USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 5 TYR OH : rot 180:sc= -0.178 USER MOD Set 1.2: A 37 GLN : amide:sc= 0 X(o=-0.18,f=-0.18) USER MOD Single : A 1 VAL N :NH3+ 159:sc= -0.191 (180deg=-0.53) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.5 K(o=-2.5,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -71:sc= 0.825 USER MOD Single : A 29 ASN : amide:sc= -2.34! C(o=-2.3!,f=-4.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.801 -0.896 -0.043 1.00 62.01 N ATOM 2 CA VAL A 1 2.317 -0.711 -1.394 1.00 73.54 C ATOM 3 C VAL A 1 3.187 0.537 -1.485 1.00 12.11 C ATOM 4 O VAL A 1 2.929 1.536 -0.813 1.00 21.23 O ATOM 5 CB VAL A 1 1.174 -0.603 -2.421 1.00 52.22 C ATOM 6 CG1 VAL A 1 0.585 -1.975 -2.712 1.00 14.33 C ATOM 7 CG2 VAL A 1 0.100 0.353 -1.924 1.00 2.15 C ATOM 0 H1 VAL A 1 0.960 -1.507 -0.073 1.00 62.01 H new ATOM 0 H2 VAL A 1 2.531 -1.340 0.550 1.00 62.01 H new ATOM 0 H3 VAL A 1 1.543 0.028 0.360 1.00 62.01 H new ATOM 0 HA VAL A 1 2.921 -1.588 -1.624 1.00 73.54 H new ATOM 0 HB VAL A 1 1.581 -0.205 -3.350 1.00 52.22 H new ATOM 0 HG11 VAL A 1 -0.221 -1.878 -3.440 1.00 14.33 H new ATOM 0 HG12 VAL A 1 1.361 -2.626 -3.115 1.00 14.33 H new ATOM 0 HG13 VAL A 1 0.192 -2.405 -1.791 1.00 14.33 H new ATOM 0 HG21 VAL A 1 -0.700 0.417 -2.662 1.00 2.15 H new ATOM 0 HG22 VAL A 1 -0.305 -0.014 -0.981 1.00 2.15 H new ATOM 0 HG23 VAL A 1 0.534 1.341 -1.773 1.00 2.15 H new ATOM 17 N ARG A 2 4.218 0.474 -2.321 1.00 22.44 N ATOM 18 CA ARG A 2 5.128 1.599 -2.499 1.00 14.11 C ATOM 19 C ARG A 2 5.468 1.795 -3.973 1.00 61.34 C ATOM 20 O ARG A 2 5.526 0.833 -4.740 1.00 43.32 O ATOM 21 CB ARG A 2 6.409 1.379 -1.693 1.00 43.23 C ATOM 22 CG ARG A 2 6.227 0.457 -0.499 1.00 2.44 C ATOM 23 CD ARG A 2 6.384 -1.003 -0.893 1.00 2.14 C ATOM 24 NE ARG A 2 7.403 -1.679 -0.093 1.00 75.14 N ATOM 25 CZ ARG A 2 8.704 -1.609 -0.349 1.00 41.53 C ATOM 26 NH1 ARG A 2 9.143 -0.895 -1.377 1.00 24.30 N ATOM 27 NH2 ARG A 2 9.569 -2.252 0.424 1.00 3.11 N ATOM 0 H ARG A 2 4.444 -0.345 -2.886 1.00 22.44 H new ATOM 0 HA ARG A 2 4.630 2.498 -2.137 1.00 14.11 H new ATOM 0 HB2 ARG A 2 7.174 0.963 -2.349 1.00 43.23 H new ATOM 0 HB3 ARG A 2 6.778 2.343 -1.344 1.00 43.23 H new ATOM 0 HG2 ARG A 2 6.957 0.708 0.270 1.00 2.44 H new ATOM 0 HG3 ARG A 2 5.240 0.613 -0.064 1.00 2.44 H new ATOM 0 HD2 ARG A 2 5.430 -1.516 -0.773 1.00 2.14 H new ATOM 0 HD3 ARG A 2 6.650 -1.067 -1.948 1.00 2.14 H new ATOM 0 HE ARG A 2 7.098 -2.235 0.706 1.00 75.14 H new ATOM 0 HH11 ARG A 2 8.481 -0.398 -1.973 1.00 24.30 H new ATOM 0 HH12 ARG A 2 10.143 -0.843 -1.572 1.00 24.30 H new ATOM 0 HH21 ARG A 2 9.235 -2.801 1.216 1.00 3.11 H new ATOM 0 HH22 ARG A 2 10.568 -2.197 0.226 1.00 3.11 H new ATOM 41 N ASP A 3 5.691 3.045 -4.363 1.00 23.03 N ATOM 42 CA ASP A 3 6.027 3.367 -5.745 1.00 15.11 C ATOM 43 C ASP A 3 7.529 3.581 -5.904 1.00 74.53 C ATOM 44 O ASP A 3 8.167 4.216 -5.066 1.00 44.13 O ATOM 45 CB ASP A 3 5.270 4.617 -6.197 1.00 44.25 C ATOM 46 CG ASP A 3 4.056 4.903 -5.336 1.00 21.10 C ATOM 47 OD1 ASP A 3 3.234 3.982 -5.144 1.00 42.12 O ATOM 48 OD2 ASP A 3 3.928 6.047 -4.853 1.00 0.03 O ATOM 0 H ASP A 3 5.645 3.852 -3.741 1.00 23.03 H new ATOM 0 HA ASP A 3 5.731 2.525 -6.371 1.00 15.11 H new ATOM 0 HB2 ASP A 3 5.942 5.475 -6.169 1.00 44.25 H new ATOM 0 HB3 ASP A 3 4.955 4.493 -7.233 1.00 44.25 H new ATOM 53 N ALA A 4 8.086 3.044 -6.985 1.00 30.12 N ATOM 54 CA ALA A 4 9.512 3.176 -7.254 1.00 43.44 C ATOM 55 C ALA A 4 9.898 2.452 -8.540 1.00 32.35 C ATOM 56 O ALA A 4 9.041 1.911 -9.240 1.00 3.51 O ATOM 57 CB ALA A 4 10.323 2.643 -6.082 1.00 53.41 C ATOM 0 H ALA A 4 7.571 2.514 -7.688 1.00 30.12 H new ATOM 0 HA ALA A 4 9.735 4.235 -7.383 1.00 43.44 H new ATOM 0 HB1 ALA A 4 11.386 2.748 -6.298 1.00 53.41 H new ATOM 0 HB2 ALA A 4 10.077 3.208 -5.183 1.00 53.41 H new ATOM 0 HB3 ALA A 4 10.087 1.590 -5.925 1.00 53.41 H new ATOM 63 N TYR A 5 11.191 2.444 -8.844 1.00 13.51 N ATOM 64 CA TYR A 5 11.689 1.789 -10.047 1.00 60.41 C ATOM 65 C TYR A 5 11.763 0.277 -9.853 1.00 12.22 C ATOM 66 O TYR A 5 12.674 -0.232 -9.200 1.00 64.02 O ATOM 67 CB TYR A 5 13.069 2.334 -10.416 1.00 44.53 C ATOM 68 CG TYR A 5 13.026 3.454 -11.431 1.00 51.43 C ATOM 69 CD1 TYR A 5 12.590 3.225 -12.730 1.00 63.14 C ATOM 70 CD2 TYR A 5 13.420 4.743 -11.090 1.00 72.44 C ATOM 71 CE1 TYR A 5 12.550 4.245 -13.661 1.00 32.00 C ATOM 72 CE2 TYR A 5 13.381 5.769 -12.014 1.00 42.31 C ATOM 73 CZ TYR A 5 12.946 5.515 -13.298 1.00 40.30 C ATOM 74 OH TYR A 5 12.906 6.535 -14.222 1.00 32.43 O ATOM 0 H TYR A 5 11.913 2.884 -8.274 1.00 13.51 H new ATOM 0 HA TYR A 5 10.993 2.000 -10.859 1.00 60.41 H new ATOM 0 HB2 TYR A 5 13.562 2.692 -9.513 1.00 44.53 H new ATOM 0 HB3 TYR A 5 13.678 1.521 -10.810 1.00 44.53 H new ATOM 0 HD1 TYR A 5 12.277 2.232 -13.017 1.00 63.14 H new ATOM 0 HD2 TYR A 5 13.762 4.945 -10.086 1.00 72.44 H new ATOM 0 HE1 TYR A 5 12.211 4.049 -14.667 1.00 32.00 H new ATOM 0 HE2 TYR A 5 13.690 6.765 -11.733 1.00 42.31 H new ATOM 0 HH TYR A 5 13.217 7.366 -13.806 1.00 32.43 H new ATOM 84 N ILE A 6 10.797 -0.434 -10.425 1.00 11.14 N ATOM 85 CA ILE A 6 10.752 -1.887 -10.317 1.00 5.24 C ATOM 86 C ILE A 6 11.992 -2.522 -10.937 1.00 72.43 C ATOM 87 O ILE A 6 12.541 -2.012 -11.913 1.00 72.34 O ATOM 88 CB ILE A 6 9.498 -2.464 -10.998 1.00 15.12 C ATOM 89 CG1 ILE A 6 9.536 -3.993 -10.975 1.00 72.30 C ATOM 90 CG2 ILE A 6 9.388 -1.953 -12.427 1.00 10.45 C ATOM 91 CD1 ILE A 6 8.193 -4.635 -11.246 1.00 64.54 C ATOM 0 H ILE A 6 10.035 -0.027 -10.968 1.00 11.14 H new ATOM 0 HA ILE A 6 10.718 -2.124 -9.254 1.00 5.24 H new ATOM 0 HB ILE A 6 8.618 -2.133 -10.446 1.00 15.12 H new ATOM 0 HG12 ILE A 6 10.253 -4.342 -11.718 1.00 72.30 H new ATOM 0 HG13 ILE A 6 9.899 -4.325 -10.002 1.00 72.30 H new ATOM 0 HG21 ILE A 6 8.496 -2.370 -12.895 1.00 10.45 H new ATOM 0 HG22 ILE A 6 9.319 -0.865 -12.420 1.00 10.45 H new ATOM 0 HG23 ILE A 6 10.270 -2.257 -12.991 1.00 10.45 H new ATOM 0 HD11 ILE A 6 8.295 -5.720 -11.214 1.00 64.54 H new ATOM 0 HD12 ILE A 6 7.477 -4.316 -10.488 1.00 64.54 H new ATOM 0 HD13 ILE A 6 7.837 -4.333 -12.231 1.00 64.54 H new ATOM 103 N ALA A 7 12.426 -3.640 -10.365 1.00 24.40 N ATOM 104 CA ALA A 7 13.599 -4.348 -10.864 1.00 74.53 C ATOM 105 C ALA A 7 13.507 -5.841 -10.565 1.00 40.03 C ATOM 106 O ALA A 7 12.615 -6.287 -9.844 1.00 14.12 O ATOM 107 CB ALA A 7 14.866 -3.764 -10.259 1.00 10.33 C ATOM 0 H ALA A 7 11.983 -4.075 -9.556 1.00 24.40 H new ATOM 0 HA ALA A 7 13.635 -4.222 -11.946 1.00 74.53 H new ATOM 0 HB1 ALA A 7 15.733 -4.303 -10.641 1.00 10.33 H new ATOM 0 HB2 ALA A 7 14.946 -2.711 -10.528 1.00 10.33 H new ATOM 0 HB3 ALA A 7 14.828 -3.859 -9.174 1.00 10.33 H new ATOM 113 N LYS A 8 14.435 -6.610 -11.125 1.00 41.30 N ATOM 114 CA LYS A 8 14.460 -8.053 -10.919 1.00 3.14 C ATOM 115 C LYS A 8 15.736 -8.477 -10.198 1.00 63.25 C ATOM 116 O LYS A 8 16.818 -7.938 -10.432 1.00 1.22 O ATOM 117 CB LYS A 8 14.352 -8.783 -12.259 1.00 50.44 C ATOM 118 CG LYS A 8 15.468 -8.439 -13.231 1.00 11.12 C ATOM 119 CD LYS A 8 16.629 -9.412 -13.114 1.00 33.34 C ATOM 120 CE LYS A 8 17.106 -9.878 -14.481 1.00 34.44 C ATOM 121 NZ LYS A 8 16.621 -11.250 -14.799 1.00 40.01 N ATOM 0 H LYS A 8 15.180 -6.257 -11.726 1.00 41.30 H new ATOM 0 HA LYS A 8 13.606 -8.321 -10.297 1.00 3.14 H new ATOM 0 HB2 LYS A 8 14.357 -9.858 -12.079 1.00 50.44 H new ATOM 0 HB3 LYS A 8 13.394 -8.541 -12.719 1.00 50.44 H new ATOM 0 HG2 LYS A 8 15.081 -8.453 -14.250 1.00 11.12 H new ATOM 0 HG3 LYS A 8 15.820 -7.426 -13.038 1.00 11.12 H new ATOM 0 HD2 LYS A 8 17.453 -8.935 -12.583 1.00 33.34 H new ATOM 0 HD3 LYS A 8 16.324 -10.274 -12.521 1.00 33.34 H new ATOM 0 HE2 LYS A 8 16.756 -9.183 -15.244 1.00 34.44 H new ATOM 0 HE3 LYS A 8 18.195 -9.862 -14.511 1.00 34.44 H new ATOM 0 HZ1 LYS A 8 16.967 -11.531 -15.738 1.00 40.01 H new ATOM 0 HZ2 LYS A 8 16.976 -11.918 -14.085 1.00 40.01 H new ATOM 0 HZ3 LYS A 8 15.581 -11.260 -14.796 1.00 40.01 H new ATOM 135 N PRO A 9 15.610 -9.468 -9.303 1.00 11.32 N ATOM 136 CA PRO A 9 16.743 -9.988 -8.532 1.00 44.53 C ATOM 137 C PRO A 9 17.726 -10.766 -9.400 1.00 43.33 C ATOM 138 O PRO A 9 17.368 -11.259 -10.469 1.00 31.31 O ATOM 139 CB PRO A 9 16.082 -10.915 -7.510 1.00 72.43 C ATOM 140 CG PRO A 9 14.801 -11.330 -8.148 1.00 62.25 C ATOM 141 CD PRO A 9 14.351 -10.157 -8.974 1.00 12.31 C ATOM 0 HA PRO A 9 17.332 -9.188 -8.083 1.00 44.53 H new ATOM 0 HB2 PRO A 9 16.713 -11.777 -7.291 1.00 72.43 H new ATOM 0 HB3 PRO A 9 15.905 -10.401 -6.565 1.00 72.43 H new ATOM 0 HG2 PRO A 9 14.943 -12.214 -8.770 1.00 62.25 H new ATOM 0 HG3 PRO A 9 14.055 -11.586 -7.395 1.00 62.25 H new ATOM 0 HD2 PRO A 9 13.822 -10.477 -9.872 1.00 12.31 H new ATOM 0 HD3 PRO A 9 13.673 -9.510 -8.417 1.00 12.31 H new ATOM 149 N GLU A 10 18.966 -10.871 -8.933 1.00 65.22 N ATOM 150 CA GLU A 10 19.356 -10.274 -7.661 1.00 44.24 C ATOM 151 C GLU A 10 19.744 -8.809 -7.844 1.00 61.34 C ATOM 152 O GLU A 10 20.750 -8.498 -8.480 1.00 42.50 O ATOM 153 CB GLU A 10 20.523 -11.048 -7.045 1.00 61.51 C ATOM 154 CG GLU A 10 20.295 -11.441 -5.595 1.00 10.40 C ATOM 155 CD GLU A 10 19.927 -12.903 -5.437 1.00 73.00 C ATOM 156 OE1 GLU A 10 18.809 -13.280 -5.846 1.00 75.02 O ATOM 157 OE2 GLU A 10 20.756 -13.670 -4.905 1.00 34.15 O ATOM 0 H GLU A 10 19.717 -11.364 -9.416 1.00 65.22 H new ATOM 0 HA GLU A 10 18.500 -10.325 -6.988 1.00 44.24 H new ATOM 0 HB2 GLU A 10 20.701 -11.948 -7.633 1.00 61.51 H new ATOM 0 HB3 GLU A 10 21.426 -10.441 -7.110 1.00 61.51 H new ATOM 0 HG2 GLU A 10 21.198 -11.233 -5.020 1.00 10.40 H new ATOM 0 HG3 GLU A 10 19.501 -10.823 -5.176 1.00 10.40 H new ATOM 164 N ASN A 11 18.937 -7.915 -7.283 1.00 2.04 N ATOM 165 CA ASN A 11 19.194 -6.483 -7.384 1.00 64.13 C ATOM 166 C ASN A 11 19.675 -6.115 -8.785 1.00 4.14 C ATOM 167 O ASN A 11 20.845 -5.787 -8.985 1.00 2.51 O ATOM 168 CB ASN A 11 20.235 -6.056 -6.347 1.00 14.32 C ATOM 169 CG ASN A 11 20.030 -4.628 -5.877 1.00 63.33 C ATOM 170 OD1 ASN A 11 18.918 -4.103 -5.918 1.00 14.02 O ATOM 171 ND2 ASN A 11 21.107 -3.993 -5.429 1.00 30.32 N ATOM 0 H ASN A 11 18.099 -8.157 -6.754 1.00 2.04 H new ATOM 0 HA ASN A 11 18.260 -5.956 -7.189 1.00 64.13 H new ATOM 0 HB2 ASN A 11 20.187 -6.728 -5.490 1.00 14.32 H new ATOM 0 HB3 ASN A 11 21.232 -6.155 -6.775 1.00 14.32 H new ATOM 0 HD21 ASN A 11 21.032 -3.030 -5.101 1.00 30.32 H new ATOM 0 HD22 ASN A 11 22.009 -4.468 -5.413 1.00 30.32 H new ATOM 178 N CYS A 12 18.765 -6.171 -9.751 1.00 31.32 N ATOM 179 CA CYS A 12 19.094 -5.844 -11.133 1.00 24.03 C ATOM 180 C CYS A 12 18.006 -4.979 -11.761 1.00 52.22 C ATOM 181 O CYS A 12 16.816 -5.265 -11.628 1.00 12.22 O ATOM 182 CB CYS A 12 19.281 -7.123 -11.951 1.00 75.13 C ATOM 183 SG CYS A 12 21.016 -7.500 -12.357 1.00 71.30 S ATOM 0 H CYS A 12 17.793 -6.440 -9.602 1.00 31.32 H new ATOM 0 HA CYS A 12 20.027 -5.280 -11.135 1.00 24.03 H new ATOM 0 HB2 CYS A 12 18.859 -7.961 -11.396 1.00 75.13 H new ATOM 0 HB3 CYS A 12 18.713 -7.035 -12.877 1.00 75.13 H new ATOM 188 N VAL A 13 18.422 -3.919 -12.447 1.00 62.12 N ATOM 189 CA VAL A 13 17.484 -3.012 -13.098 1.00 31.52 C ATOM 190 C VAL A 13 16.765 -3.701 -14.253 1.00 22.25 C ATOM 191 O VAL A 13 17.198 -4.751 -14.729 1.00 51.33 O ATOM 192 CB VAL A 13 18.196 -1.754 -13.628 1.00 53.31 C ATOM 193 CG1 VAL A 13 18.945 -1.051 -12.506 1.00 55.12 C ATOM 194 CG2 VAL A 13 19.139 -2.115 -14.765 1.00 61.14 C ATOM 0 H VAL A 13 19.403 -3.667 -12.566 1.00 62.12 H new ATOM 0 HA VAL A 13 16.754 -2.717 -12.344 1.00 31.52 H new ATOM 0 HB VAL A 13 17.443 -1.068 -14.015 1.00 53.31 H new ATOM 0 HG11 VAL A 13 19.442 -0.164 -12.900 1.00 55.12 H new ATOM 0 HG12 VAL A 13 18.241 -0.757 -11.727 1.00 55.12 H new ATOM 0 HG13 VAL A 13 19.689 -1.727 -12.086 1.00 55.12 H new ATOM 0 HG21 VAL A 13 19.634 -1.214 -15.127 1.00 61.14 H new ATOM 0 HG22 VAL A 13 19.888 -2.821 -14.406 1.00 61.14 H new ATOM 0 HG23 VAL A 13 18.572 -2.569 -15.578 1.00 61.14 H new ATOM 204 N TYR A 14 15.666 -3.104 -14.698 1.00 52.32 N ATOM 205 CA TYR A 14 14.885 -3.660 -15.797 1.00 20.44 C ATOM 206 C TYR A 14 14.692 -2.630 -16.905 1.00 11.12 C ATOM 207 O TYR A 14 13.826 -1.761 -16.814 1.00 53.32 O ATOM 208 CB TYR A 14 13.524 -4.142 -15.290 1.00 65.10 C ATOM 209 CG TYR A 14 13.230 -5.587 -15.625 1.00 44.24 C ATOM 210 CD1 TYR A 14 13.514 -6.100 -16.885 1.00 21.01 C ATOM 211 CD2 TYR A 14 12.669 -6.439 -14.682 1.00 5.01 C ATOM 212 CE1 TYR A 14 13.246 -7.419 -17.196 1.00 23.14 C ATOM 213 CE2 TYR A 14 12.400 -7.760 -14.983 1.00 54.14 C ATOM 214 CZ TYR A 14 12.689 -8.245 -16.242 1.00 23.04 C ATOM 215 OH TYR A 14 12.422 -9.560 -16.547 1.00 23.02 O ATOM 0 H TYR A 14 15.295 -2.235 -14.315 1.00 52.32 H new ATOM 0 HA TYR A 14 15.434 -4.508 -16.207 1.00 20.44 H new ATOM 0 HB2 TYR A 14 13.482 -4.013 -14.209 1.00 65.10 H new ATOM 0 HB3 TYR A 14 12.743 -3.513 -15.717 1.00 65.10 H new ATOM 0 HD1 TYR A 14 13.952 -5.456 -17.634 1.00 21.01 H new ATOM 0 HD2 TYR A 14 12.439 -6.062 -13.696 1.00 5.01 H new ATOM 0 HE1 TYR A 14 13.471 -7.801 -18.181 1.00 23.14 H new ATOM 0 HE2 TYR A 14 11.966 -8.409 -14.237 1.00 54.14 H new ATOM 0 HH TYR A 14 12.032 -10.005 -15.765 1.00 23.02 H new ATOM 225 N GLU A 15 15.506 -2.735 -17.951 1.00 31.45 N ATOM 226 CA GLU A 15 15.425 -1.813 -19.077 1.00 1.22 C ATOM 227 C GLU A 15 14.407 -2.298 -20.105 1.00 44.53 C ATOM 228 O GLU A 15 14.214 -3.500 -20.285 1.00 63.34 O ATOM 229 CB GLU A 15 16.797 -1.656 -19.736 1.00 2.24 C ATOM 230 CG GLU A 15 17.297 -2.922 -20.411 1.00 34.12 C ATOM 231 CD GLU A 15 18.561 -2.694 -21.216 1.00 62.00 C ATOM 232 OE1 GLU A 15 18.451 -2.305 -22.397 1.00 50.23 O ATOM 233 OE2 GLU A 15 19.661 -2.905 -20.664 1.00 4.22 O ATOM 0 H GLU A 15 16.229 -3.449 -18.042 1.00 31.45 H new ATOM 0 HA GLU A 15 15.099 -0.844 -18.698 1.00 1.22 H new ATOM 0 HB2 GLU A 15 16.746 -0.856 -20.475 1.00 2.24 H new ATOM 0 HB3 GLU A 15 17.520 -1.347 -18.981 1.00 2.24 H new ATOM 0 HG2 GLU A 15 17.486 -3.683 -19.654 1.00 34.12 H new ATOM 0 HG3 GLU A 15 16.518 -3.311 -21.067 1.00 34.12 H new ATOM 240 N CYS A 16 13.758 -1.353 -20.777 1.00 43.34 N ATOM 241 CA CYS A 16 12.759 -1.681 -21.787 1.00 64.12 C ATOM 242 C CYS A 16 13.338 -1.535 -23.192 1.00 34.31 C ATOM 243 O CYS A 16 14.544 -1.368 -23.364 1.00 2.23 O ATOM 244 CB CYS A 16 11.532 -0.780 -21.633 1.00 25.21 C ATOM 245 SG CYS A 16 10.927 -0.635 -19.921 1.00 20.42 S ATOM 0 H CYS A 16 13.906 -0.353 -20.640 1.00 43.34 H new ATOM 0 HA CYS A 16 12.459 -2.719 -21.642 1.00 64.12 H new ATOM 0 HB2 CYS A 16 11.776 0.215 -22.006 1.00 25.21 H new ATOM 0 HB3 CYS A 16 10.729 -1.168 -22.259 1.00 25.21 H new ATOM 250 N GLY A 17 12.466 -1.600 -24.194 1.00 64.23 N ATOM 251 CA GLY A 17 12.909 -1.474 -25.571 1.00 14.43 C ATOM 252 C GLY A 17 12.622 -2.717 -26.388 1.00 62.35 C ATOM 253 O GLY A 17 12.953 -2.779 -27.573 1.00 54.11 O ATOM 0 H GLY A 17 11.462 -1.737 -24.077 1.00 64.23 H new ATOM 0 HA2 GLY A 17 12.415 -0.618 -26.031 1.00 14.43 H new ATOM 0 HA3 GLY A 17 13.980 -1.271 -25.588 1.00 14.43 H new ATOM 257 N ILE A 18 12.008 -3.711 -25.756 1.00 32.05 N ATOM 258 CA ILE A 18 11.678 -4.959 -26.432 1.00 60.15 C ATOM 259 C ILE A 18 10.350 -5.520 -25.935 1.00 23.21 C ATOM 260 O ILE A 18 10.317 -6.498 -25.187 1.00 4.13 O ATOM 261 CB ILE A 18 12.778 -6.017 -26.229 1.00 62.53 C ATOM 262 CG1 ILE A 18 14.131 -5.475 -26.696 1.00 13.24 C ATOM 263 CG2 ILE A 18 12.428 -7.296 -26.977 1.00 1.44 C ATOM 264 CD1 ILE A 18 14.874 -4.704 -25.627 1.00 34.23 C ATOM 0 H ILE A 18 11.729 -3.676 -24.776 1.00 32.05 H new ATOM 0 HA ILE A 18 11.597 -4.730 -27.495 1.00 60.15 H new ATOM 0 HB ILE A 18 12.847 -6.247 -25.166 1.00 62.53 H new ATOM 0 HG12 ILE A 18 14.751 -6.307 -27.030 1.00 13.24 H new ATOM 0 HG13 ILE A 18 13.976 -4.827 -27.559 1.00 13.24 H new ATOM 0 HG21 ILE A 18 13.215 -8.034 -26.824 1.00 1.44 H new ATOM 0 HG22 ILE A 18 11.483 -7.690 -26.602 1.00 1.44 H new ATOM 0 HG23 ILE A 18 12.335 -7.081 -28.041 1.00 1.44 H new ATOM 0 HD11 ILE A 18 15.824 -4.350 -26.028 1.00 34.23 H new ATOM 0 HD12 ILE A 18 14.273 -3.852 -25.309 1.00 34.23 H new ATOM 0 HD13 ILE A 18 15.061 -5.355 -24.773 1.00 34.23 H new ATOM 276 N THR A 19 9.255 -4.896 -26.357 1.00 11.14 N ATOM 277 CA THR A 19 7.924 -5.333 -25.955 1.00 13.31 C ATOM 278 C THR A 19 7.675 -5.051 -24.478 1.00 22.05 C ATOM 279 O THR A 19 7.367 -5.960 -23.707 1.00 53.31 O ATOM 280 CB THR A 19 7.722 -6.837 -26.220 1.00 40.52 C ATOM 281 OG1 THR A 19 8.459 -7.232 -27.382 1.00 61.24 O ATOM 282 CG2 THR A 19 6.248 -7.159 -26.414 1.00 41.12 C ATOM 0 H THR A 19 9.264 -4.086 -26.977 1.00 11.14 H new ATOM 0 HA THR A 19 7.212 -4.767 -26.555 1.00 13.31 H new ATOM 0 HB THR A 19 8.087 -7.389 -25.354 1.00 40.52 H new ATOM 0 HG1 THR A 19 8.327 -8.190 -27.543 1.00 61.24 H new ATOM 0 HG21 THR A 19 6.130 -8.227 -26.600 1.00 41.12 H new ATOM 0 HG22 THR A 19 5.694 -6.883 -25.517 1.00 41.12 H new ATOM 0 HG23 THR A 19 5.862 -6.598 -27.265 1.00 41.12 H new ATOM 290 N GLN A 20 7.811 -3.787 -24.090 1.00 31.02 N ATOM 291 CA GLN A 20 7.601 -3.387 -22.704 1.00 14.15 C ATOM 292 C GLN A 20 6.272 -3.920 -22.179 1.00 34.13 C ATOM 293 O GLN A 20 5.437 -4.398 -22.947 1.00 34.33 O ATOM 294 CB GLN A 20 7.637 -1.863 -22.579 1.00 51.34 C ATOM 295 CG GLN A 20 6.854 -1.145 -23.667 1.00 1.11 C ATOM 296 CD GLN A 20 5.964 -0.048 -23.118 1.00 13.24 C ATOM 297 OE1 GLN A 20 4.805 -0.286 -22.776 1.00 53.43 O ATOM 298 NE2 GLN A 20 6.502 1.163 -23.029 1.00 32.12 N ATOM 0 H GLN A 20 8.066 -3.023 -24.716 1.00 31.02 H new ATOM 0 HA GLN A 20 8.405 -3.813 -22.104 1.00 14.15 H new ATOM 0 HB2 GLN A 20 7.237 -1.577 -21.606 1.00 51.34 H new ATOM 0 HB3 GLN A 20 8.674 -1.529 -22.608 1.00 51.34 H new ATOM 0 HG2 GLN A 20 7.550 -0.716 -24.388 1.00 1.11 H new ATOM 0 HG3 GLN A 20 6.242 -1.868 -24.206 1.00 1.11 H new ATOM 0 HE21 GLN A 20 7.466 1.316 -23.324 1.00 32.12 H new ATOM 0 HE22 GLN A 20 5.951 1.941 -22.666 1.00 32.12 H new ATOM 307 N ASP A 21 6.082 -3.835 -20.867 1.00 5.04 N ATOM 308 CA ASP A 21 4.854 -4.308 -20.239 1.00 23.42 C ATOM 309 C ASP A 21 4.875 -4.043 -18.737 1.00 32.34 C ATOM 310 O ASP A 21 4.433 -4.874 -17.943 1.00 32.44 O ATOM 311 CB ASP A 21 4.664 -5.803 -20.503 1.00 45.10 C ATOM 312 CG ASP A 21 5.949 -6.589 -20.330 1.00 62.13 C ATOM 313 OD1 ASP A 21 6.650 -6.366 -19.321 1.00 35.10 O ATOM 314 OD2 ASP A 21 6.255 -7.427 -21.205 1.00 13.21 O ATOM 0 H ASP A 21 6.763 -3.443 -20.217 1.00 5.04 H new ATOM 0 HA ASP A 21 4.018 -3.761 -20.675 1.00 23.42 H new ATOM 0 HB2 ASP A 21 3.907 -6.196 -19.824 1.00 45.10 H new ATOM 0 HB3 ASP A 21 4.288 -5.945 -21.516 1.00 45.10 H new ATOM 319 N CYS A 22 5.392 -2.881 -18.353 1.00 54.22 N ATOM 320 CA CYS A 22 5.472 -2.506 -16.947 1.00 12.24 C ATOM 321 C CYS A 22 4.121 -2.684 -16.258 1.00 44.44 C ATOM 322 O CYS A 22 3.995 -3.453 -15.307 1.00 72.32 O ATOM 323 CB CYS A 22 5.939 -1.055 -16.810 1.00 22.42 C ATOM 324 SG CYS A 22 7.717 -0.814 -17.127 1.00 53.14 S ATOM 0 H CYS A 22 5.762 -2.182 -18.997 1.00 54.22 H new ATOM 0 HA CYS A 22 6.196 -3.161 -16.463 1.00 12.24 H new ATOM 0 HB2 CYS A 22 5.370 -0.434 -17.502 1.00 22.42 H new ATOM 0 HB3 CYS A 22 5.709 -0.704 -15.804 1.00 22.42 H new ATOM 329 N ASN A 23 3.115 -1.966 -16.747 1.00 43.23 N ATOM 330 CA ASN A 23 1.774 -2.044 -16.180 1.00 2.24 C ATOM 331 C ASN A 23 1.345 -3.496 -15.995 1.00 61.33 C ATOM 332 O ASN A 23 0.705 -3.845 -15.003 1.00 74.34 O ATOM 333 CB ASN A 23 0.774 -1.315 -17.079 1.00 51.01 C ATOM 334 CG ASN A 23 -0.319 -0.624 -16.287 1.00 50.30 C ATOM 335 OD1 ASN A 23 -0.869 -1.324 -15.302 1.00 61.23 O flip ATOM 336 ND2 ASN A 23 -0.664 0.527 -16.557 1.00 74.54 N flip ATOM 0 H ASN A 23 3.203 -1.324 -17.535 1.00 43.23 H new ATOM 0 HA ASN A 23 1.791 -1.562 -15.203 1.00 2.24 H new ATOM 0 HB2 ASN A 23 1.303 -0.578 -17.683 1.00 51.01 H new ATOM 0 HB3 ASN A 23 0.323 -2.028 -17.769 1.00 51.01 H new ATOM 0 HD21 ASN A 23 -0.214 1.028 -17.323 1.00 74.54 H new ATOM 0 HD22 ASN A 23 -1.400 0.979 -16.015 1.00 74.54 H new ATOM 343 N LYS A 24 1.703 -4.340 -16.958 1.00 11.34 N ATOM 344 CA LYS A 24 1.358 -5.755 -16.902 1.00 73.34 C ATOM 345 C LYS A 24 2.136 -6.462 -15.797 1.00 71.45 C ATOM 346 O LYS A 24 1.563 -7.203 -14.997 1.00 22.01 O ATOM 347 CB LYS A 24 1.642 -6.424 -18.249 1.00 43.33 C ATOM 348 CG LYS A 24 0.676 -7.545 -18.588 1.00 75.12 C ATOM 349 CD LYS A 24 -0.469 -7.051 -19.457 1.00 31.11 C ATOM 350 CE LYS A 24 -1.568 -8.096 -19.579 1.00 24.14 C ATOM 351 NZ LYS A 24 -2.571 -7.728 -20.616 1.00 0.25 N ATOM 0 H LYS A 24 2.232 -4.068 -17.786 1.00 11.34 H new ATOM 0 HA LYS A 24 0.294 -5.835 -16.681 1.00 73.34 H new ATOM 0 HB2 LYS A 24 1.601 -5.670 -19.035 1.00 43.33 H new ATOM 0 HB3 LYS A 24 2.657 -6.821 -18.241 1.00 43.33 H new ATOM 0 HG2 LYS A 24 1.209 -8.342 -19.106 1.00 75.12 H new ATOM 0 HG3 LYS A 24 0.277 -7.974 -17.668 1.00 75.12 H new ATOM 0 HD2 LYS A 24 -0.881 -6.136 -19.032 1.00 31.11 H new ATOM 0 HD3 LYS A 24 -0.092 -6.800 -20.449 1.00 31.11 H new ATOM 0 HE2 LYS A 24 -1.126 -9.061 -19.828 1.00 24.14 H new ATOM 0 HE3 LYS A 24 -2.067 -8.213 -18.617 1.00 24.14 H new ATOM 0 HZ1 LYS A 24 -3.303 -8.465 -20.668 1.00 0.25 H new ATOM 0 HZ2 LYS A 24 -3.012 -6.820 -20.366 1.00 0.25 H new ATOM 0 HZ3 LYS A 24 -2.100 -7.642 -21.539 1.00 0.25 H new ATOM 365 N LEU A 25 3.443 -6.229 -15.758 1.00 40.23 N ATOM 366 CA LEU A 25 4.300 -6.842 -14.750 1.00 21.42 C ATOM 367 C LEU A 25 3.856 -6.448 -13.345 1.00 31.32 C ATOM 368 O LEU A 25 3.693 -7.301 -12.472 1.00 33.04 O ATOM 369 CB LEU A 25 5.757 -6.431 -14.971 1.00 14.52 C ATOM 370 CG LEU A 25 6.787 -7.090 -14.053 1.00 41.44 C ATOM 371 CD1 LEU A 25 6.960 -8.557 -14.412 1.00 71.42 C ATOM 372 CD2 LEU A 25 8.119 -6.358 -14.135 1.00 61.44 C ATOM 0 H LEU A 25 3.933 -5.620 -16.413 1.00 40.23 H new ATOM 0 HA LEU A 25 4.216 -7.924 -14.848 1.00 21.42 H new ATOM 0 HB2 LEU A 25 6.024 -6.655 -16.004 1.00 14.52 H new ATOM 0 HB3 LEU A 25 5.831 -5.350 -14.850 1.00 14.52 H new ATOM 0 HG LEU A 25 6.424 -7.029 -13.027 1.00 41.44 H new ATOM 0 HD11 LEU A 25 7.697 -9.010 -13.748 1.00 71.42 H new ATOM 0 HD12 LEU A 25 6.006 -9.073 -14.302 1.00 71.42 H new ATOM 0 HD13 LEU A 25 7.301 -8.641 -15.444 1.00 71.42 H new ATOM 0 HD21 LEU A 25 8.840 -6.840 -13.475 1.00 61.44 H new ATOM 0 HD22 LEU A 25 8.488 -6.388 -15.160 1.00 61.44 H new ATOM 0 HD23 LEU A 25 7.984 -5.321 -13.828 1.00 61.44 H new ATOM 384 N CYS A 26 3.660 -5.151 -13.134 1.00 33.10 N ATOM 385 CA CYS A 26 3.232 -4.643 -11.836 1.00 44.21 C ATOM 386 C CYS A 26 1.895 -5.254 -11.426 1.00 44.41 C ATOM 387 O CYS A 26 1.773 -5.846 -10.354 1.00 30.43 O ATOM 388 CB CYS A 26 3.118 -3.118 -11.875 1.00 4.43 C ATOM 389 SG CYS A 26 4.597 -2.278 -12.527 1.00 44.23 S ATOM 0 H CYS A 26 3.791 -4.432 -13.846 1.00 33.10 H new ATOM 0 HA CYS A 26 3.982 -4.926 -11.097 1.00 44.21 H new ATOM 0 HB2 CYS A 26 2.258 -2.844 -12.487 1.00 4.43 H new ATOM 0 HB3 CYS A 26 2.921 -2.753 -10.867 1.00 4.43 H new ATOM 394 N THR A 27 0.894 -5.105 -12.288 1.00 10.21 N ATOM 395 CA THR A 27 -0.434 -5.640 -12.016 1.00 70.22 C ATOM 396 C THR A 27 -0.365 -7.113 -11.629 1.00 5.23 C ATOM 397 O THR A 27 -0.885 -7.515 -10.589 1.00 5.15 O ATOM 398 CB THR A 27 -1.362 -5.485 -13.235 1.00 75.25 C ATOM 399 OG1 THR A 27 -0.718 -5.992 -14.409 1.00 72.25 O ATOM 400 CG2 THR A 27 -1.739 -4.026 -13.447 1.00 63.52 C ATOM 0 H THR A 27 0.978 -4.618 -13.180 1.00 10.21 H new ATOM 0 HA THR A 27 -0.841 -5.067 -11.183 1.00 70.22 H new ATOM 0 HB THR A 27 -2.272 -6.055 -13.045 1.00 75.25 H new ATOM 0 HG1 THR A 27 0.007 -5.387 -14.671 1.00 72.25 H new ATOM 0 HG21 THR A 27 -2.395 -3.942 -14.314 1.00 63.52 H new ATOM 0 HG22 THR A 27 -2.256 -3.652 -12.563 1.00 63.52 H new ATOM 0 HG23 THR A 27 -0.837 -3.438 -13.616 1.00 63.52 H new ATOM 408 N GLU A 28 0.282 -7.912 -12.472 1.00 33.12 N ATOM 409 CA GLU A 28 0.418 -9.341 -12.216 1.00 23.12 C ATOM 410 C GLU A 28 1.051 -9.591 -10.850 1.00 32.03 C ATOM 411 O GLU A 28 0.624 -10.475 -10.109 1.00 32.51 O ATOM 412 CB GLU A 28 1.263 -9.999 -13.309 1.00 73.20 C ATOM 413 CG GLU A 28 0.470 -10.925 -14.216 1.00 34.20 C ATOM 414 CD GLU A 28 0.222 -12.284 -13.590 1.00 12.34 C ATOM 415 OE1 GLU A 28 -0.186 -12.329 -12.410 1.00 44.52 O ATOM 416 OE2 GLU A 28 0.435 -13.302 -14.280 1.00 64.40 O ATOM 0 H GLU A 28 0.720 -7.594 -13.337 1.00 33.12 H new ATOM 0 HA GLU A 28 -0.579 -9.782 -12.222 1.00 23.12 H new ATOM 0 HB2 GLU A 28 1.728 -9.221 -13.915 1.00 73.20 H new ATOM 0 HB3 GLU A 28 2.070 -10.564 -12.842 1.00 73.20 H new ATOM 0 HG2 GLU A 28 -0.486 -10.460 -14.457 1.00 34.20 H new ATOM 0 HG3 GLU A 28 1.007 -11.055 -15.156 1.00 34.20 H new ATOM 423 N ASN A 29 2.072 -8.805 -10.524 1.00 51.02 N ATOM 424 CA ASN A 29 2.765 -8.941 -9.248 1.00 72.12 C ATOM 425 C ASN A 29 1.851 -8.555 -8.089 1.00 71.20 C ATOM 426 O ASN A 29 2.076 -8.955 -6.948 1.00 2.35 O ATOM 427 CB ASN A 29 4.023 -8.071 -9.232 1.00 0.31 C ATOM 428 CG ASN A 29 5.274 -8.856 -9.575 1.00 70.31 C ATOM 429 OD1 ASN A 29 5.915 -9.437 -8.699 1.00 62.34 O ATOM 430 ND2 ASN A 29 5.627 -8.877 -10.855 1.00 71.01 N ATOM 0 H ASN A 29 2.438 -8.067 -11.126 1.00 51.02 H new ATOM 0 HA ASN A 29 3.052 -9.986 -9.128 1.00 72.12 H new ATOM 0 HB2 ASN A 29 3.905 -7.253 -9.943 1.00 0.31 H new ATOM 0 HB3 ASN A 29 4.138 -7.622 -8.245 1.00 0.31 H new ATOM 0 HD21 ASN A 29 6.460 -9.389 -11.146 1.00 71.01 H new ATOM 0 HD22 ASN A 29 5.066 -8.381 -11.547 1.00 71.01 H new ATOM 437 N GLY A 30 0.817 -7.775 -8.392 1.00 23.34 N ATOM 438 CA GLY A 30 -0.116 -7.349 -7.365 1.00 44.30 C ATOM 439 C GLY A 30 -0.013 -5.866 -7.068 1.00 42.23 C ATOM 440 O GLY A 30 -0.537 -5.390 -6.062 1.00 53.52 O ATOM 0 H GLY A 30 0.609 -7.431 -9.329 1.00 23.34 H new ATOM 0 HA2 GLY A 30 -1.132 -7.583 -7.682 1.00 44.30 H new ATOM 0 HA3 GLY A 30 0.071 -7.913 -6.451 1.00 44.30 H new ATOM 444 N ALA A 31 0.666 -5.134 -7.946 1.00 25.15 N ATOM 445 CA ALA A 31 0.836 -3.697 -7.773 1.00 1.24 C ATOM 446 C ALA A 31 -0.368 -2.933 -8.312 1.00 54.01 C ATOM 447 O ALA A 31 -1.382 -3.530 -8.673 1.00 31.05 O ATOM 448 CB ALA A 31 2.111 -3.229 -8.459 1.00 72.44 C ATOM 0 H ALA A 31 1.107 -5.513 -8.784 1.00 25.15 H new ATOM 0 HA ALA A 31 0.915 -3.492 -6.705 1.00 1.24 H new ATOM 0 HB1 ALA A 31 2.225 -2.154 -8.321 1.00 72.44 H new ATOM 0 HB2 ALA A 31 2.968 -3.743 -8.024 1.00 72.44 H new ATOM 0 HB3 ALA A 31 2.055 -3.454 -9.524 1.00 72.44 H new ATOM 454 N GLU A 32 -0.250 -1.610 -8.364 1.00 3.13 N ATOM 455 CA GLU A 32 -1.331 -0.765 -8.858 1.00 62.41 C ATOM 456 C GLU A 32 -1.147 -0.460 -10.342 1.00 12.51 C ATOM 457 O GLU A 32 -1.926 -0.912 -11.181 1.00 21.21 O ATOM 458 CB GLU A 32 -1.394 0.539 -8.061 1.00 41.32 C ATOM 459 CG GLU A 32 -2.652 1.351 -8.320 1.00 71.44 C ATOM 460 CD GLU A 32 -3.180 2.024 -7.069 1.00 34.25 C ATOM 461 OE1 GLU A 32 -3.643 1.305 -6.158 1.00 4.51 O ATOM 462 OE2 GLU A 32 -3.131 3.270 -7.000 1.00 21.10 O ATOM 0 H GLU A 32 0.583 -1.100 -8.070 1.00 3.13 H new ATOM 0 HA GLU A 32 -2.269 -1.305 -8.729 1.00 62.41 H new ATOM 0 HB2 GLU A 32 -1.333 0.308 -6.997 1.00 41.32 H new ATOM 0 HB3 GLU A 32 -0.523 1.147 -8.305 1.00 41.32 H new ATOM 0 HG2 GLU A 32 -2.442 2.109 -9.074 1.00 71.44 H new ATOM 0 HG3 GLU A 32 -3.423 0.699 -8.730 1.00 71.44 H new ATOM 469 N SER A 33 -0.112 0.312 -10.657 1.00 51.42 N ATOM 470 CA SER A 33 0.172 0.683 -12.039 1.00 1.14 C ATOM 471 C SER A 33 1.672 0.637 -12.316 1.00 13.32 C ATOM 472 O SER A 33 2.456 0.196 -11.477 1.00 42.41 O ATOM 473 CB SER A 33 -0.370 2.082 -12.335 1.00 54.53 C ATOM 474 OG SER A 33 -1.785 2.109 -12.252 1.00 42.41 O ATOM 0 H SER A 33 0.544 0.693 -9.975 1.00 51.42 H new ATOM 0 HA SER A 33 -0.323 -0.036 -12.692 1.00 1.14 H new ATOM 0 HB2 SER A 33 0.053 2.796 -11.628 1.00 54.53 H new ATOM 0 HB3 SER A 33 -0.055 2.394 -13.331 1.00 54.53 H new ATOM 0 HG SER A 33 -2.107 3.015 -12.444 1.00 42.41 H new ATOM 480 N GLY A 34 2.063 1.097 -13.501 1.00 35.22 N ATOM 481 CA GLY A 34 3.466 1.100 -13.869 1.00 23.20 C ATOM 482 C GLY A 34 3.683 1.464 -15.324 1.00 61.54 C ATOM 483 O GLY A 34 2.778 1.325 -16.148 1.00 22.52 O ATOM 0 H GLY A 34 1.433 1.467 -14.212 1.00 35.22 H new ATOM 0 HA2 GLY A 34 4.003 1.807 -13.237 1.00 23.20 H new ATOM 0 HA3 GLY A 34 3.891 0.115 -13.677 1.00 23.20 H new ATOM 487 N TYR A 35 4.885 1.932 -15.643 1.00 14.14 N ATOM 488 CA TYR A 35 5.216 2.321 -17.008 1.00 42.22 C ATOM 489 C TYR A 35 6.727 2.329 -17.221 1.00 31.21 C ATOM 490 O TYR A 35 7.501 2.329 -16.263 1.00 71.21 O ATOM 491 CB TYR A 35 4.639 3.703 -17.322 1.00 31.43 C ATOM 492 CG TYR A 35 4.699 4.663 -16.155 1.00 63.04 C ATOM 493 CD1 TYR A 35 5.917 5.036 -15.600 1.00 42.31 C ATOM 494 CD2 TYR A 35 3.539 5.196 -15.608 1.00 40.32 C ATOM 495 CE1 TYR A 35 5.977 5.913 -14.534 1.00 64.11 C ATOM 496 CE2 TYR A 35 3.590 6.075 -14.543 1.00 72.32 C ATOM 497 CZ TYR A 35 4.811 6.430 -14.010 1.00 21.35 C ATOM 498 OH TYR A 35 4.866 7.303 -12.948 1.00 12.33 O ATOM 0 H TYR A 35 5.646 2.051 -14.974 1.00 14.14 H new ATOM 0 HA TYR A 35 4.775 1.588 -17.684 1.00 42.22 H new ATOM 0 HB2 TYR A 35 5.183 4.132 -18.163 1.00 31.43 H new ATOM 0 HB3 TYR A 35 3.602 3.591 -17.637 1.00 31.43 H new ATOM 0 HD1 TYR A 35 6.832 4.634 -16.009 1.00 42.31 H new ATOM 0 HD2 TYR A 35 2.581 4.919 -16.022 1.00 40.32 H new ATOM 0 HE1 TYR A 35 6.932 6.192 -14.114 1.00 64.11 H new ATOM 0 HE2 TYR A 35 2.679 6.482 -14.130 1.00 72.32 H new ATOM 0 HH TYR A 35 3.958 7.574 -12.700 1.00 12.33 H new ATOM 508 N CYS A 36 7.140 2.336 -18.484 1.00 31.22 N ATOM 509 CA CYS A 36 8.557 2.344 -18.825 1.00 61.35 C ATOM 510 C CYS A 36 9.082 3.772 -18.935 1.00 4.34 C ATOM 511 O CYS A 36 8.716 4.510 -19.849 1.00 62.00 O ATOM 512 CB CYS A 36 8.790 1.601 -20.143 1.00 12.13 C ATOM 513 SG CYS A 36 8.987 -0.200 -19.956 1.00 22.20 S ATOM 0 H CYS A 36 6.513 2.336 -19.288 1.00 31.22 H new ATOM 0 HA CYS A 36 9.100 1.836 -18.028 1.00 61.35 H new ATOM 0 HB2 CYS A 36 7.951 1.797 -20.811 1.00 12.13 H new ATOM 0 HB3 CYS A 36 9.681 2.005 -20.623 1.00 12.13 H new ATOM 518 N GLN A 37 9.942 4.154 -17.996 1.00 2.03 N ATOM 519 CA GLN A 37 10.517 5.494 -17.986 1.00 62.14 C ATOM 520 C GLN A 37 11.768 5.555 -18.857 1.00 1.53 C ATOM 521 O GLN A 37 12.868 5.241 -18.402 1.00 41.32 O ATOM 522 CB GLN A 37 10.856 5.917 -16.556 1.00 34.42 C ATOM 523 CG GLN A 37 10.754 7.416 -16.324 1.00 71.41 C ATOM 524 CD GLN A 37 9.647 7.783 -15.356 1.00 32.32 C ATOM 525 OE1 GLN A 37 9.764 7.566 -14.149 1.00 45.33 O ATOM 526 NE2 GLN A 37 8.563 8.342 -15.880 1.00 75.22 N ATOM 0 H GLN A 37 10.256 3.555 -17.233 1.00 2.03 H new ATOM 0 HA GLN A 37 9.777 6.182 -18.394 1.00 62.14 H new ATOM 0 HB2 GLN A 37 10.186 5.405 -15.866 1.00 34.42 H new ATOM 0 HB3 GLN A 37 11.868 5.589 -16.319 1.00 34.42 H new ATOM 0 HG2 GLN A 37 11.705 7.786 -15.940 1.00 71.41 H new ATOM 0 HG3 GLN A 37 10.579 7.916 -17.277 1.00 71.41 H new ATOM 0 HE21 GLN A 37 8.508 8.504 -16.886 1.00 75.22 H new ATOM 0 HE22 GLN A 37 7.785 8.610 -15.277 1.00 75.22 H new ATOM 535 N TRP A 38 11.592 5.962 -20.109 1.00 32.52 N ATOM 536 CA TRP A 38 12.707 6.064 -21.043 1.00 61.31 C ATOM 537 C TRP A 38 13.412 7.408 -20.904 1.00 42.42 C ATOM 538 O TRP A 38 13.122 8.351 -21.640 1.00 23.11 O ATOM 539 CB TRP A 38 12.215 5.878 -22.479 1.00 73.03 C ATOM 540 CG TRP A 38 12.506 4.517 -23.036 1.00 0.22 C ATOM 541 CD1 TRP A 38 12.615 3.351 -22.334 1.00 30.21 C ATOM 542 CD2 TRP A 38 12.727 4.183 -24.410 1.00 64.23 C ATOM 543 NE1 TRP A 38 12.891 2.311 -23.189 1.00 52.43 N ATOM 544 CE2 TRP A 38 12.964 2.795 -24.469 1.00 11.44 C ATOM 545 CE3 TRP A 38 12.747 4.920 -25.597 1.00 72.34 C ATOM 546 CZ2 TRP A 38 13.217 2.134 -25.667 1.00 64.40 C ATOM 547 CZ3 TRP A 38 12.999 4.261 -26.786 1.00 11.40 C ATOM 548 CH2 TRP A 38 13.231 2.880 -26.814 1.00 34.20 C ATOM 0 H TRP A 38 10.688 6.227 -20.501 1.00 32.52 H new ATOM 0 HA TRP A 38 13.420 5.275 -20.806 1.00 61.31 H new ATOM 0 HB2 TRP A 38 11.140 6.054 -22.513 1.00 73.03 H new ATOM 0 HB3 TRP A 38 12.681 6.630 -23.115 1.00 73.03 H new ATOM 0 HD1 TRP A 38 12.501 3.259 -21.264 1.00 30.21 H new ATOM 0 HE1 TRP A 38 13.020 1.337 -22.915 1.00 52.43 H new ATOM 0 HE3 TRP A 38 12.569 5.985 -25.586 1.00 72.34 H new ATOM 0 HZ2 TRP A 38 13.396 1.069 -25.691 1.00 64.40 H new ATOM 0 HZ3 TRP A 38 13.017 4.821 -27.709 1.00 11.40 H new ATOM 0 HH2 TRP A 38 13.425 2.395 -27.759 1.00 34.20 H new ATOM 559 N GLY A 39 14.340 7.490 -19.956 1.00 2.35 N ATOM 560 CA GLY A 39 15.072 8.725 -19.738 1.00 60.52 C ATOM 561 C GLY A 39 14.933 9.239 -18.319 1.00 62.30 C ATOM 562 O GLY A 39 14.238 10.224 -18.073 1.00 61.53 O ATOM 0 H GLY A 39 14.598 6.723 -19.335 1.00 2.35 H new ATOM 0 HA2 GLY A 39 16.127 8.563 -19.961 1.00 60.52 H new ATOM 0 HA3 GLY A 39 14.713 9.484 -20.433 1.00 60.52 H new ATOM 566 N GLY A 40 15.596 8.569 -17.381 1.00 31.32 N ATOM 567 CA GLY A 40 15.528 8.977 -15.990 1.00 45.50 C ATOM 568 C GLY A 40 16.874 8.899 -15.297 1.00 21.33 C ATOM 569 O GLY A 40 17.919 9.014 -15.937 1.00 42.33 O ATOM 0 H GLY A 40 16.179 7.751 -17.560 1.00 31.32 H new ATOM 0 HA2 GLY A 40 15.151 9.998 -15.932 1.00 45.50 H new ATOM 0 HA3 GLY A 40 14.814 8.344 -15.463 1.00 45.50 H new ATOM 573 N LYS A 41 16.850 8.703 -13.983 1.00 23.23 N ATOM 574 CA LYS A 41 18.077 8.609 -13.200 1.00 41.03 C ATOM 575 C LYS A 41 19.040 7.600 -13.818 1.00 4.24 C ATOM 576 O LYS A 41 20.222 7.890 -14.005 1.00 3.14 O ATOM 577 CB LYS A 41 17.757 8.208 -11.758 1.00 43.43 C ATOM 578 CG LYS A 41 18.518 9.014 -10.720 1.00 44.51 C ATOM 579 CD LYS A 41 18.076 8.665 -9.309 1.00 2.30 C ATOM 580 CE LYS A 41 19.091 9.130 -8.276 1.00 22.43 C ATOM 581 NZ LYS A 41 20.232 8.180 -8.153 1.00 40.44 N ATOM 0 H LYS A 41 15.994 8.606 -13.437 1.00 23.23 H new ATOM 0 HA LYS A 41 18.555 9.589 -13.200 1.00 41.03 H new ATOM 0 HB2 LYS A 41 16.687 8.327 -11.585 1.00 43.43 H new ATOM 0 HB3 LYS A 41 17.986 7.151 -11.624 1.00 43.43 H new ATOM 0 HG2 LYS A 41 19.587 8.826 -10.824 1.00 44.51 H new ATOM 0 HG3 LYS A 41 18.362 10.078 -10.898 1.00 44.51 H new ATOM 0 HD2 LYS A 41 17.110 9.126 -9.105 1.00 2.30 H new ATOM 0 HD3 LYS A 41 17.938 7.587 -9.226 1.00 2.30 H new ATOM 0 HE2 LYS A 41 19.467 10.115 -8.554 1.00 22.43 H new ATOM 0 HE3 LYS A 41 18.601 9.237 -7.308 1.00 22.43 H new ATOM 0 HZ1 LYS A 41 20.902 8.532 -7.439 1.00 40.44 H new ATOM 0 HZ2 LYS A 41 19.877 7.246 -7.863 1.00 40.44 H new ATOM 0 HZ3 LYS A 41 20.715 8.097 -9.070 1.00 40.44 H new ATOM 595 N TYR A 42 18.528 6.416 -14.133 1.00 55.32 N ATOM 596 CA TYR A 42 19.343 5.364 -14.729 1.00 11.42 C ATOM 597 C TYR A 42 19.014 5.192 -16.209 1.00 10.15 C ATOM 598 O TYR A 42 19.216 4.122 -16.781 1.00 34.24 O ATOM 599 CB TYR A 42 19.127 4.043 -13.990 1.00 21.33 C ATOM 600 CG TYR A 42 19.741 4.014 -12.608 1.00 53.31 C ATOM 601 CD1 TYR A 42 21.117 4.095 -12.436 1.00 42.53 C ATOM 602 CD2 TYR A 42 18.945 3.905 -11.475 1.00 14.32 C ATOM 603 CE1 TYR A 42 21.683 4.069 -11.176 1.00 54.21 C ATOM 604 CE2 TYR A 42 19.501 3.880 -10.211 1.00 20.23 C ATOM 605 CZ TYR A 42 20.870 3.962 -10.066 1.00 63.25 C ATOM 606 OH TYR A 42 21.429 3.935 -8.809 1.00 54.30 O ATOM 0 H TYR A 42 17.552 6.160 -13.986 1.00 55.32 H new ATOM 0 HA TYR A 42 20.389 5.656 -14.640 1.00 11.42 H new ATOM 0 HB2 TYR A 42 18.057 3.854 -13.907 1.00 21.33 H new ATOM 0 HB3 TYR A 42 19.549 3.232 -14.583 1.00 21.33 H new ATOM 0 HD1 TYR A 42 21.756 4.180 -13.303 1.00 42.53 H new ATOM 0 HD2 TYR A 42 17.873 3.839 -11.584 1.00 14.32 H new ATOM 0 HE1 TYR A 42 22.755 4.132 -11.060 1.00 54.21 H new ATOM 0 HE2 TYR A 42 18.867 3.797 -9.341 1.00 20.23 H new ATOM 0 HH TYR A 42 20.720 3.858 -8.137 1.00 54.30 H new ATOM 616 N GLY A 43 18.506 6.256 -16.823 1.00 40.31 N ATOM 617 CA GLY A 43 18.157 6.204 -18.231 1.00 23.22 C ATOM 618 C GLY A 43 16.827 5.519 -18.473 1.00 71.04 C ATOM 619 O GLY A 43 15.820 5.870 -17.860 1.00 52.14 O ATOM 0 H GLY A 43 18.330 7.153 -16.371 1.00 40.31 H new ATOM 0 HA2 GLY A 43 18.118 7.217 -18.630 1.00 23.22 H new ATOM 0 HA3 GLY A 43 18.939 5.676 -18.777 1.00 23.22 H new ATOM 623 N ASN A 44 16.822 4.539 -19.372 1.00 4.53 N ATOM 624 CA ASN A 44 15.605 3.805 -19.696 1.00 12.12 C ATOM 625 C ASN A 44 15.416 2.621 -18.752 1.00 43.03 C ATOM 626 O ASN A 44 16.177 1.655 -18.793 1.00 62.30 O ATOM 627 CB ASN A 44 15.650 3.315 -21.144 1.00 41.25 C ATOM 628 CG ASN A 44 16.975 2.666 -21.494 1.00 22.30 C ATOM 629 OD1 ASN A 44 17.964 3.350 -21.759 1.00 32.24 O ATOM 630 ND2 ASN A 44 17.001 1.338 -21.497 1.00 34.14 N ATOM 0 H ASN A 44 17.648 4.236 -19.889 1.00 4.53 H new ATOM 0 HA ASN A 44 14.759 4.482 -19.575 1.00 12.12 H new ATOM 0 HB2 ASN A 44 14.844 2.600 -21.308 1.00 41.25 H new ATOM 0 HB3 ASN A 44 15.472 4.155 -21.815 1.00 41.25 H new ATOM 0 HD21 ASN A 44 17.864 0.845 -21.725 1.00 34.14 H new ATOM 0 HD22 ASN A 44 16.157 0.811 -21.271 1.00 34.14 H new ATOM 637 N ALA A 45 14.397 2.704 -17.904 1.00 74.10 N ATOM 638 CA ALA A 45 14.106 1.639 -16.952 1.00 62.44 C ATOM 639 C ALA A 45 12.604 1.485 -16.742 1.00 74.34 C ATOM 640 O ALA A 45 11.818 2.335 -17.160 1.00 54.53 O ATOM 641 CB ALA A 45 14.801 1.911 -15.627 1.00 1.44 C ATOM 0 H ALA A 45 13.759 3.498 -17.857 1.00 74.10 H new ATOM 0 HA ALA A 45 14.486 0.704 -17.364 1.00 62.44 H new ATOM 0 HB1 ALA A 45 14.575 1.108 -14.926 1.00 1.44 H new ATOM 0 HB2 ALA A 45 15.878 1.962 -15.785 1.00 1.44 H new ATOM 0 HB3 ALA A 45 14.449 2.858 -15.219 1.00 1.44 H new ATOM 647 N CYS A 46 12.210 0.394 -16.093 1.00 43.20 N ATOM 648 CA CYS A 46 10.802 0.127 -15.828 1.00 52.53 C ATOM 649 C CYS A 46 10.394 0.667 -14.461 1.00 14.44 C ATOM 650 O CYS A 46 11.019 0.356 -13.447 1.00 44.22 O ATOM 651 CB CYS A 46 10.524 -1.375 -15.899 1.00 74.32 C ATOM 652 SG CYS A 46 8.760 -1.812 -15.763 1.00 23.31 S ATOM 0 H CYS A 46 12.848 -0.320 -15.741 1.00 43.20 H new ATOM 0 HA CYS A 46 10.212 0.635 -16.591 1.00 52.53 H new ATOM 0 HB2 CYS A 46 10.911 -1.761 -16.842 1.00 74.32 H new ATOM 0 HB3 CYS A 46 11.073 -1.874 -15.100 1.00 74.32 H new ATOM 657 N TRP A 47 9.341 1.477 -14.441 1.00 21.02 N ATOM 658 CA TRP A 47 8.849 2.060 -13.198 1.00 11.22 C ATOM 659 C TRP A 47 7.513 1.443 -12.798 1.00 63.12 C ATOM 660 O TRP A 47 6.705 1.081 -13.653 1.00 72.44 O ATOM 661 CB TRP A 47 8.701 3.575 -13.345 1.00 12.40 C ATOM 662 CG TRP A 47 8.053 4.227 -12.161 1.00 24.25 C ATOM 663 CD1 TRP A 47 6.717 4.283 -11.885 1.00 50.20 C ATOM 664 CD2 TRP A 47 8.714 4.916 -11.094 1.00 25.44 C ATOM 665 NE1 TRP A 47 6.507 4.966 -10.711 1.00 24.30 N ATOM 666 CE2 TRP A 47 7.717 5.363 -10.206 1.00 11.35 C ATOM 667 CE3 TRP A 47 10.052 5.196 -10.801 1.00 12.11 C ATOM 668 CZ2 TRP A 47 8.017 6.076 -9.048 1.00 12.03 C ATOM 669 CZ3 TRP A 47 10.348 5.904 -9.652 1.00 32.24 C ATOM 670 CH2 TRP A 47 9.334 6.337 -8.786 1.00 24.30 C ATOM 0 H TRP A 47 8.812 1.745 -15.271 1.00 21.02 H new ATOM 0 HA TRP A 47 9.575 1.847 -12.414 1.00 11.22 H new ATOM 0 HB2 TRP A 47 9.686 4.016 -13.499 1.00 12.40 H new ATOM 0 HB3 TRP A 47 8.112 3.790 -14.237 1.00 12.40 H new ATOM 0 HD1 TRP A 47 5.939 3.854 -12.499 1.00 50.20 H new ATOM 0 HE1 TRP A 47 5.598 5.148 -10.285 1.00 24.30 H new ATOM 0 HE3 TRP A 47 10.840 4.865 -11.461 1.00 12.11 H new ATOM 0 HZ2 TRP A 47 7.237 6.411 -8.380 1.00 12.03 H new ATOM 0 HZ3 TRP A 47 11.378 6.128 -9.417 1.00 32.24 H new ATOM 0 HH2 TRP A 47 9.598 6.887 -7.895 1.00 24.30 H new ATOM 681 N CYS A 48 7.287 1.326 -11.494 1.00 61.31 N ATOM 682 CA CYS A 48 6.049 0.752 -10.981 1.00 22.23 C ATOM 683 C CYS A 48 5.435 1.651 -9.911 1.00 63.23 C ATOM 684 O CYS A 48 6.149 2.334 -9.176 1.00 52.11 O ATOM 685 CB CYS A 48 6.309 -0.641 -10.404 1.00 20.22 C ATOM 686 SG CYS A 48 6.104 -1.994 -11.606 1.00 74.13 S ATOM 0 H CYS A 48 7.945 1.621 -10.773 1.00 61.31 H new ATOM 0 HA CYS A 48 5.345 0.670 -11.809 1.00 22.23 H new ATOM 0 HB2 CYS A 48 7.323 -0.674 -10.005 1.00 20.22 H new ATOM 0 HB3 CYS A 48 5.632 -0.808 -9.566 1.00 20.22 H new ATOM 691 N ILE A 49 4.109 1.644 -9.831 1.00 1.40 N ATOM 692 CA ILE A 49 3.400 2.458 -8.851 1.00 74.32 C ATOM 693 C ILE A 49 2.596 1.586 -7.892 1.00 1.31 C ATOM 694 O ILE A 49 1.733 0.814 -8.311 1.00 5.21 O ATOM 695 CB ILE A 49 2.451 3.461 -9.533 1.00 75.44 C ATOM 696 CG1 ILE A 49 3.230 4.364 -10.491 1.00 64.20 C ATOM 697 CG2 ILE A 49 1.719 4.292 -8.490 1.00 24.12 C ATOM 698 CD1 ILE A 49 2.362 5.033 -11.533 1.00 15.01 C ATOM 0 H ILE A 49 3.504 1.084 -10.432 1.00 1.40 H new ATOM 0 HA ILE A 49 4.156 3.009 -8.291 1.00 74.32 H new ATOM 0 HB ILE A 49 1.712 2.904 -10.109 1.00 75.44 H new ATOM 0 HG12 ILE A 49 3.747 5.131 -9.914 1.00 64.20 H new ATOM 0 HG13 ILE A 49 3.995 3.772 -10.993 1.00 64.20 H new ATOM 0 HG21 ILE A 49 1.052 4.996 -8.988 1.00 24.12 H new ATOM 0 HG22 ILE A 49 1.136 3.635 -7.845 1.00 24.12 H new ATOM 0 HG23 ILE A 49 2.443 4.842 -7.889 1.00 24.12 H new ATOM 0 HD11 ILE A 49 2.982 5.657 -12.177 1.00 15.01 H new ATOM 0 HD12 ILE A 49 1.865 4.273 -12.135 1.00 15.01 H new ATOM 0 HD13 ILE A 49 1.613 5.652 -11.039 1.00 15.01 H new ATOM 710 N LYS A 50 2.884 1.716 -6.601 1.00 53.42 N ATOM 711 CA LYS A 50 2.187 0.944 -5.580 1.00 33.21 C ATOM 712 C LYS A 50 2.467 -0.547 -5.739 1.00 44.01 C ATOM 713 O LYS A 50 1.691 -1.272 -6.363 1.00 64.10 O ATOM 714 CB LYS A 50 0.680 1.201 -5.656 1.00 70.14 C ATOM 715 CG LYS A 50 0.165 2.129 -4.570 1.00 23.02 C ATOM 716 CD LYS A 50 -0.066 3.534 -5.100 1.00 11.00 C ATOM 717 CE LYS A 50 -0.441 4.496 -3.983 1.00 50.44 C ATOM 718 NZ LYS A 50 0.421 5.711 -3.985 1.00 74.12 N ATOM 0 H LYS A 50 3.596 2.349 -6.237 1.00 53.42 H new ATOM 0 HA LYS A 50 2.555 1.263 -4.605 1.00 33.21 H new ATOM 0 HB2 LYS A 50 0.442 1.628 -6.630 1.00 70.14 H new ATOM 0 HB3 LYS A 50 0.154 0.249 -5.588 1.00 70.14 H new ATOM 0 HG2 LYS A 50 -0.767 1.734 -4.165 1.00 23.02 H new ATOM 0 HG3 LYS A 50 0.881 2.162 -3.749 1.00 23.02 H new ATOM 0 HD2 LYS A 50 0.836 3.888 -5.600 1.00 11.00 H new ATOM 0 HD3 LYS A 50 -0.859 3.516 -5.848 1.00 11.00 H new ATOM 0 HE2 LYS A 50 -1.485 4.791 -4.093 1.00 50.44 H new ATOM 0 HE3 LYS A 50 -0.352 3.989 -3.022 1.00 50.44 H new ATOM 0 HZ1 LYS A 50 0.134 6.342 -3.209 1.00 74.12 H new ATOM 0 HZ2 LYS A 50 1.414 5.432 -3.855 1.00 74.12 H new ATOM 0 HZ3 LYS A 50 0.317 6.209 -4.892 1.00 74.12 H new ATOM 732 N LEU A 51 3.580 -0.999 -5.171 1.00 12.23 N ATOM 733 CA LEU A 51 3.962 -2.404 -5.248 1.00 62.52 C ATOM 734 C LEU A 51 4.123 -3.003 -3.854 1.00 54.14 C ATOM 735 O LEU A 51 4.599 -2.352 -2.924 1.00 20.51 O ATOM 736 CB LEU A 51 5.266 -2.556 -6.034 1.00 31.11 C ATOM 737 CG LEU A 51 5.283 -3.652 -7.100 1.00 65.10 C ATOM 738 CD1 LEU A 51 5.791 -3.101 -8.424 1.00 21.25 C ATOM 739 CD2 LEU A 51 6.140 -4.825 -6.645 1.00 35.00 C ATOM 0 H LEU A 51 4.233 -0.412 -4.652 1.00 12.23 H new ATOM 0 HA LEU A 51 3.168 -2.943 -5.765 1.00 62.52 H new ATOM 0 HB2 LEU A 51 5.489 -1.604 -6.516 1.00 31.11 H new ATOM 0 HB3 LEU A 51 6.072 -2.752 -5.327 1.00 31.11 H new ATOM 0 HG LEU A 51 4.263 -4.007 -7.245 1.00 65.10 H new ATOM 0 HD11 LEU A 51 5.796 -3.895 -9.171 1.00 21.25 H new ATOM 0 HD12 LEU A 51 5.138 -2.294 -8.757 1.00 21.25 H new ATOM 0 HD13 LEU A 51 6.803 -2.718 -8.294 1.00 21.25 H new ATOM 0 HD21 LEU A 51 6.141 -5.596 -7.416 1.00 35.00 H new ATOM 0 HD22 LEU A 51 7.161 -4.484 -6.472 1.00 35.00 H new ATOM 0 HD23 LEU A 51 5.733 -5.236 -5.721 1.00 35.00 H new ATOM 751 N PRO A 52 3.718 -4.273 -3.705 1.00 51.12 N ATOM 752 CA PRO A 52 3.809 -4.988 -2.429 1.00 23.21 C ATOM 753 C PRO A 52 5.251 -5.299 -2.040 1.00 53.24 C ATOM 754 O PRO A 52 6.119 -5.439 -2.902 1.00 23.03 O ATOM 755 CB PRO A 52 3.035 -6.282 -2.691 1.00 64.54 C ATOM 756 CG PRO A 52 3.124 -6.485 -4.165 1.00 11.42 C ATOM 757 CD PRO A 52 3.140 -5.109 -4.771 1.00 43.32 C ATOM 0 HA PRO A 52 3.413 -4.398 -1.602 1.00 23.21 H new ATOM 0 HB2 PRO A 52 3.471 -7.121 -2.149 1.00 64.54 H new ATOM 0 HB3 PRO A 52 1.998 -6.196 -2.365 1.00 64.54 H new ATOM 0 HG2 PRO A 52 4.025 -7.038 -4.429 1.00 11.42 H new ATOM 0 HG3 PRO A 52 2.276 -7.063 -4.531 1.00 11.42 H new ATOM 0 HD2 PRO A 52 3.743 -5.077 -5.678 1.00 43.32 H new ATOM 0 HD3 PRO A 52 2.138 -4.778 -5.042 1.00 43.32 H new ATOM 765 N ASP A 53 5.498 -5.406 -0.740 1.00 10.54 N ATOM 766 CA ASP A 53 6.835 -5.701 -0.237 1.00 73.42 C ATOM 767 C ASP A 53 7.371 -6.993 -0.846 1.00 74.24 C ATOM 768 O ASP A 53 8.582 -7.184 -0.956 1.00 12.22 O ATOM 769 CB ASP A 53 6.816 -5.812 1.288 1.00 5.52 C ATOM 770 CG ASP A 53 7.965 -5.064 1.936 1.00 1.24 C ATOM 771 OD1 ASP A 53 7.832 -3.841 2.148 1.00 12.41 O ATOM 772 OD2 ASP A 53 8.998 -5.702 2.231 1.00 13.21 O ATOM 0 H ASP A 53 4.790 -5.293 -0.014 1.00 10.54 H new ATOM 0 HA ASP A 53 7.494 -4.883 -0.526 1.00 73.42 H new ATOM 0 HB2 ASP A 53 5.872 -5.421 1.666 1.00 5.52 H new ATOM 0 HB3 ASP A 53 6.863 -6.863 1.574 1.00 5.52 H new ATOM 777 N SER A 54 6.460 -7.878 -1.241 1.00 2.15 N ATOM 778 CA SER A 54 6.841 -9.154 -1.834 1.00 64.12 C ATOM 779 C SER A 54 7.901 -8.956 -2.914 1.00 73.02 C ATOM 780 O SER A 54 8.759 -9.813 -3.122 1.00 64.25 O ATOM 781 CB SER A 54 5.616 -9.851 -2.428 1.00 15.21 C ATOM 782 OG SER A 54 5.125 -10.853 -1.554 1.00 1.42 O ATOM 0 H SER A 54 5.453 -7.734 -1.161 1.00 2.15 H new ATOM 0 HA SER A 54 7.261 -9.781 -1.047 1.00 64.12 H new ATOM 0 HB2 SER A 54 4.834 -9.117 -2.620 1.00 15.21 H new ATOM 0 HB3 SER A 54 5.877 -10.297 -3.388 1.00 15.21 H new ATOM 0 HG SER A 54 4.341 -11.282 -1.956 1.00 1.42 H new ATOM 788 N VAL A 55 7.833 -7.819 -3.599 1.00 51.22 N ATOM 789 CA VAL A 55 8.786 -7.506 -4.657 1.00 52.15 C ATOM 790 C VAL A 55 9.334 -6.092 -4.503 1.00 0.22 C ATOM 791 O VAL A 55 8.812 -5.132 -5.070 1.00 4.52 O ATOM 792 CB VAL A 55 8.144 -7.646 -6.050 1.00 74.24 C ATOM 793 CG1 VAL A 55 9.110 -7.189 -7.133 1.00 12.25 C ATOM 794 CG2 VAL A 55 7.702 -9.082 -6.291 1.00 11.12 C ATOM 0 H VAL A 55 7.128 -7.099 -3.440 1.00 51.22 H new ATOM 0 HA VAL A 55 9.604 -8.221 -4.568 1.00 52.15 H new ATOM 0 HB VAL A 55 7.262 -7.006 -6.090 1.00 74.24 H new ATOM 0 HG11 VAL A 55 8.638 -7.296 -8.110 1.00 12.25 H new ATOM 0 HG12 VAL A 55 9.373 -6.144 -6.969 1.00 12.25 H new ATOM 0 HG13 VAL A 55 10.012 -7.800 -7.097 1.00 12.25 H new ATOM 0 HG21 VAL A 55 7.251 -9.163 -7.280 1.00 11.12 H new ATOM 0 HG22 VAL A 55 8.566 -9.744 -6.232 1.00 11.12 H new ATOM 0 HG23 VAL A 55 6.972 -9.370 -5.534 1.00 11.12 H new ATOM 804 N PRO A 56 10.413 -5.958 -3.717 1.00 33.11 N ATOM 805 CA PRO A 56 11.057 -4.665 -3.470 1.00 13.43 C ATOM 806 C PRO A 56 11.769 -4.126 -4.706 1.00 22.33 C ATOM 807 O PRO A 56 12.464 -4.865 -5.404 1.00 21.10 O ATOM 808 CB PRO A 56 12.067 -4.977 -2.364 1.00 25.35 C ATOM 809 CG PRO A 56 12.361 -6.430 -2.518 1.00 11.41 C ATOM 810 CD PRO A 56 11.087 -7.060 -3.009 1.00 40.54 C ATOM 0 HA PRO A 56 10.334 -3.895 -3.201 1.00 13.43 H new ATOM 0 HB2 PRO A 56 12.970 -4.377 -2.472 1.00 25.35 H new ATOM 0 HB3 PRO A 56 11.655 -4.759 -1.379 1.00 25.35 H new ATOM 0 HG2 PRO A 56 13.174 -6.591 -3.226 1.00 11.41 H new ATOM 0 HG3 PRO A 56 12.673 -6.868 -1.570 1.00 11.41 H new ATOM 0 HD2 PRO A 56 11.285 -7.902 -3.672 1.00 40.54 H new ATOM 0 HD3 PRO A 56 10.482 -7.438 -2.185 1.00 40.54 H new ATOM 818 N ILE A 57 11.593 -2.836 -4.970 1.00 35.12 N ATOM 819 CA ILE A 57 12.220 -2.200 -6.121 1.00 4.40 C ATOM 820 C ILE A 57 13.734 -2.378 -6.090 1.00 65.52 C ATOM 821 O ILE A 57 14.276 -3.020 -5.190 1.00 33.42 O ATOM 822 CB ILE A 57 11.894 -0.696 -6.180 1.00 55.35 C ATOM 823 CG1 ILE A 57 12.225 -0.026 -4.845 1.00 63.23 C ATOM 824 CG2 ILE A 57 10.429 -0.486 -6.535 1.00 41.41 C ATOM 825 CD1 ILE A 57 13.680 0.365 -4.711 1.00 2.34 C ATOM 0 H ILE A 57 11.021 -2.211 -4.402 1.00 35.12 H new ATOM 0 HA ILE A 57 11.816 -2.687 -7.009 1.00 4.40 H new ATOM 0 HB ILE A 57 12.506 -0.237 -6.956 1.00 55.35 H new ATOM 0 HG12 ILE A 57 11.606 0.864 -4.731 1.00 63.23 H new ATOM 0 HG13 ILE A 57 11.963 -0.704 -4.032 1.00 63.23 H new ATOM 0 HG21 ILE A 57 10.213 0.582 -6.573 1.00 41.41 H new ATOM 0 HG22 ILE A 57 10.223 -0.933 -7.508 1.00 41.41 H new ATOM 0 HG23 ILE A 57 9.800 -0.956 -5.779 1.00 41.41 H new ATOM 0 HD11 ILE A 57 13.843 0.834 -3.741 1.00 2.34 H new ATOM 0 HD12 ILE A 57 14.305 -0.524 -4.793 1.00 2.34 H new ATOM 0 HD13 ILE A 57 13.942 1.067 -5.502 1.00 2.34 H new ATOM 837 N ARG A 58 14.413 -1.805 -7.079 1.00 33.02 N ATOM 838 CA ARG A 58 15.865 -1.900 -7.165 1.00 30.52 C ATOM 839 C ARG A 58 16.529 -1.107 -6.044 1.00 4.14 C ATOM 840 O ARG A 58 16.394 0.115 -5.969 1.00 25.50 O ATOM 841 CB ARG A 58 16.351 -1.390 -8.523 1.00 24.54 C ATOM 842 CG ARG A 58 17.424 -2.264 -9.153 1.00 12.03 C ATOM 843 CD ARG A 58 18.784 -2.021 -8.518 1.00 43.55 C ATOM 844 NE ARG A 58 19.859 -2.676 -9.259 1.00 53.03 N ATOM 845 CZ ARG A 58 21.120 -2.715 -8.845 1.00 1.44 C ATOM 846 NH1 ARG A 58 21.463 -2.139 -7.701 1.00 2.24 N ATOM 847 NH2 ARG A 58 22.041 -3.330 -9.575 1.00 22.55 N ATOM 0 H ARG A 58 13.980 -1.270 -7.832 1.00 33.02 H new ATOM 0 HA ARG A 58 16.143 -2.949 -7.058 1.00 30.52 H new ATOM 0 HB2 ARG A 58 15.501 -1.325 -9.203 1.00 24.54 H new ATOM 0 HB3 ARG A 58 16.741 -0.379 -8.404 1.00 24.54 H new ATOM 0 HG2 ARG A 58 17.152 -3.314 -9.042 1.00 12.03 H new ATOM 0 HG3 ARG A 58 17.479 -2.061 -10.222 1.00 12.03 H new ATOM 0 HD2 ARG A 58 18.976 -0.949 -8.472 1.00 43.55 H new ATOM 0 HD3 ARG A 58 18.776 -2.388 -7.492 1.00 43.55 H new ATOM 0 HE ARG A 58 19.628 -3.129 -10.144 1.00 53.03 H new ATOM 0 HH11 ARG A 58 20.758 -1.665 -7.137 1.00 2.24 H new ATOM 0 HH12 ARG A 58 22.432 -2.170 -7.385 1.00 2.24 H new ATOM 0 HH21 ARG A 58 21.781 -3.774 -10.456 1.00 22.55 H new ATOM 0 HH22 ARG A 58 23.009 -3.359 -9.256 1.00 22.55 H new ATOM 861 N VAL A 59 17.247 -1.810 -5.173 1.00 12.32 N ATOM 862 CA VAL A 59 17.933 -1.171 -4.056 1.00 32.43 C ATOM 863 C VAL A 59 19.353 -0.772 -4.439 1.00 23.01 C ATOM 864 O VAL A 59 19.957 -1.332 -5.354 1.00 74.04 O ATOM 865 CB VAL A 59 17.986 -2.098 -2.826 1.00 54.33 C ATOM 866 CG1 VAL A 59 16.600 -2.261 -2.220 1.00 51.43 C ATOM 867 CG2 VAL A 59 18.574 -3.449 -3.203 1.00 1.03 C ATOM 0 H VAL A 59 17.369 -2.822 -5.220 1.00 12.32 H new ATOM 0 HA VAL A 59 17.363 -0.277 -3.804 1.00 32.43 H new ATOM 0 HB VAL A 59 18.633 -1.642 -2.076 1.00 54.33 H new ATOM 0 HG11 VAL A 59 16.657 -2.919 -1.353 1.00 51.43 H new ATOM 0 HG12 VAL A 59 16.221 -1.287 -1.912 1.00 51.43 H new ATOM 0 HG13 VAL A 59 15.928 -2.695 -2.960 1.00 51.43 H new ATOM 0 HG21 VAL A 59 18.604 -4.091 -2.323 1.00 1.03 H new ATOM 0 HG22 VAL A 59 17.955 -3.914 -3.970 1.00 1.03 H new ATOM 0 HG23 VAL A 59 19.585 -3.312 -3.587 1.00 1.03 H new ATOM 877 N PRO A 60 19.903 0.220 -3.722 1.00 73.13 N ATOM 878 CA PRO A 60 21.260 0.716 -3.968 1.00 51.22 C ATOM 879 C PRO A 60 22.328 -0.296 -3.569 1.00 44.12 C ATOM 880 O PRO A 60 22.610 -0.482 -2.386 1.00 41.02 O ATOM 881 CB PRO A 60 21.347 1.963 -3.084 1.00 63.31 C ATOM 882 CG PRO A 60 20.358 1.725 -1.996 1.00 4.25 C ATOM 883 CD PRO A 60 19.241 0.933 -2.617 1.00 24.25 C ATOM 0 HA PRO A 60 21.437 0.913 -5.025 1.00 51.22 H new ATOM 0 HB2 PRO A 60 22.352 2.095 -2.684 1.00 63.31 H new ATOM 0 HB3 PRO A 60 21.107 2.865 -3.647 1.00 63.31 H new ATOM 0 HG2 PRO A 60 20.811 1.178 -1.169 1.00 4.25 H new ATOM 0 HG3 PRO A 60 19.990 2.667 -1.591 1.00 4.25 H new ATOM 0 HD2 PRO A 60 18.793 0.241 -1.903 1.00 24.25 H new ATOM 0 HD3 PRO A 60 18.442 1.580 -2.978 1.00 24.25 H new ATOM 891 N GLY A 61 22.921 -0.948 -4.565 1.00 41.10 N ATOM 892 CA GLY A 61 23.952 -1.933 -4.297 1.00 5.12 C ATOM 893 C GLY A 61 24.413 -2.647 -5.552 1.00 42.42 C ATOM 894 O GLY A 61 24.282 -2.121 -6.658 1.00 24.20 O ATOM 0 H GLY A 61 22.705 -0.811 -5.553 1.00 41.10 H new ATOM 0 HA2 GLY A 61 24.805 -1.443 -3.828 1.00 5.12 H new ATOM 0 HA3 GLY A 61 23.573 -2.666 -3.584 1.00 5.12 H new ATOM 898 N LYS A 62 24.956 -3.848 -5.383 1.00 11.52 N ATOM 899 CA LYS A 62 25.439 -4.635 -6.511 1.00 33.54 C ATOM 900 C LYS A 62 24.363 -5.598 -7.002 1.00 75.21 C ATOM 901 O LYS A 62 23.359 -5.821 -6.325 1.00 35.41 O ATOM 902 CB LYS A 62 26.694 -5.416 -6.114 1.00 33.23 C ATOM 903 CG LYS A 62 27.945 -4.972 -6.852 1.00 31.24 C ATOM 904 CD LYS A 62 29.084 -5.959 -6.661 1.00 25.11 C ATOM 905 CE LYS A 62 30.187 -5.743 -7.686 1.00 54.25 C ATOM 906 NZ LYS A 62 30.444 -6.969 -8.491 1.00 70.12 N ATOM 0 H LYS A 62 25.073 -4.298 -4.475 1.00 11.52 H new ATOM 0 HA LYS A 62 25.686 -3.949 -7.321 1.00 33.54 H new ATOM 0 HB2 LYS A 62 26.856 -5.306 -5.042 1.00 33.23 H new ATOM 0 HB3 LYS A 62 26.527 -6.476 -6.304 1.00 33.23 H new ATOM 0 HG2 LYS A 62 27.725 -4.870 -7.915 1.00 31.24 H new ATOM 0 HG3 LYS A 62 28.250 -3.989 -6.494 1.00 31.24 H new ATOM 0 HD2 LYS A 62 29.494 -5.853 -5.656 1.00 25.11 H new ATOM 0 HD3 LYS A 62 28.703 -6.977 -6.744 1.00 25.11 H new ATOM 0 HE2 LYS A 62 29.910 -4.924 -8.350 1.00 54.25 H new ATOM 0 HE3 LYS A 62 31.103 -5.445 -7.176 1.00 54.25 H new ATOM 0 HZ1 LYS A 62 31.202 -6.781 -9.178 1.00 70.12 H new ATOM 0 HZ2 LYS A 62 30.733 -7.744 -7.861 1.00 70.12 H new ATOM 0 HZ3 LYS A 62 29.577 -7.240 -8.998 1.00 70.12 H new ATOM 920 N CYS A 63 24.579 -6.167 -8.183 1.00 71.42 N ATOM 921 CA CYS A 63 23.629 -7.107 -8.765 1.00 75.23 C ATOM 922 C CYS A 63 24.179 -8.530 -8.729 1.00 32.14 C ATOM 923 O CYS A 63 25.379 -8.746 -8.895 1.00 52.13 O ATOM 924 CB CYS A 63 23.305 -6.711 -10.207 1.00 43.32 C ATOM 925 SG CYS A 63 22.258 -7.911 -11.091 1.00 53.42 S ATOM 0 H CYS A 63 25.405 -5.993 -8.756 1.00 71.42 H new ATOM 0 HA CYS A 63 22.715 -7.074 -8.172 1.00 75.23 H new ATOM 0 HB2 CYS A 63 22.805 -5.743 -10.203 1.00 43.32 H new ATOM 0 HB3 CYS A 63 24.238 -6.585 -10.756 1.00 43.32 H new ATOM 930 N GLN A 64 23.292 -9.496 -8.510 1.00 4.14 N ATOM 931 CA GLN A 64 23.690 -10.898 -8.451 1.00 14.43 C ATOM 932 C GLN A 64 22.672 -11.782 -9.164 1.00 30.24 C ATOM 933 O GLN A 64 21.666 -11.296 -9.682 1.00 45.14 O ATOM 934 CB GLN A 64 23.842 -11.346 -6.996 1.00 41.31 C ATOM 935 CG GLN A 64 25.159 -12.049 -6.711 1.00 62.22 C ATOM 936 CD GLN A 64 25.176 -13.481 -7.209 1.00 34.12 C ATOM 937 OE1 GLN A 64 25.724 -13.775 -8.272 1.00 13.14 O ATOM 938 NE2 GLN A 64 24.573 -14.382 -6.441 1.00 44.21 N ATOM 0 H GLN A 64 22.295 -9.334 -8.371 1.00 4.14 H new ATOM 0 HA GLN A 64 24.650 -10.999 -8.957 1.00 14.43 H new ATOM 0 HB2 GLN A 64 23.756 -10.476 -6.346 1.00 41.31 H new ATOM 0 HB3 GLN A 64 23.020 -12.016 -6.743 1.00 41.31 H new ATOM 0 HG2 GLN A 64 25.971 -11.495 -7.181 1.00 62.22 H new ATOM 0 HG3 GLN A 64 25.347 -12.039 -5.637 1.00 62.22 H new ATOM 0 HE21 GLN A 64 24.131 -14.094 -5.568 1.00 44.21 H new ATOM 0 HE22 GLN A 64 24.552 -15.362 -6.725 1.00 44.21 H new