C ATOM 293 C ASP A 21 12.309 -3.816 6.389 1.00 0.00 C ATOM 294 O ASP A 21 11.220 -4.181 5.947 1.00 0.00 O ATOM 295 CB ASP A 21 14.275 -5.340 6.124 1.00 0.00 C ATOM 296 CG ASP A 21 14.108 -5.521 7.620 1.00 0.00 C ATOM 297 OD1 ASP A 21 14.579 -4.648 8.378 1.00 0.00 O ATOM 298 OD2 ASP A 21 13.507 -6.535 8.032 1.00 0.00 O ATOM 0 H ASP A 21 15.385 -3.140 6.180 1.00 0.00 H new ATOM 0 HA ASP A 21 13.340 -4.205 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.860 -6.206 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.337 -5.303 5.882 1.00 0.00 H new ATOM 303 N ASP A 22 12.443 -3.188 7.552 1.00 0.00 N ATOM 304 CA ASP A 22 11.292 -2.884 8.395 1.00 0.00 C ATOM 305 C ASP A 22 10.252 -2.078 7.623 1.00 0.00 C ATOM 306 O ASP A 22 9.051 -2.223 7.847 1.00 0.00 O ATOM 307 CB ASP A 22 11.733 -2.111 9.639 1.00 0.00 C ATOM 308 CG ASP A 22 12.438 -2.995 10.649 1.00 0.00 C ATOM 309 OD1 ASP A 22 12.149 -4.209 10.679 1.00 0.00 O ATOM 310 OD2 ASP A 22 13.278 -2.472 11.412 1.00 0.00 O ATOM 0 H ASP A 22 13.337 -2.879 7.933 1.00 0.00 H new ATOM 0 HA ASP A 22 10.840 -3.827 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.399 -1.300 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.861 -1.653 10.107 1.00 0.00 H new ATOM 315 N GLU A 23 10.722 -1.230 6.714 1.00 0.00 N ATOM 316 CA GLU A 23 9.832 -0.400 5.911 1.00 0.00 C ATOM 317 C GLU A 23 9.345 -1.158 4.679 1.00 0.00 C ATOM 318 O GLU A 23 9.834 -2.246 4.373 1.00 0.00 O ATOM 319 CB GLU A 23 10.543 0.886 5.484 1.00 0.00 C ATOM 320 CG GLU A 23 10.395 2.023 6.481 1.00 0.00 C ATOM 321 CD GLU A 23 11.475 3.076 6.329 1.00 0.00 C ATOM 322 OE1 GLU A 23 12.561 2.901 6.921 1.00 0.00 O ATOM 323 OE2 GLU A 23 11.235 4.076 5.620 1.00 0.00 O ATOM 0 H GLU A 23 11.714 -1.100 6.515 1.00 0.00 H new ATOM 0 HA GLU A 23 8.968 -0.142 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.603 0.675 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.149 1.206 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.418 2.489 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.426 1.620 7.493 1.00 0.00 H new ATOM 330 N LEU A 24 8.380 -0.576 3.977 1.00 0.00 N ATOM 331 CA LEU A 24 7.826 -1.196 2.778 1.00 0.00 C ATOM 332 C LEU A 24 7.866 -0.230 1.598 1.00 0.00 C ATOM 333 O LEU A 24 7.592 0.960 1.748 1.00 0.00 O ATOM 334 CB LEU A 24 6.387 -1.649 3.033 1.00 0.00 C ATOM 335 CG LEU A 24 5.917 -2.868 2.240 1.00 0.00 C ATOM 336 CD1 LEU A 24 4.710 -3.508 2.909 1.00 0.00 C ATOM 337 CD2 LEU A 24 5.590 -2.478 0.806 1.00 0.00 C ATOM 0 H LEU A 24 7.965 0.324 4.217 1.00 0.00 H new ATOM 0 HA LEU A 24 8.436 -2.065 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.279 -1.868 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.720 -0.816 2.810 1.00 0.00 H new ATOM 0 HG LEU A 24 6.726 -3.599 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.390 -4.374 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.978 -3.824 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.896 -2.785 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.257 -3.358 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.799 -1.728 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.480 -2.067 0.329 1.00 0.00 H new ATOM 349 N ASN A 25 8.206 -0.753 0.424 1.00 0.00 N ATOM 350 CA ASN A 25 8.280 0.063 -0.783 1.00 0.00 C ATOM 351 C ASN A 25 6.910 0.180 -1.444 1.00 0.00 C ATOM 352 O ASN A 25 6.148 -0.786 -1.495 1.00 0.00 O ATOM 353 CB ASN A 25 9.285 -0.537 -1.768 1.00 0.00 C ATOM 354 CG ASN A 25 9.446 0.308 -3.017 1.00 0.00 C ATOM 355 OD1 ASN A 25 8.519 0.435 -3.817 1.00 0.00 O ATOM 356 ND2 ASN A 25 10.626 0.892 -3.188 1.00 0.00 N ATOM 0 H ASN A 25 8.434 -1.737 0.283 1.00 0.00 H new ATOM 0 HA ASN A 25 8.613 1.061 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.252 -0.642 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.960 -1.539 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.793 1.474 -4.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.366 0.759 -2.499 1.00 0.00 H new ATOM 363 N LEU A 26 6.604 1.370 -1.951 1.00 0.00 N ATOM 364 CA LEU A 26 5.327 1.614 -2.611 1.00 0.00 C ATOM 365 C LEU A 26 5.532 2.301 -3.958 1.00 0.00 C ATOM 366 O LEU A 26 6.525 2.998 -4.164 1.00 0.00 O ATOM 367 CB LEU A 26 4.426 2.472 -1.721 1.00 0.00 C ATOM 368 CG LEU A 26 4.353 2.064 -0.249 1.00 0.00 C ATOM 369 CD1 LEU A 26 3.649 3.136 0.568 1.00 0.00 C ATOM 370 CD2 LEU A 26 3.643 0.726 -0.101 1.00 0.00 C ATOM 0 H LEU A 26 7.223 2.180 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 26 4.846 0.651 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.773 3.504 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.417 2.453 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 26 5.370 1.957 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.607 2.828 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.199 4.074 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.636 3.276 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.600 0.451 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.630 0.806 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.189 -0.039 -0.653 1.00 0.00 H new ATOM 382 N GLU A 27 4.585 2.100 -4.869 1.00 0.00 N ATOM 383 CA GLU A 27 4.663 2.701 -6.196 1.00 0.00 C ATOM 384 C GLU A 27 3.323 3.313 -6.594 1.00 0.00 C ATOM 385 O GLU A 27 2.263 2.832 -6.193 1.00 0.00 O ATOM 386 CB GLU A 27 5.087 1.656 -7.230 1.00 0.00 C ATOM 387 CG GLU A 27 4.853 2.092 -8.666 1.00 0.00 C ATOM 388 CD GLU A 27 5.584 1.219 -9.668 1.00 0.00 C ATOM 389 OE1 GLU A 27 6.816 1.372 -9.801 1.00 0.00 O ATOM 390 OE2 GLU A 27 4.923 0.381 -10.317 1.00 0.00 O ATOM 0 H GLU A 27 3.756 1.527 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 27 5.411 3.494 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.145 1.432 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.539 0.732 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.784 2.067 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.178 3.126 -8.785 1.00 0.00 H new ATOM 397 N LYS A 28 3.379 4.378 -7.387 1.00 0.00 N ATOM 398 CA LYS A 28 2.171 5.058 -7.842 1.00 0.00 C ATOM 399 C LYS A 28 1.207 4.073 -8.495 1.00 0.00 C ATOM 400 O LYS A 28 1.450 3.592 -9.601 1.00 0.00 O ATOM 401 CB LYS A 28 2.529 6.170 -8.830 1.00 0.00 C ATOM 402 CG LYS A 28 1.347 7.041 -9.219 1.00 0.00 C ATOM 403 CD LYS A 28 1.785 8.458 -9.552 1.00 0.00 C ATOM 404 CE LYS A 28 2.142 9.240 -8.297 1.00 0.00 C ATOM 405 NZ LYS A 28 2.995 10.422 -8.604 1.00 0.00 N ATOM 0 H LYS A 28 4.248 4.789 -7.728 1.00 0.00 H new ATOM 0 HA LYS A 28 1.681 5.497 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.304 6.799 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.952 5.723 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.839 6.604 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.626 7.064 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.646 8.426 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.986 8.971 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.228 9.570 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.664 8.587 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.217 10.928 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.878 10.106 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.487 11.058 -9.251 1.00 0.00 H new ATOM 419 N GLY A 29 0.109 3.780 -7.805 1.00 0.00 N ATOM 420 CA GLY A 29 -0.876 2.855 -8.335 1.00 0.00 C ATOM 421 C GLY A 29 -0.643 1.431 -7.872 1.00 0.00 C ATOM 422 O GLY A 29 -0.803 0.486 -8.645 1.00 0.00 O ATOM 0 H GLY A 29 -0.116 4.167 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.872 3.175 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.852 2.888 -9.424 1.00 0.00 H new ATOM 426 N ASP A 30 -0.261 1.276 -6.609 1.00 0.00 N ATOM 427 CA ASP A 30 -0.004 -0.044 -6.044 1.00 0.00 C ATOM 428 C ASP A 30 -0.965 -0.341 -4.897 1.00 0.00 C ATOM 429 O ASP A 30 -1.080 0.441 -3.953 1.00 0.00 O ATOM 430 CB ASP A 30 1.441 -0.139 -5.553 1.00 0.00 C ATOM 431 CG ASP A 30 2.391 -0.608 -6.638 1.00 0.00 C ATOM 432 OD1 ASP A 30 2.338 -0.050 -7.754 1.00 0.00 O ATOM 433 OD2 ASP A 30 3.188 -1.532 -6.371 1.00 0.00 O ATOM 0 H ASP A 30 -0.122 2.048 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.163 -0.785 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.763 0.837 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.490 -0.827 -4.709 1.00 0.00 H new ATOM 438 N ILE A 31 -1.653 -1.474 -4.987 1.00 0.00 N ATOM 439 CA ILE A 31 -2.603 -1.874 -3.956 1.00 0.00 C ATOM 440 C ILE A 31 -1.913 -2.656 -2.845 1.00 0.00 C ATOM 441 O ILE A 31 -1.250 -3.662 -3.099 1.00 0.00 O ATOM 442 CB ILE A 31 -3.741 -2.731 -4.542 1.00 0.00 C ATOM 443 CG1 ILE A 31 -4.485 -1.955 -5.631 1.00 0.00 C ATOM 444 CG2 ILE A 31 -4.700 -3.161 -3.442 1.00 0.00 C ATOM 445 CD1 ILE A 31 -4.947 -0.584 -5.188 1.00 0.00 C ATOM 0 H ILE A 31 -1.571 -2.131 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.024 -0.958 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.308 -3.625 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.834 -1.847 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.350 -2.535 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.499 -3.766 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.161 -3.747 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.129 -2.278 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.466 -0.092 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.624 -0.685 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.084 0.014 -4.894 1.00 0.00 H new ATOM 457 N VAL A 32 -2.074 -2.189 -1.611 1.00 0.00 N ATOM 458 CA VAL A 32 -1.469 -2.846 -0.459 1.00 0.00 C ATOM 459 C VAL A 32 -2.533 -3.440 0.457 1.00 0.00 C ATOM 460 O VAL A 32 -3.542 -2.798 0.751 1.00 0.00 O ATOM 461 CB VAL A 32 -0.597 -1.869 0.351 1.00 0.00 C ATOM 462 CG1 VAL A 32 0.189 -2.614 1.419 1.00 0.00 C ATOM 463 CG2 VAL A 32 0.337 -1.099 -0.571 1.00 0.00 C ATOM 0 H VAL A 32 -2.619 -1.357 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.839 -3.647 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.251 -1.153 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.799 -1.907 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.502 -3.115 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.834 -3.354 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.946 -0.413 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.986 -1.798 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.250 -0.533 -1.294 1.00 0.00 H new ATOM 473 N ILE A 33 -2.301 -4.669 0.906 1.00 0.00 N ATOM 474 CA ILE A 33 -3.240 -5.349 1.790 1.00 0.00 C ATOM 475 C ILE A 33 -3.066 -4.888 3.233 1.00 0.00 C ATOM 476 O ILE A 33 -2.175 -5.356 3.942 1.00 0.00 O ATOM 477 CB ILE A 33 -3.066 -6.878 1.727 1.00 0.00 C ATOM 478 CG1 ILE A 33 -3.182 -7.366 0.281 1.00 0.00 C ATOM 479 CG2 ILE A 33 -4.099 -7.565 2.608 1.00 0.00 C ATOM 480 CD1 ILE A 33 -2.687 -8.782 0.081 1.00 0.00 C ATOM 0 H ILE A 33 -1.471 -5.214 0.672 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.242 -5.091 1.446 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.073 -7.132 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.224 -7.306 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.616 -6.697 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.963 -8.645 2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.974 -7.236 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.100 -7.307 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.799 -9.062 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.636 -8.843 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.269 -9.462 0.703 1.00 0.00 H new ATOM 492 N ILE A 34 -3.926 -3.970 3.663 1.00 0.00 N ATOM 493 CA ILE A 34 -3.870 -3.449 5.023 1.00 0.00 C ATOM 494 C ILE A 34 -3.953 -4.575 6.047 1.00 0.00 C ATOM 495 O ILE A 34 -4.890 -5.375 6.033 1.00 0.00 O ATOM 496 CB ILE A 34 -5.007 -2.444 5.288 1.00 0.00 C ATOM 497 CG1 ILE A 34 -4.888 -1.246 4.343 1.00 0.00 C ATOM 498 CG2 ILE A 34 -4.981 -1.986 6.738 1.00 0.00 C ATOM 499 CD1 ILE A 34 -6.126 -0.377 4.311 1.00 0.00 C ATOM 0 H ILE A 34 -4.669 -3.572 3.089 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.913 -2.938 5.126 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.960 -2.938 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.035 -0.638 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.681 -1.607 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.790 -1.276 6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.108 -2.847 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.026 -1.506 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.971 0.452 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.978 -0.970 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.322 0.014 5.309 1.00 0.00 H new ATOM 511 N HIS A 35 -2.968 -4.632 6.938 1.00 0.00 N ATOM 512 CA HIS A 35 -2.931 -5.660 7.973 1.00 0.00 C ATOM 513 C HIS A 35 -3.186 -5.054 9.349 1.00 0.00 C ATOM 514 O HIS A 35 -4.040 -5.529 10.097 1.00 0.00 O ATOM 515 CB HIS A 35 -1.581 -6.377 7.960 1.00 0.00 C ATOM 516 CG HIS A 35 -1.528 -7.539 7.017 1.00 0.00 C ATOM 517 ND1 HIS A 35 -1.842 -8.828 7.392 1.00 0.00 N ATOM 518 CD2 HIS A 35 -1.198 -7.600 5.705 1.00 0.00 C ATOM 519 CE1 HIS A 35 -1.705 -9.632 6.353 1.00 0.00 C ATOM 520 NE2 HIS A 35 -1.315 -8.912 5.317 1.00 0.00 N ATOM 0 H HIS A 35 -2.185 -3.979 6.964 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.719 -6.383 7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.803 -5.664 7.688 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.355 -6.727 8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.899 -6.771 5.080 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.882 -10.697 6.351 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.131 -9.272 4.381 1.00 0.00 H new ATOM 529 N GLU A 36 -2.439 -4.004 9.676 1.00 0.00 N ATOM 530 CA GLU A 36 -2.585 -3.335 10.964 1.00 0.00 C ATOM 531 C GLU A 36 -2.278 -1.845 10.841 1.00 0.00 C ATOM 532 O GLU A 36 -1.337 -1.448 10.155 1.00 0.00 O ATOM 533 CB GLU A 36 -1.659 -3.973 12.002 1.00 0.00 C ATOM 534 CG GLU A 36 -2.148 -5.321 12.507 1.00 0.00 C ATOM 535 CD GLU A 36 -1.085 -6.073 13.283 1.00 0.00 C ATOM 536 OE1 GLU A 36 -0.999 -5.879 14.514 1.00 0.00 O ATOM 537 OE2 GLU A 36 -0.339 -6.858 12.660 1.00 0.00 O ATOM 0 H GLU A 36 -1.728 -3.599 9.068 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.619 -3.450 11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.668 -4.096 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.553 -3.294 12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.020 -5.172 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.471 -5.927 11.660 1.00 0.00 H new ATOM 544 N LYS A 37 -3.081 -1.025 11.511 1.00 0.00 N ATOM 545 CA LYS A 37 -2.898 0.421 11.479 1.00 0.00 C ATOM 546 C LYS A 37 -2.970 1.010 12.884 1.00 0.00 C ATOM 547 O LYS A 37 -3.194 2.208 13.055 1.00 0.00 O ATOM 548 CB LYS A 37 -3.958 1.070 10.586 1.00 0.00 C ATOM 549 CG LYS A 37 -4.101 0.404 9.229 1.00 0.00 C ATOM 550 CD LYS A 37 -5.056 1.171 8.330 1.00 0.00 C ATOM 551 CE LYS A 37 -6.495 0.722 8.534 1.00 0.00 C ATOM 552 NZ LYS A 37 -7.173 1.500 9.607 1.00 0.00 N ATOM 0 H LYS A 37 -3.865 -1.338 12.083 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.910 0.628 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.920 1.041 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.705 2.120 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.124 0.337 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.462 -0.616 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.974 2.238 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.772 1.025 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.046 0.835 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.512 -0.338 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.557 0.847 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.488 2.140 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.949 2.057 9.195 1.00 0.00 H new ATOM 566 N LYS A 38 -2.779 0.160 13.887 1.00 0.00 N ATOM 567 CA LYS A 38 -2.820 0.596 15.278 1.00 0.00 C ATOM 568 C LYS A 38 -1.996 1.864 15.475 1.00 0.00 C ATOM 569 O LYS A 38 -2.244 2.639 16.399 1.00 0.00 O ATOM 570 CB LYS A 38 -2.299 -0.512 16.197 1.00 0.00 C ATOM 571 CG LYS A 38 -0.799 -0.729 16.098 1.00 0.00 C ATOM 572 CD LYS A 38 -0.443 -1.630 14.928 1.00 0.00 C ATOM 573 CE LYS A 38 0.821 -2.430 15.205 1.00 0.00 C ATOM 574 NZ LYS A 38 2.049 -1.675 14.830 1.00 0.00 N ATOM 0 H LYS A 38 -2.594 -0.835 13.763 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.857 0.814 15.534 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.555 -0.268 17.228 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.809 -1.444 15.954 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.298 0.232 15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.432 -1.172 17.024 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.270 -2.312 14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.303 -1.026 14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.863 -2.688 16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.787 -3.367 14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.888 -2.254 15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.022 -1.450 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.095 -0.793 15.379 1.00 0.00 H new ATOM 588 N GLU A 39 -1.016 2.069 14.601 1.00 0.00 N ATOM 589 CA GLU A 39 -0.156 3.245 14.680 1.00 0.00 C ATOM 590 C GLU A 39 -0.861 4.474 14.114 1.00 0.00 C ATOM 591 O GLU A 39 -1.904 4.362 13.471 1.00 0.00 O ATOM 592 CB GLU A 39 1.151 2.999 13.924 1.00 0.00 C ATOM 593 CG GLU A 39 2.330 3.785 14.475 1.00 0.00 C ATOM 594 CD GLU A 39 2.509 3.595 15.969 1.00 0.00 C ATOM 595 OE1 GLU A 39 2.982 2.514 16.377 1.00 0.00 O ATOM 596 OE2 GLU A 39 2.177 4.528 16.730 1.00 0.00 O ATOM 0 H GLU A 39 -0.797 1.437 13.831 1.00 0.00 H new ATOM 0 HA GLU A 39 0.069 3.429 15.730 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.386 1.935 13.959 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.009 3.260 12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.240 3.476 13.961 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.188 4.844 14.261 1.00 0.00 H new ATOM 603 N GLU A 40 -0.283 5.646 14.359 1.00 0.00 N ATOM 604 CA GLU A 40 -0.857 6.896 13.874 1.00 0.00 C ATOM 605 C GLU A 40 -0.198 7.326 12.567 1.00 0.00 C ATOM 606 O GLU A 40 0.877 7.923 12.568 1.00 0.00 O ATOM 607 CB GLU A 40 -0.698 7.996 14.925 1.00 0.00 C ATOM 608 CG GLU A 40 -0.779 7.489 16.355 1.00 0.00 C ATOM 609 CD GLU A 40 -0.428 8.557 17.373 1.00 0.00 C ATOM 610 OE1 GLU A 40 -1.214 9.515 17.524 1.00 0.00 O ATOM 611 OE2 GLU A 40 0.634 8.433 18.019 1.00 0.00 O ATOM 0 H GLU A 40 0.581 5.756 14.890 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.918 6.732 13.688 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.262 8.491 14.778 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.472 8.748 14.771 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.787 7.123 16.550 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.104 6.642 16.475 1.00 0.00 H new ATOM 618 N GLY A 41 -0.853 7.018 11.451 1.00 0.00 N ATOM 619 CA GLY A 41 -0.317 7.379 10.152 1.00 0.00 C ATOM 620 C GLY A 41 0.509 6.267 9.537 1.00 0.00 C ATOM 621 O GLY A 41 0.554 6.122 8.315 1.00 0.00 O ATOM 0 H GLY A 41 -1.745 6.525 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.138 7.631 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.299 8.273 10.252 1.00 0.00 H new ATOM 625 N TRP A 42 1.166 5.482 10.383 1.00 0.00 N ATOM 626 CA TRP A 42 1.997 4.379 9.914 1.00 0.00 C ATOM 627 C TRP A 42 1.178 3.100 9.781 1.00 0.00 C ATOM 628 O TRP A 42 0.809 2.481 10.779 1.00 0.00 O ATOM 629 CB TRP A 42 3.167 4.152 10.872 1.00 0.00 C ATOM 630 CG TRP A 42 4.014 5.371 11.075 1.00 0.00 C ATOM 631 CD1 TRP A 42 3.734 6.439 11.878 1.00 0.00 C ATOM 632 CD2 TRP A 42 5.278 5.649 10.461 1.00 0.00 C ATOM 633 NE1 TRP A 42 4.748 7.364 11.801 1.00 0.00 N ATOM 634 CE2 TRP A 42 5.707 6.902 10.940 1.00 0.00 C ATOM 635 CE3 TRP A 42 6.090 4.959 9.556 1.00 0.00 C ATOM 636 CZ2 TRP A 42 6.910 7.479 10.541 1.00 0.00 C ATOM 637 CZ3 TRP A 42 7.283 5.533 9.162 1.00 0.00 C ATOM 638 CH2 TRP A 42 7.685 6.782 9.654 1.00 0.00 C ATOM 0 H TRP A 42 1.140 5.589 11.397 1.00 0.00 H new ATOM 0 HA TRP A 42 2.387 4.643 8.931 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.779 3.823 11.836 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.791 3.345 10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.846 6.542 12.485 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.781 8.251 12.304 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.790 3.995 9.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.220 8.442 10.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.917 5.010 8.462 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.624 7.203 9.327 1.00 0.00 H new ATOM 649 N TRP A 43 0.896 2.709 8.543 1.00 0.00 N ATOM 650 CA TRP A 43 0.120 1.502 8.280 1.00 0.00 C ATOM 651 C TRP A 43 1.036 0.304 8.058 1.00 0.00 C ATOM 652 O TRP A 43 2.181 0.455 7.631 1.00 0.00 O ATOM 653 CB TRP A 43 -0.779 1.705 7.060 1.00 0.00 C ATOM 654 CG TRP A 43 -1.929 2.631 7.317 1.00 0.00 C ATOM 655 CD1 TRP A 43 -2.121 3.413 8.420 1.00 0.00 C ATOM 656 CD2 TRP A 43 -3.047 2.869 6.454 1.00 0.00 C ATOM 657 NE1 TRP A 43 -3.291 4.123 8.295 1.00 0.00 N ATOM 658 CE2 TRP A 43 -3.877 3.808 7.098 1.00 0.00 C ATOM 659 CE3 TRP A 43 -3.426 2.382 5.200 1.00 0.00 C ATOM 660 CZ2 TRP A 43 -5.063 4.266 6.528 1.00 0.00 C ATOM 661 CZ3 TRP A 43 -4.603 2.838 4.637 1.00 0.00 C ATOM 662 CH2 TRP A 43 -5.409 3.773 5.300 1.00 0.00 C ATOM 0 H TRP A 43 1.193 3.210 7.706 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.503 1.303 9.152 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.181 2.099 6.239 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.165 0.738 6.737 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.452 3.466 9.266 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.663 4.778 8.982 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.810 1.663 4.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.687 4.985 7.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.907 2.467 3.669 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.322 4.111 4.832 1.00 0.00 H new ATOM 673 N PHE A 44 0.526 -0.888 8.352 1.00 0.00 N ATOM 674 CA PHE A 44 1.299 -2.113 8.185 1.00 0.00 C ATOM 675 C PHE A 44 0.558 -3.107 7.295 1.00 0.00 C ATOM 676 O PHE A 44 -0.610 -3.413 7.528 1.00 0.00 O ATOM 677 CB PHE A 44 1.589 -2.747 9.547 1.00 0.00 C ATOM 678 CG PHE A 44 2.339 -4.046 9.456 1.00 0.00 C ATOM 679 CD1 PHE A 44 3.716 -4.057 9.309 1.00 0.00 C ATOM 680 CD2 PHE A 44 1.665 -5.255 9.516 1.00 0.00 C ATOM 681 CE1 PHE A 44 4.409 -5.250 9.225 1.00 0.00 C ATOM 682 CE2 PHE A 44 2.353 -6.451 9.433 1.00 0.00 C ATOM 683 CZ PHE A 44 3.726 -6.449 9.286 1.00 0.00 C ATOM 0 H PHE A 44 -0.419 -1.031 8.707 1.00 0.00 H new ATOM 0 HA PHE A 44 2.242 -1.855 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.165 -2.045 10.150 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.647 -2.916 10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.255 -3.122 9.259 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.591 -5.263 9.629 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.483 -5.245 9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.817 -7.387 9.483 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.265 -7.383 9.219 1.00 0.00 H new ATOM 693 N GLY A 45 1.248 -3.606 6.274 1.00 0.00 N ATOM 694 CA GLY A 45 0.640 -4.560 5.364 1.00 0.00 C ATOM 695 C GLY A 45 1.599 -5.026 4.288 1.00 0.00 C ATOM 696 O GLY A 45 2.783 -4.688 4.312 1.00 0.00 O ATOM 0 H GLY A 45 2.216 -3.367 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.286 -5.422 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.233 -4.106 4.896 1.00 0.00 H new ATOM 700 N SER A 46 1.089 -5.807 3.340 1.00 0.00 N ATOM 701 CA SER A 46 1.910 -6.325 2.253 1.00 0.00 C ATOM 702 C SER A 46 1.471 -5.741 0.914 1.00 0.00 C ATOM 703 O SER A 46 0.280 -5.539 0.671 1.00 0.00 O ATOM 704 CB SER A 46 1.828 -7.852 2.207 1.00 0.00 C ATOM 705 OG SER A 46 3.028 -8.413 1.704 1.00 0.00 O ATOM 0 H SER A 46 0.111 -6.094 3.304 1.00 0.00 H new ATOM 0 HA SER A 46 2.942 -6.029 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.633 -8.239 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.990 -8.155 1.579 1.00 0.00 H new ATOM 0 HG SER A 46 2.950 -9.390 1.686 1.00 0.00 H new ATOM 711 N LEU A 47 2.441 -5.470 0.047 1.00 0.00 N ATOM 712 CA LEU A 47 2.156 -4.908 -1.269 1.00 0.00 C ATOM 713 C LEU A 47 2.078 -6.006 -2.325 1.00 0.00 C ATOM 714 O LEU A 47 0.993 -6.374 -2.773 1.00 0.00 O ATOM 715 CB LEU A 47 3.231 -3.890 -1.654 1.00 0.00 C ATOM 716 CG LEU A 47 3.350 -3.571 -3.145 1.00 0.00 C ATOM 717 CD1 LEU A 47 1.977 -3.317 -3.747 1.00 0.00 C ATOM 718 CD2 LEU A 47 4.260 -2.371 -3.362 1.00 0.00 C ATOM 0 H LEU A 47 3.431 -5.630 0.232 1.00 0.00 H new ATOM 0 HA LEU A 47 1.189 -4.406 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.032 -2.961 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.195 -4.259 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 47 3.791 -4.432 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.081 -3.092 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.356 -4.204 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.508 -2.473 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.333 -2.158 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.848 -1.504 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.252 -2.590 -2.967 1.00 0.00 H new ATOM 730 N ASN A 48 3.236 -6.528 -2.716 1.00 0.00 N ATOM 731 CA ASN A 48 3.299 -7.586 -3.718 1.00 0.00 C ATOM 732 C ASN A 48 3.934 -8.846 -3.139 1.00 0.00 C ATOM 733 O ASN A 48 4.800 -9.460 -3.761 1.00 0.00 O ATOM 734 CB ASN A 48 4.094 -7.115 -4.937 1.00 0.00 C ATOM 735 CG ASN A 48 3.213 -6.458 -5.983 1.00 0.00 C ATOM 736 OD1 ASN A 48 2.092 -6.902 -6.234 1.00 0.00 O ATOM 737 ND2 ASN A 48 3.718 -5.396 -6.599 1.00 0.00 N ATOM 0 H ASN A 48 4.144 -6.236 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 48 2.280 -7.822 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.861 -6.410 -4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.609 -7.966 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.172 -4.913 -7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.652 -5.063 -6.359 1.00 0.00 H new ATOM 744 N GLY A 49 3.496 -9.227 -1.942 1.00 0.00 N ATOM 745 CA GLY A 49 4.031 -10.413 -1.299 1.00 0.00 C ATOM 746 C GLY A 49 5.034 -10.080 -0.213 1.00 0.00 C ATOM 747 O GLY A 49 5.579 -10.974 0.435 1.00 0.00 O ATOM 0 H GLY A 49 2.780 -8.735 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.212 -10.990 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.508 -11.045 -2.048 1.00 0.00 H new ATOM 751 N LYS A 50 5.282 -8.790 -0.013 1.00 0.00 N ATOM 752 CA LYS A 50 6.227 -8.340 1.002 1.00 0.00 C ATOM 753 C LYS A 50 5.546 -7.421 2.010 1.00 0.00 C ATOM 754 O LYS A 50 4.947 -6.411 1.640 1.00 0.00 O ATOM 755 CB LYS A 50 7.403 -7.612 0.346 1.00 0.00 C ATOM 756 CG LYS A 50 8.483 -8.546 -0.174 1.00 0.00 C ATOM 757 CD LYS A 50 9.451 -8.946 0.927 1.00 0.00 C ATOM 758 CE LYS A 50 10.537 -7.899 1.122 1.00 0.00 C ATOM 759 NZ LYS A 50 11.511 -7.894 -0.005 1.00 0.00 N ATOM 0 H LYS A 50 4.841 -8.037 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 50 6.599 -9.218 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.030 -7.006 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.845 -6.927 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.021 -9.439 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.030 -8.058 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.905 -9.084 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.908 -9.904 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.080 -6.914 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.064 -8.092 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.374 -7.392 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.750 -8.873 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.090 -7.414 -0.826 1.00 0.00 H new ATOM 773 N LYS A 51 5.642 -7.777 3.287 1.00 0.00 N ATOM 774 CA LYS A 51 5.037 -6.983 4.350 1.00 0.00 C ATOM 775 C LYS A 51 6.049 -6.007 4.943 1.00 0.00 C ATOM 776 O LYS A 51 7.257 -6.224 4.860 1.00 0.00 O ATOM 777 CB LYS A 51 4.490 -7.897 5.449 1.00 0.00 C ATOM 778 CG LYS A 51 3.035 -8.283 5.250 1.00 0.00 C ATOM 779 CD LYS A 51 2.388 -8.713 6.556 1.00 0.00 C ATOM 780 CE LYS A 51 2.752 -10.146 6.914 1.00 0.00 C ATOM 781 NZ LYS A 51 2.270 -10.518 8.273 1.00 0.00 N ATOM 0 H LYS A 51 6.133 -8.610 3.611 1.00 0.00 H new ATOM 0 HA LYS A 51 4.215 -6.411 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.095 -8.803 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.596 -7.397 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.487 -7.438 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.969 -9.095 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.705 -8.045 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.305 -8.621 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.322 -10.825 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.834 -10.269 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.538 -11.502 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.700 -9.887 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.235 -10.426 8.311 1.00 0.00 H new ATOM 795 N GLY A 52 5.546 -4.932 5.543 1.00 0.00 N ATOM 796 CA GLY A 52 6.420 -3.940 6.142 1.00 0.00 C ATOM 797 C GLY A 52 5.656 -2.755 6.697 1.00 0.00 C ATOM 798 O GLY A 52 4.432 -2.798 6.821 1.00 0.00 O ATOM 0 H GLY A 52 4.549 -4.731 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.997 -4.404 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.134 -3.591 5.396 1.00 0.00 H new ATOM 802 N HIS A 53 6.380 -1.692 7.035 1.00 0.00 N ATOM 803 CA HIS A 53 5.762 -0.489 7.582 1.00 0.00 C ATOM 804 C HIS A 53 5.781 0.644 6.560 1.00 0.00 C ATOM 805 O HIS A 53 6.842 1.163 6.213 1.00 0.00 O ATOM 806 CB HIS A 53 6.486 -0.054 8.857 1.00 0.00 C ATOM 807 CG HIS A 53 6.220 -0.946 10.030 1.00 0.00 C ATOM 808 ND1 HIS A 53 7.099 -1.922 10.448 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.166 -1.003 10.878 1.00 0.00 C ATOM 810 CE1 HIS A 53 6.597 -2.543 11.500 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.425 -2.004 11.782 1.00 0.00 N ATOM 0 H HIS A 53 7.394 -1.639 6.940 1.00 0.00 H new ATOM 0 HA HIS A 53 4.724 -0.720 7.823 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.559 -0.029 8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.184 0.963 9.108 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.286 -0.378 10.849 1.00 0.00 H new ATOM 0 HE1 HIS A 53 7.065 -3.354 12.038 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.812 -2.285 12.547 1.00 0.00 H new ATOM 820 N PHE A 54 4.601 1.022 6.082 1.00 0.00 N ATOM 821 CA PHE A 54 4.482 2.093 5.099 1.00 0.00 C ATOM 822 C PHE A 54 3.594 3.217 5.623 1.00 0.00 C ATOM 823 O PHE A 54 2.709 3.008 6.453 1.00 0.00 O ATOM 824 CB PHE A 54 3.912 1.548 3.787 1.00 0.00 C ATOM 825 CG PHE A 54 2.586 0.862 3.948 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.407 1.589 3.914 1.00 0.00 C ATOM 827 CD2 PHE A 54 2.519 -0.509 4.135 1.00 0.00 C ATOM 828 CE1 PHE A 54 0.184 0.960 4.061 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.299 -1.143 4.283 1.00 0.00 C ATOM 830 CZ PHE A 54 0.131 -0.407 4.247 1.00 0.00 C ATOM 0 H PHE A 54 3.713 0.603 6.359 1.00 0.00 H new ATOM 0 HA PHE A 54 5.478 2.496 4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.803 2.369 3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.625 0.846 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.443 2.659 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.430 -1.089 4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.728 1.537 4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.260 -2.213 4.427 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.823 -0.900 4.364 1.00 0.00 H new ATOM 840 N PRO A 55 3.835 4.441 5.129 1.00 0.00 N ATOM 841 CA PRO A 55 3.069 5.623 5.533 1.00 0.00 C ATOM 842 C PRO A 55 1.635 5.590 5.015 1.00 0.00 C ATOM 843 O PRO A 55 1.360 5.024 3.957 1.00 0.00 O ATOM 844 CB PRO A 55 3.841 6.781 4.896 1.00 0.00 C ATOM 845 CG PRO A 55 4.542 6.173 3.731 1.00 0.00 C ATOM 846 CD PRO A 55 4.874 4.763 4.137 1.00 0.00 C ATOM 0 HA PRO A 55 2.978 5.698 6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.169 7.579 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.549 7.219 5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.908 6.185 2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.445 6.731 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.843 4.082 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.874 4.693 4.565 1.00 0.00 H new ATOM 854 N ALA A 56 0.724 6.199 5.768 1.00 0.00 N ATOM 855 CA ALA A 56 -0.681 6.241 5.383 1.00 0.00 C ATOM 856 C ALA A 56 -0.967 7.434 4.478 1.00 0.00 C ATOM 857 O ALA A 56 -1.834 7.372 3.607 1.00 0.00 O ATOM 858 CB ALA A 56 -1.566 6.289 6.619 1.00 0.00 C ATOM 0 H ALA A 56 0.934 6.670 6.648 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.906 5.333 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.613 6.320 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.390 5.401 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.330 7.180 7.201 1.00 0.00 H new ATOM 864 N ALA A 57 -0.232 8.521 4.690 1.00 0.00 N ATOM 865 CA ALA A 57 -0.407 9.729 3.893 1.00 0.00 C ATOM 866 C ALA A 57 -0.046 9.480 2.433 1.00 0.00 C ATOM 867 O ALA A 57 -0.300 10.319 1.568 1.00 0.00 O ATOM 868 CB ALA A 57 0.435 10.862 4.461 1.00 0.00 C ATOM 0 H ALA A 57 0.490 8.590 5.407 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.458 10.015 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.295 11.758 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.128 11.065 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.487 10.576 4.447 1.00 0.00 H new ATOM 874 N TYR A 58 0.548 8.322 2.165 1.00 0.00 N ATOM 875 CA TYR A 58 0.947 7.964 0.809 1.00 0.00 C ATOM 876 C TYR A 58 -0.096 7.063 0.154 1.00 0.00 C ATOM 877 O TYR A 58 -0.237 7.043 -1.069 1.00 0.00 O ATOM 878 CB TYR A 58 2.307 7.263 0.823 1.00 0.00 C ATOM 879 CG TYR A 58 3.475 8.212 0.965 1.00 0.00 C ATOM 880 CD1 TYR A 58 3.564 9.077 2.049 1.00 0.00 C ATOM 881 CD2 TYR A 58 4.490 8.244 0.017 1.00 0.00 C ATOM 882 CE1 TYR A 58 4.630 9.946 2.183 1.00 0.00 C ATOM 883 CE2 TYR A 58 5.560 9.108 0.144 1.00 0.00 C ATOM 884 CZ TYR A 58 5.625 9.958 1.229 1.00 0.00 C ATOM 885 OH TYR A 58 6.689 10.821 1.358 1.00 0.00 O ATOM 0 H TYR A 58 0.764 7.616 2.869 1.00 0.00 H new ATOM 0 HA TYR A 58 1.025 8.882 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.329 6.547 1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.422 6.693 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.787 9.070 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.442 7.581 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.683 10.613 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.341 9.118 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 58 7.301 10.701 0.602 1.00 0.00 H new ATOM 895 N VAL A 59 -0.824 6.317 0.979 1.00 0.00 N ATOM 896 CA VAL A 59 -1.856 5.414 0.482 1.00 0.00 C ATOM 897 C VAL A 59 -3.245 5.883 0.902 1.00 0.00 C ATOM 898 O VAL A 59 -3.404 6.544 1.927 1.00 0.00 O ATOM 899 CB VAL A 59 -1.636 3.977 0.991 1.00 0.00 C ATOM 900 CG1 VAL A 59 -0.175 3.579 0.852 1.00 0.00 C ATOM 901 CG2 VAL A 59 -2.098 3.846 2.434 1.00 0.00 C ATOM 0 H VAL A 59 -0.719 6.320 1.994 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.787 5.421 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.232 3.299 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.039 2.561 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.118 3.631 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.445 4.259 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.935 2.824 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.531 4.534 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.159 4.086 2.499 1.00 0.00 H new ATOM 911 N GLU A 60 -4.248 5.534 0.101 1.00 0.00 N ATOM 912 CA GLU A 60 -5.624 5.920 0.390 1.00 0.00 C ATOM 913 C GLU A 60 -6.526 4.692 0.478 1.00 0.00 C ATOM 914 O GLU A 60 -6.623 3.912 -0.468 1.00 0.00 O ATOM 915 CB GLU A 60 -6.146 6.874 -0.686 1.00 0.00 C ATOM 916 CG GLU A 60 -7.624 7.198 -0.547 1.00 0.00 C ATOM 917 CD GLU A 60 -8.210 7.801 -1.809 1.00 0.00 C ATOM 918 OE1 GLU A 60 -8.186 7.123 -2.858 1.00 0.00 O ATOM 919 OE2 GLU A 60 -8.693 8.951 -1.747 1.00 0.00 O ATOM 0 H GLU A 60 -4.133 4.986 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.637 6.429 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.574 7.801 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.970 6.433 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.170 6.288 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.764 7.892 0.282 1.00 0.00 H new ATOM 926 N GLU A 61 -7.184 4.529 1.622 1.00 0.00 N ATOM 927 CA GLU A 61 -8.077 3.396 1.834 1.00 0.00 C ATOM 928 C GLU A 61 -9.080 3.273 0.690 1.00 0.00 C ATOM 929 O GLU A 61 -9.610 4.272 0.204 1.00 0.00 O ATOM 930 CB GLU A 61 -8.819 3.545 3.164 1.00 0.00 C ATOM 931 CG GLU A 61 -9.182 2.219 3.810 1.00 0.00 C ATOM 932 CD GLU A 61 -10.231 2.366 4.895 1.00 0.00 C ATOM 933 OE1 GLU A 61 -11.242 3.057 4.654 1.00 0.00 O ATOM 934 OE2 GLU A 61 -10.039 1.789 5.986 1.00 0.00 O ATOM 0 H GLU A 61 -7.115 5.167 2.415 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.472 2.490 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.199 4.118 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.730 4.121 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.549 1.535 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.285 1.769 4.236 1.00 0.00 H new ATOM 941 N LEU A 62 -9.335 2.040 0.266 1.00 0.00 N ATOM 942 CA LEU A 62 -10.274 1.784 -0.821 1.00 0.00 C ATOM 943 C LEU A 62 -11.303 0.734 -0.416 1.00 0.00 C ATOM 944 O LEU A 62 -11.049 -0.126 0.428 1.00 0.00 O ATOM 945 CB LEU A 62 -9.524 1.324 -2.072 1.00 0.00 C ATOM 946 CG LEU A 62 -8.533 2.325 -2.667 1.00 0.00 C ATOM 947 CD1 LEU A 62 -7.708 1.671 -3.765 1.00 0.00 C ATOM 948 CD2 LEU A 62 -9.265 3.546 -3.203 1.00 0.00 C ATOM 0 H LEU A 62 -8.905 1.202 0.658 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.799 2.714 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.984 0.408 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.257 1.070 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.856 2.650 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.008 2.398 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.154 0.829 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.370 1.317 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.544 4.247 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.966 3.238 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.811 4.028 -2.392 1.00 0.00 H new ATOM 960 N PRO A 63 -12.493 0.802 -1.031 1.00 0.00 N ATOM 961 CA PRO A 63 -13.583 -0.138 -0.753 1.00 0.00 C ATOM 962 C PRO A 63 -13.285 -1.541 -1.270 1.00 0.00 C ATOM 963 O PRO A 63 -12.290 -1.761 -1.960 1.00 0.00 O ATOM 964 CB PRO A 63 -14.773 0.467 -1.503 1.00 0.00 C ATOM 965 CG PRO A 63 -14.161 1.272 -2.597 1.00 0.00 C ATOM 966 CD PRO A 63 -12.865 1.800 -2.048 1.00 0.00 C ATOM 0 HA PRO A 63 -13.753 -0.260 0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.427 -0.309 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.380 1.089 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.989 0.660 -3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.819 2.088 -2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.105 1.885 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.988 2.791 -1.612 1.00 0.00 H new ATOM 974 N SER A 64 -14.155 -2.488 -0.932 1.00 0.00 N ATOM 975 CA SER A 64 -13.983 -3.871 -1.360 1.00 0.00 C ATOM 976 C SER A 64 -13.633 -3.942 -2.843 1.00 0.00 C ATOM 977 O SER A 64 -14.194 -3.212 -3.659 1.00 0.00 O ATOM 978 CB SER A 64 -15.256 -4.674 -1.085 1.00 0.00 C ATOM 979 OG SER A 64 -15.280 -5.151 0.249 1.00 0.00 O ATOM 0 H SER A 64 -14.985 -2.322 -0.363 1.00 0.00 H new ATOM 0 HA SER A 64 -13.160 -4.302 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.130 -4.049 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.316 -5.515 -1.776 1.00 0.00 H new ATOM 0 HG SER A 64 -16.104 -5.659 0.400 1.00 0.00 H new ATOM 985 N ASN A 65 -12.702 -4.828 -3.184 1.00 0.00 N ATOM 986 CA ASN A 65 -12.277 -4.994 -4.569 1.00 0.00 C ATOM 987 C ASN A 65 -12.278 -6.468 -4.965 1.00 0.00 C ATOM 988 O ASN A 65 -12.446 -7.347 -4.121 1.00 0.00 O ATOM 989 CB ASN A 65 -10.880 -4.401 -4.770 1.00 0.00 C ATOM 990 CG ASN A 65 -10.918 -2.906 -5.021 1.00 0.00 C ATOM 991 OD1 ASN A 65 -11.976 -2.281 -4.955 1.00 0.00 O ATOM 992 ND2 ASN A 65 -9.759 -2.326 -5.312 1.00 0.00 N ATOM 0 H ASN A 65 -12.228 -5.441 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 65 -12.985 -4.464 -5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.272 -4.603 -3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.396 -4.896 -5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.722 -1.323 -5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.906 -2.884 -5.356 1.00 0.00 H new ATOM 999 N ALA A 66 -12.087 -6.729 -6.254 1.00 0.00 N ATOM 1000 CA ALA A 66 -12.063 -8.095 -6.761 1.00 0.00 C ATOM 1001 C ALA A 66 -11.587 -8.134 -8.209 1.00 0.00 C ATOM 1002 O ALA A 66 -11.871 -7.228 -8.991 1.00 0.00 O ATOM 1003 CB ALA A 66 -13.442 -8.727 -6.639 1.00 0.00 C ATOM 0 H ALA A 66 -11.947 -6.012 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.358 -8.668 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.410 -9.747 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.744 -8.741 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.161 -8.146 -7.216 1.00 0.00 H new ATOM 1009 N GLY A 67 -10.861 -9.191 -8.560 1.00 0.00 N ATOM 1010 CA GLY A 67 -10.356 -9.328 -9.914 1.00 0.00 C ATOM 1011 C GLY A 67 -10.944 -10.526 -10.634 1.00 0.00 C ATOM 1012 O GLY A 67 -11.325 -11.511 -10.003 1.00 0.00 O ATOM 0 H GLY A 67 -10.613 -9.955 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.583 -8.422 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.270 -9.422 -9.886 1.00 0.00 H new ATOM 1016 N ASN A 68 -11.020 -10.440 -11.958 1.00 0.00 N ATOM 1017 CA ASN A 68 -11.569 -11.525 -12.764 1.00 0.00 C ATOM 1018 C ASN A 68 -11.056 -12.877 -12.277 1.00 0.00 C ATOM 1019 O ASN A 68 -9.853 -13.071 -12.102 1.00 0.00 O ATOM 1020 CB ASN A 68 -11.204 -11.329 -14.236 1.00 0.00 C ATOM 1021 CG ASN A 68 -12.158 -12.048 -15.170 1.00 0.00 C ATOM 1022 OD1 ASN A 68 -13.377 -11.920 -15.049 1.00 0.00 O ATOM 1023 ND2 ASN A 68 -11.607 -12.811 -16.107 1.00 0.00 N ATOM 0 H ASN A 68 -10.709 -9.631 -12.495 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.654 -11.509 -12.660 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.206 -10.264 -14.469 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.190 -11.691 -14.407 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.199 -13.320 -16.763 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.592 -12.888 -16.170 1.00 0.00 H new ATOM 1030 N THR A 69 -11.978 -13.810 -12.061 1.00 0.00 N ATOM 1031 CA THR A 69 -11.621 -15.144 -11.594 1.00 0.00 C ATOM 1032 C THR A 69 -10.836 -15.906 -12.655 1.00 0.00 C ATOM 1033 O THR A 69 -11.063 -15.733 -13.852 1.00 0.00 O ATOM 1034 CB THR A 69 -12.871 -15.959 -11.212 1.00 0.00 C ATOM 1035 OG1 THR A 69 -12.482 -17.203 -10.619 1.00 0.00 O ATOM 1036 CG2 THR A 69 -13.738 -16.223 -12.434 1.00 0.00 C ATOM 0 H THR A 69 -12.978 -13.666 -12.202 1.00 0.00 H new ATOM 0 HA THR A 69 -10.998 -15.013 -10.709 1.00 0.00 H new ATOM 0 HB THR A 69 -13.450 -15.380 -10.493 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.282 -17.715 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.615 -16.800 -12.140 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.056 -15.274 -12.866 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.165 -16.784 -13.172 1.00 0.00 H new ATOM 1044 N ALA A 70 -9.911 -16.749 -12.208 1.00 0.00 N ATOM 1045 CA ALA A 70 -9.094 -17.540 -13.120 1.00 0.00 C ATOM 1046 C ALA A 70 -9.964 -18.367 -14.061 1.00 0.00 C ATOM 1047 O ALA A 70 -11.004 -18.892 -13.661 1.00 0.00 O ATOM 1048 CB ALA A 70 -8.153 -18.443 -12.337 1.00 0.00 C ATOM 0 H ALA A 70 -9.709 -16.902 -11.220 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.502 -16.854 -13.725 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.549 -19.028 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.500 -17.834 -11.712 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.735 -19.115 -11.706 1.00 0.00 H new ATOM 1054 N THR A 71 -9.533 -18.479 -15.314 1.00 0.00 N ATOM 1055 CA THR A 71 -10.274 -19.240 -16.311 1.00 0.00 C ATOM 1056 C THR A 71 -10.327 -20.719 -15.946 1.00 0.00 C ATOM 1057 O THR A 71 -9.311 -21.319 -15.593 1.00 0.00 O ATOM 1058 CB THR A 71 -9.648 -19.090 -17.711 1.00 0.00 C ATOM 1059 OG1 THR A 71 -8.287 -19.534 -17.689 1.00 0.00 O ATOM 1060 CG2 THR A 71 -9.707 -17.644 -18.178 1.00 0.00 C ATOM 0 H THR A 71 -8.674 -18.052 -15.662 1.00 0.00 H new ATOM 0 HA THR A 71 -11.287 -18.837 -16.329 1.00 0.00 H new ATOM 0 HB THR A 71 -10.219 -19.704 -18.408 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.897 -19.437 -18.583 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.259 -17.563 -19.168 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.746 -17.318 -18.222 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.158 -17.013 -17.479 1.00 0.00 H new ATOM 1068 N LYS A 72 -11.517 -21.303 -16.035 1.00 0.00 N ATOM 1069 CA LYS A 72 -11.703 -22.714 -15.716 1.00 0.00 C ATOM 1070 C LYS A 72 -12.216 -23.483 -16.929 1.00 0.00 C ATOM 1071 O LYS A 72 -12.752 -22.894 -17.867 1.00 0.00 O ATOM 1072 CB LYS A 72 -12.681 -22.869 -14.549 1.00 0.00 C ATOM 1073 CG LYS A 72 -14.051 -22.272 -14.820 1.00 0.00 C ATOM 1074 CD LYS A 72 -14.977 -23.278 -15.484 1.00 0.00 C ATOM 1075 CE LYS A 72 -16.362 -22.694 -15.715 1.00 0.00 C ATOM 1076 NZ LYS A 72 -17.063 -22.407 -14.433 1.00 0.00 N ATOM 0 H LYS A 72 -12.368 -20.821 -16.326 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.736 -23.127 -15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.795 -23.928 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.256 -22.395 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.493 -21.933 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.947 -21.395 -15.459 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.551 -23.593 -16.436 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.056 -24.168 -14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.277 -21.776 -16.296 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.956 -23.391 -16.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.927 -22.983 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.437 -22.638 -13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.316 -21.399 -14.394 1.00 0.00 H new ATOM 1090 N ALA A 73 -12.048 -24.801 -16.903 1.00 0.00 N ATOM 1091 CA ALA A 73 -12.497 -25.650 -17.999 1.00 0.00 C ATOM 1092 C ALA A 73 -13.520 -26.674 -17.517 1.00 0.00 C ATOM 1093 O ALA A 73 -13.174 -27.817 -17.217 1.00 0.00 O ATOM 1094 CB ALA A 73 -11.311 -26.350 -18.645 1.00 0.00 C ATOM 0 H ALA A 73 -11.604 -25.304 -16.135 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.979 -25.016 -18.743 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.662 -26.981 -19.462 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.617 -25.605 -19.034 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.804 -26.966 -17.903 1.00 0.00 H new ATOM 1100 N SER A 74 -14.779 -26.256 -17.444 1.00 0.00 N ATOM 1101 CA SER A 74 -15.851 -27.136 -16.993 1.00 0.00 C ATOM 1102 C SER A 74 -15.441 -27.891 -15.732 1.00 0.00 C ATOM 1103 O SER A 74 -15.552 -29.114 -15.664 1.00 0.00 O ATOM 1104 CB SER A 74 -16.223 -28.128 -18.097 1.00 0.00 C ATOM 1105 OG SER A 74 -17.025 -27.511 -19.089 1.00 0.00 O ATOM 0 H SER A 74 -15.082 -25.314 -17.691 1.00 0.00 H new ATOM 0 HA SER A 74 -16.719 -26.520 -16.760 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.316 -28.525 -18.553 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.759 -28.973 -17.665 1.00 0.00 H new ATOM 0 HG SER A 74 -17.247 -28.166 -19.784 1.00 0.00 H new ATOM 1111 N GLY A 75 -14.967 -27.150 -14.735 1.00 0.00 N ATOM 1112 CA GLY A 75 -14.547 -27.765 -13.490 1.00 0.00 C ATOM 1113 C GLY A 75 -15.707 -28.016 -12.547 1.00 0.00 C ATOM 1114 O GLY A 75 -16.689 -27.275 -12.526 1.00 0.00 O ATOM 0 H GLY A 75 -14.867 -26.135 -14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.047 -28.709 -13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.816 -27.122 -12.999 1.00 0.00 H new ATOM 1118 N PRO A 76 -15.601 -29.085 -11.744 1.00 0.00 N ATOM 1119 CA PRO A 76 -16.642 -29.457 -10.780 1.00 0.00 C ATOM 1120 C PRO A 76 -16.736 -28.473 -9.620 1.00 0.00 C ATOM 1121 O PRO A 76 -15.721 -28.075 -9.047 1.00 0.00 O ATOM 1122 CB PRO A 76 -16.187 -30.831 -10.281 1.00 0.00 C ATOM 1123 CG PRO A 76 -14.712 -30.839 -10.483 1.00 0.00 C ATOM 1124 CD PRO A 76 -14.458 -30.013 -11.714 1.00 0.00 C ATOM 0 HA PRO A 76 -17.634 -29.459 -11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -16.443 -30.976 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -16.667 -31.634 -10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.197 -30.419 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.341 -31.856 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.509 -29.480 -11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.418 -30.631 -12.611 1.00 0.00 H new ATOM 1132 N SER A 77 -17.960 -28.083 -9.278 1.00 0.00 N ATOM 1133 CA SER A 77 -18.185 -27.142 -8.187 1.00 0.00 C ATOM 1134 C SER A 77 -17.438 -25.835 -8.434 1.00 0.00 C ATOM 1135 O SER A 77 -16.847 -25.263 -7.518 1.00 0.00 O ATOM 1136 CB SER A 77 -17.741 -27.754 -6.857 1.00 0.00 C ATOM 1137 OG SER A 77 -18.491 -28.917 -6.554 1.00 0.00 O ATOM 0 H SER A 77 -18.811 -28.404 -9.740 1.00 0.00 H new ATOM 0 HA SER A 77 -19.252 -26.927 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 77 -16.681 -28.003 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 77 -17.861 -27.022 -6.058 1.00 0.00 H new ATOM 0 HG SER A 77 -18.186 -29.289 -5.700 1.00 0.00 H new ATOM 1143 N SER A 78 -17.470 -25.369 -9.678 1.00 0.00 N ATOM 1144 CA SER A 78 -16.793 -24.132 -10.048 1.00 0.00 C ATOM 1145 C SER A 78 -17.558 -22.918 -9.530 1.00 0.00 C ATOM 1146 O SER A 78 -16.968 -21.979 -8.996 1.00 0.00 O ATOM 1147 CB SER A 78 -16.641 -24.043 -11.568 1.00 0.00 C ATOM 1148 OG SER A 78 -15.728 -23.022 -11.931 1.00 0.00 O ATOM 0 H SER A 78 -17.957 -25.829 -10.447 1.00 0.00 H new ATOM 0 HA SER A 78 -15.803 -24.138 -9.591 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.295 -25.000 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 78 -17.612 -23.845 -12.023 1.00 0.00 H new ATOM 0 HG SER A 78 -14.909 -23.427 -12.287 1.00 0.00 H new ATOM 1154 N GLY A 79 -18.878 -22.945 -9.692 1.00 0.00 N ATOM 1155 CA GLY A 79 -19.704 -21.842 -9.236 1.00 0.00 C ATOM 1156 C GLY A 79 -19.756 -21.743 -7.725 1.00 0.00 C ATOM 1157 O GLY A 79 -20.052 -20.681 -7.176 1.00 0.00 O ATOM 0 H GLY A 79 -19.390 -23.711 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -19.317 -20.909 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.715 -21.965 -9.624 1.00 0.00 H new TER 1161 GLY A 79