USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=11 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 Single : A 1 VAL N :NH3+ 156:sc= -0.174 (180deg=-0.554) USER MOD Single : A 5 TYR OH : rot -90:sc= -0.804 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.51 K(o=-2.5,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 23 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.98) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -99:sc= 0.784 USER MOD Single : A 29 ASN : amide:sc= -0.179 K(o=-0.18,f=-4.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -67:sc= 0.9 USER MOD Single : A 37 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.78) 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= -0.801 X(o=-0.8,f=-0.95) USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.228) USER MOD Single : A 54 SER OG : rot 180:sc= -1.64! USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0394) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.950 -0.386 0.086 1.00 0.14 N ATOM 2 CA VAL A 1 2.489 -0.273 -1.264 1.00 10.54 C ATOM 3 C VAL A 1 3.181 1.070 -1.468 1.00 4.32 C ATOM 4 O VAL A 1 2.766 2.086 -0.910 1.00 33.23 O ATOM 5 CB VAL A 1 1.384 -0.435 -2.324 1.00 42.44 C ATOM 6 CG1 VAL A 1 1.022 -1.902 -2.499 1.00 1.33 C ATOM 7 CG2 VAL A 1 0.159 0.384 -1.947 1.00 0.14 C ATOM 0 H1 VAL A 1 1.169 -1.073 0.092 1.00 0.14 H new ATOM 0 H2 VAL A 1 2.699 -0.707 0.733 1.00 0.14 H new ATOM 0 H3 VAL A 1 1.597 0.541 0.398 1.00 0.14 H new ATOM 0 HA VAL A 1 3.217 -1.075 -1.383 1.00 10.54 H new ATOM 0 HB VAL A 1 1.762 -0.063 -3.276 1.00 42.44 H new ATOM 0 HG11 VAL A 1 0.240 -1.996 -3.252 1.00 1.33 H new ATOM 0 HG12 VAL A 1 1.903 -2.458 -2.819 1.00 1.33 H new ATOM 0 HG13 VAL A 1 0.664 -2.304 -1.551 1.00 1.33 H new ATOM 0 HG21 VAL A 1 -0.612 0.257 -2.708 1.00 0.14 H new ATOM 0 HG22 VAL A 1 -0.223 0.045 -0.984 1.00 0.14 H new ATOM 0 HG23 VAL A 1 0.432 1.437 -1.879 1.00 0.14 H new ATOM 17 N ARG A 2 4.240 1.068 -2.272 1.00 34.22 N ATOM 18 CA ARG A 2 4.991 2.286 -2.550 1.00 12.14 C ATOM 19 C ARG A 2 5.464 2.314 -4.000 1.00 24.11 C ATOM 20 O ARG A 2 5.691 1.269 -4.610 1.00 33.43 O ATOM 21 CB ARG A 2 6.191 2.396 -1.608 1.00 2.42 C ATOM 22 CG ARG A 2 7.393 1.580 -2.055 1.00 10.15 C ATOM 23 CD ARG A 2 7.072 0.094 -2.098 1.00 40.32 C ATOM 24 NE ARG A 2 6.404 -0.357 -0.881 1.00 22.55 N ATOM 25 CZ ARG A 2 7.049 -0.681 0.235 1.00 64.45 C ATOM 26 NH1 ARG A 2 8.372 -0.603 0.286 1.00 70.54 N ATOM 27 NH2 ARG A 2 6.371 -1.084 1.302 1.00 44.13 N ATOM 0 H ARG A 2 4.597 0.236 -2.742 1.00 34.22 H new ATOM 0 HA ARG A 2 4.330 3.137 -2.386 1.00 12.14 H new ATOM 0 HB2 ARG A 2 6.483 3.443 -1.526 1.00 2.42 H new ATOM 0 HB3 ARG A 2 5.891 2.070 -0.612 1.00 2.42 H new ATOM 0 HG2 ARG A 2 7.714 1.913 -3.042 1.00 10.15 H new ATOM 0 HG3 ARG A 2 8.226 1.754 -1.374 1.00 10.15 H new ATOM 0 HD2 ARG A 2 6.437 -0.115 -2.959 1.00 40.32 H new ATOM 0 HD3 ARG A 2 7.993 -0.472 -2.237 1.00 40.32 H new ATOM 0 HE ARG A 2 5.386 -0.427 -0.887 1.00 22.55 H new ATOM 0 HH11 ARG A 2 8.897 -0.294 -0.532 1.00 70.54 H new ATOM 0 HH12 ARG A 2 8.865 -0.852 1.144 1.00 70.54 H new ATOM 0 HH21 ARG A 2 5.353 -1.145 1.266 1.00 44.13 H new ATOM 0 HH22 ARG A 2 6.867 -1.332 2.158 1.00 44.13 H new ATOM 41 N ASP A 3 5.611 3.516 -4.546 1.00 4.13 N ATOM 42 CA ASP A 3 6.058 3.681 -5.924 1.00 64.40 C ATOM 43 C ASP A 3 7.580 3.767 -5.995 1.00 72.12 C ATOM 44 O ASP A 3 8.220 4.346 -5.118 1.00 61.13 O ATOM 45 CB ASP A 3 5.435 4.935 -6.539 1.00 33.52 C ATOM 46 CG ASP A 3 4.167 5.360 -5.824 1.00 41.35 C ATOM 47 OD1 ASP A 3 3.283 4.502 -5.621 1.00 62.50 O ATOM 48 OD2 ASP A 3 4.059 6.552 -5.468 1.00 42.12 O ATOM 0 H ASP A 3 5.427 4.391 -4.055 1.00 4.13 H new ATOM 0 HA ASP A 3 5.734 2.809 -6.492 1.00 64.40 H new ATOM 0 HB2 ASP A 3 6.158 5.750 -6.506 1.00 33.52 H new ATOM 0 HB3 ASP A 3 5.212 4.749 -7.590 1.00 33.52 H new ATOM 53 N ALA A 4 8.152 3.186 -7.045 1.00 11.02 N ATOM 54 CA ALA A 4 9.597 3.198 -7.231 1.00 5.11 C ATOM 55 C ALA A 4 9.993 2.464 -8.508 1.00 12.41 C ATOM 56 O ALA A 4 9.135 2.023 -9.272 1.00 72.44 O ATOM 57 CB ALA A 4 10.290 2.577 -6.027 1.00 32.31 C ATOM 0 H ALA A 4 7.636 2.701 -7.779 1.00 11.02 H new ATOM 0 HA ALA A 4 9.917 4.236 -7.325 1.00 5.11 H new ATOM 0 HB1 ALA A 4 11.369 2.593 -6.180 1.00 32.31 H new ATOM 0 HB2 ALA A 4 10.042 3.146 -5.131 1.00 32.31 H new ATOM 0 HB3 ALA A 4 9.956 1.547 -5.906 1.00 32.31 H new ATOM 63 N TYR A 5 11.296 2.339 -8.733 1.00 72.20 N ATOM 64 CA TYR A 5 11.805 1.661 -9.920 1.00 14.24 C ATOM 65 C TYR A 5 11.855 0.151 -9.705 1.00 50.53 C ATOM 66 O TYR A 5 12.779 -0.367 -9.079 1.00 5.05 O ATOM 67 CB TYR A 5 13.198 2.184 -10.273 1.00 51.12 C ATOM 68 CG TYR A 5 13.203 3.163 -11.426 1.00 32.14 C ATOM 69 CD1 TYR A 5 12.694 2.806 -12.668 1.00 74.42 C ATOM 70 CD2 TYR A 5 13.717 4.444 -11.273 1.00 4.35 C ATOM 71 CE1 TYR A 5 12.697 3.696 -13.724 1.00 54.23 C ATOM 72 CE2 TYR A 5 13.723 5.342 -12.323 1.00 20.15 C ATOM 73 CZ TYR A 5 13.212 4.963 -13.546 1.00 52.23 C ATOM 74 OH TYR A 5 13.217 5.854 -14.595 1.00 40.02 O ATOM 0 H TYR A 5 12.019 2.698 -8.110 1.00 72.20 H new ATOM 0 HA TYR A 5 11.126 1.870 -10.747 1.00 14.24 H new ATOM 0 HB2 TYR A 5 13.629 2.667 -9.396 1.00 51.12 H new ATOM 0 HB3 TYR A 5 13.842 1.340 -10.521 1.00 51.12 H new ATOM 0 HD1 TYR A 5 12.289 1.815 -12.810 1.00 74.42 H new ATOM 0 HD2 TYR A 5 14.119 4.744 -10.316 1.00 4.35 H new ATOM 0 HE1 TYR A 5 12.298 3.402 -14.684 1.00 54.23 H new ATOM 0 HE2 TYR A 5 14.126 6.335 -12.186 1.00 20.15 H new ATOM 0 HH TYR A 5 14.053 5.763 -15.098 1.00 40.02 H new ATOM 84 N ILE A 6 10.855 -0.548 -10.231 1.00 12.31 N ATOM 85 CA ILE A 6 10.785 -1.998 -10.099 1.00 41.44 C ATOM 86 C ILE A 6 11.999 -2.666 -10.736 1.00 31.32 C ATOM 87 O ILE A 6 12.546 -2.173 -11.721 1.00 64.13 O ATOM 88 CB ILE A 6 9.505 -2.561 -10.745 1.00 44.33 C ATOM 89 CG1 ILE A 6 9.481 -4.087 -10.635 1.00 1.51 C ATOM 90 CG2 ILE A 6 9.412 -2.128 -12.201 1.00 3.11 C ATOM 91 CD1 ILE A 6 8.107 -4.685 -10.841 1.00 24.52 C ATOM 0 H ILE A 6 10.082 -0.134 -10.752 1.00 12.31 H new ATOM 0 HA ILE A 6 10.770 -2.218 -9.032 1.00 41.44 H new ATOM 0 HB ILE A 6 8.641 -2.163 -10.212 1.00 44.33 H new ATOM 0 HG12 ILE A 6 10.166 -4.507 -11.372 1.00 1.51 H new ATOM 0 HG13 ILE A 6 9.852 -4.378 -9.652 1.00 1.51 H new ATOM 0 HG21 ILE A 6 8.502 -2.534 -12.644 1.00 3.11 H new ATOM 0 HG22 ILE A 6 9.388 -1.040 -12.256 1.00 3.11 H new ATOM 0 HG23 ILE A 6 10.279 -2.500 -12.747 1.00 3.11 H new ATOM 0 HD11 ILE A 6 8.165 -5.770 -10.749 1.00 24.52 H new ATOM 0 HD12 ILE A 6 7.423 -4.293 -10.088 1.00 24.52 H new ATOM 0 HD13 ILE A 6 7.742 -4.424 -11.834 1.00 24.52 H new ATOM 103 N ALA A 7 12.413 -3.793 -10.166 1.00 61.42 N ATOM 104 CA ALA A 7 13.560 -4.532 -10.680 1.00 34.41 C ATOM 105 C ALA A 7 13.460 -6.013 -10.329 1.00 63.12 C ATOM 106 O ALA A 7 12.572 -6.427 -9.584 1.00 23.23 O ATOM 107 CB ALA A 7 14.853 -3.945 -10.136 1.00 3.23 C ATOM 0 H ALA A 7 11.972 -4.214 -9.349 1.00 61.42 H new ATOM 0 HA ALA A 7 13.562 -4.442 -11.766 1.00 34.41 H new ATOM 0 HB1 ALA A 7 15.701 -4.507 -10.528 1.00 3.23 H new ATOM 0 HB2 ALA A 7 14.936 -2.902 -10.442 1.00 3.23 H new ATOM 0 HB3 ALA A 7 14.850 -4.005 -9.048 1.00 3.23 H new ATOM 113 N LYS A 8 14.377 -6.808 -10.872 1.00 12.43 N ATOM 114 CA LYS A 8 14.394 -8.243 -10.616 1.00 74.02 C ATOM 115 C LYS A 8 15.691 -8.658 -9.931 1.00 24.53 C ATOM 116 O LYS A 8 16.770 -8.142 -10.225 1.00 14.05 O ATOM 117 CB LYS A 8 14.226 -9.017 -11.926 1.00 13.03 C ATOM 118 CG LYS A 8 15.296 -8.706 -12.958 1.00 11.14 C ATOM 119 CD LYS A 8 16.463 -9.673 -12.859 1.00 64.51 C ATOM 120 CE LYS A 8 16.939 -10.115 -14.235 1.00 3.33 C ATOM 121 NZ LYS A 8 16.231 -11.339 -14.700 1.00 25.50 N ATOM 0 H LYS A 8 15.118 -6.482 -11.492 1.00 12.43 H new ATOM 0 HA LYS A 8 13.562 -8.479 -9.952 1.00 74.02 H new ATOM 0 HB2 LYS A 8 14.240 -10.086 -11.711 1.00 13.03 H new ATOM 0 HB3 LYS A 8 13.248 -8.790 -12.350 1.00 13.03 H new ATOM 0 HG2 LYS A 8 14.864 -8.756 -13.958 1.00 11.14 H new ATOM 0 HG3 LYS A 8 15.654 -7.686 -12.816 1.00 11.14 H new ATOM 0 HD2 LYS A 8 17.285 -9.199 -12.323 1.00 64.51 H new ATOM 0 HD3 LYS A 8 16.165 -10.546 -12.278 1.00 64.51 H new ATOM 0 HE2 LYS A 8 16.779 -9.309 -14.951 1.00 3.33 H new ATOM 0 HE3 LYS A 8 18.012 -10.306 -14.204 1.00 3.33 H new ATOM 0 HZ1 LYS A 8 16.584 -11.608 -15.641 1.00 25.50 H new ATOM 0 HZ2 LYS A 8 16.404 -12.116 -14.030 1.00 25.50 H new ATOM 0 HZ3 LYS A 8 15.210 -11.150 -14.754 1.00 25.50 H new ATOM 135 N PRO A 9 15.588 -9.615 -8.996 1.00 0.10 N ATOM 136 CA PRO A 9 16.744 -10.122 -8.251 1.00 63.02 C ATOM 137 C PRO A 9 17.684 -10.943 -9.128 1.00 34.42 C ATOM 138 O PRO A 9 17.279 -11.466 -10.166 1.00 22.34 O ATOM 139 CB PRO A 9 16.112 -11.004 -7.172 1.00 71.30 C ATOM 140 CG PRO A 9 14.803 -11.424 -7.745 1.00 73.54 C ATOM 141 CD PRO A 9 14.335 -10.275 -8.595 1.00 35.24 C ATOM 0 HA PRO A 9 17.359 -9.314 -7.854 1.00 63.02 H new ATOM 0 HB2 PRO A 9 16.740 -11.866 -6.947 1.00 71.30 H new ATOM 0 HB3 PRO A 9 15.978 -10.455 -6.240 1.00 71.30 H new ATOM 0 HG2 PRO A 9 14.910 -12.331 -8.340 1.00 73.54 H new ATOM 0 HG3 PRO A 9 14.084 -11.644 -6.956 1.00 73.54 H new ATOM 0 HD2 PRO A 9 13.768 -10.620 -9.460 1.00 35.24 H new ATOM 0 HD3 PRO A 9 13.686 -9.600 -8.037 1.00 35.24 H new ATOM 149 N GLU A 10 18.938 -11.052 -8.703 1.00 25.44 N ATOM 150 CA GLU A 10 19.383 -10.420 -7.466 1.00 42.45 C ATOM 151 C GLU A 10 19.784 -8.968 -7.712 1.00 51.21 C ATOM 152 O GLU A 10 20.769 -8.692 -8.396 1.00 14.11 O ATOM 153 CB GLU A 10 20.561 -11.191 -6.868 1.00 2.03 C ATOM 154 CG GLU A 10 20.372 -11.551 -5.404 1.00 33.42 C ATOM 155 CD GLU A 10 19.896 -12.978 -5.211 1.00 62.32 C ATOM 156 OE1 GLU A 10 20.752 -13.885 -5.141 1.00 33.10 O ATOM 157 OE2 GLU A 10 18.668 -13.188 -5.130 1.00 54.34 O ATOM 0 H GLU A 10 19.664 -11.572 -9.196 1.00 25.44 H new ATOM 0 HA GLU A 10 18.552 -10.436 -6.760 1.00 42.45 H new ATOM 0 HB2 GLU A 10 20.715 -12.105 -7.441 1.00 2.03 H new ATOM 0 HB3 GLU A 10 21.466 -10.593 -6.973 1.00 2.03 H new ATOM 0 HG2 GLU A 10 21.315 -11.412 -4.875 1.00 33.42 H new ATOM 0 HG3 GLU A 10 19.651 -10.868 -4.956 1.00 33.42 H new ATOM 164 N ASN A 11 19.012 -8.044 -7.149 1.00 40.31 N ATOM 165 CA ASN A 11 19.285 -6.620 -7.307 1.00 40.15 C ATOM 166 C ASN A 11 19.716 -6.304 -8.737 1.00 32.24 C ATOM 167 O ASN A 11 20.878 -5.988 -8.991 1.00 24.20 O ATOM 168 CB ASN A 11 20.371 -6.175 -6.326 1.00 30.34 C ATOM 169 CG ASN A 11 20.208 -4.729 -5.899 1.00 34.32 C ATOM 170 OD1 ASN A 11 19.104 -4.183 -5.925 1.00 65.54 O ATOM 171 ND2 ASN A 11 21.309 -4.102 -5.502 1.00 53.45 N ATOM 0 H ASN A 11 18.193 -8.256 -6.580 1.00 40.31 H new ATOM 0 HA ASN A 11 18.366 -6.074 -7.094 1.00 40.15 H new ATOM 0 HB2 ASN A 11 20.345 -6.816 -5.445 1.00 30.34 H new ATOM 0 HB3 ASN A 11 21.350 -6.306 -6.788 1.00 30.34 H new ATOM 0 HD21 ASN A 11 21.261 -3.128 -5.202 1.00 53.45 H new ATOM 0 HD22 ASN A 11 22.202 -4.594 -5.497 1.00 53.45 H new ATOM 178 N CYS A 12 18.771 -6.391 -9.667 1.00 34.55 N ATOM 179 CA CYS A 12 19.050 -6.115 -11.070 1.00 65.44 C ATOM 180 C CYS A 12 17.949 -5.258 -11.686 1.00 54.03 C ATOM 181 O CYS A 12 16.761 -5.523 -11.497 1.00 4.14 O ATOM 182 CB CYS A 12 19.190 -7.424 -11.851 1.00 42.31 C ATOM 183 SG CYS A 12 20.904 -7.837 -12.309 1.00 44.21 S ATOM 0 H CYS A 12 17.804 -6.651 -9.473 1.00 34.55 H new ATOM 0 HA CYS A 12 19.989 -5.564 -11.126 1.00 65.44 H new ATOM 0 HB2 CYS A 12 18.779 -8.237 -11.253 1.00 42.31 H new ATOM 0 HB3 CYS A 12 18.588 -7.360 -12.758 1.00 42.31 H new ATOM 188 N VAL A 13 18.351 -4.229 -12.425 1.00 54.23 N ATOM 189 CA VAL A 13 17.398 -3.333 -13.071 1.00 5.23 C ATOM 190 C VAL A 13 16.628 -4.051 -14.173 1.00 22.11 C ATOM 191 O VAL A 13 17.033 -5.119 -14.633 1.00 33.23 O ATOM 192 CB VAL A 13 18.104 -2.102 -13.671 1.00 31.12 C ATOM 193 CG1 VAL A 13 18.707 -1.243 -12.570 1.00 51.42 C ATOM 194 CG2 VAL A 13 19.170 -2.533 -14.667 1.00 11.51 C ATOM 0 H VAL A 13 19.330 -3.995 -12.591 1.00 54.23 H new ATOM 0 HA VAL A 13 16.701 -3.004 -12.301 1.00 5.23 H new ATOM 0 HB VAL A 13 17.364 -1.503 -14.202 1.00 31.12 H new ATOM 0 HG11 VAL A 13 19.201 -0.378 -13.013 1.00 51.42 H new ATOM 0 HG12 VAL A 13 17.918 -0.905 -11.898 1.00 51.42 H new ATOM 0 HG13 VAL A 13 19.435 -1.829 -12.009 1.00 51.42 H new ATOM 0 HG21 VAL A 13 19.659 -1.651 -15.081 1.00 11.51 H new ATOM 0 HG22 VAL A 13 19.910 -3.154 -14.162 1.00 11.51 H new ATOM 0 HG23 VAL A 13 18.706 -3.103 -15.472 1.00 11.51 H new ATOM 204 N TYR A 14 15.516 -3.458 -14.593 1.00 4.20 N ATOM 205 CA TYR A 14 14.687 -4.042 -15.641 1.00 4.23 C ATOM 206 C TYR A 14 14.481 -3.055 -16.786 1.00 10.13 C ATOM 207 O TYR A 14 13.573 -2.225 -16.748 1.00 30.43 O ATOM 208 CB TYR A 14 13.334 -4.469 -15.070 1.00 51.14 C ATOM 209 CG TYR A 14 12.996 -5.919 -15.334 1.00 52.24 C ATOM 210 CD1 TYR A 14 13.221 -6.489 -16.581 1.00 45.04 C ATOM 211 CD2 TYR A 14 12.450 -6.718 -14.338 1.00 20.22 C ATOM 212 CE1 TYR A 14 12.914 -7.813 -16.828 1.00 34.14 C ATOM 213 CE2 TYR A 14 12.140 -8.043 -14.575 1.00 25.44 C ATOM 214 CZ TYR A 14 12.374 -8.586 -15.821 1.00 32.21 C ATOM 215 OH TYR A 14 12.065 -9.906 -16.061 1.00 45.42 O ATOM 0 H TYR A 14 15.168 -2.573 -14.224 1.00 4.20 H new ATOM 0 HA TYR A 14 15.202 -4.920 -16.031 1.00 4.23 H new ATOM 0 HB2 TYR A 14 13.332 -4.294 -13.994 1.00 51.14 H new ATOM 0 HB3 TYR A 14 12.554 -3.839 -15.497 1.00 51.14 H new ATOM 0 HD1 TYR A 14 13.643 -5.886 -17.371 1.00 45.04 H new ATOM 0 HD2 TYR A 14 12.265 -6.296 -13.361 1.00 20.22 H new ATOM 0 HE1 TYR A 14 13.096 -8.240 -17.803 1.00 34.14 H new ATOM 0 HE2 TYR A 14 11.717 -8.651 -13.789 1.00 25.44 H new ATOM 0 HH TYR A 14 11.695 -10.308 -15.248 1.00 45.42 H new ATOM 225 N GLU A 15 15.331 -3.153 -17.803 1.00 50.21 N ATOM 226 CA GLU A 15 15.242 -2.269 -18.959 1.00 42.15 C ATOM 227 C GLU A 15 14.128 -2.716 -19.902 1.00 10.44 C ATOM 228 O GLU A 15 13.897 -3.911 -20.085 1.00 74.12 O ATOM 229 CB GLU A 15 16.576 -2.237 -19.708 1.00 41.04 C ATOM 230 CG GLU A 15 17.772 -1.970 -18.810 1.00 63.13 C ATOM 231 CD GLU A 15 19.094 -2.208 -19.514 1.00 5.44 C ATOM 232 OE1 GLU A 15 19.183 -1.920 -20.725 1.00 53.14 O ATOM 233 OE2 GLU A 15 20.041 -2.681 -18.851 1.00 63.41 O ATOM 0 H GLU A 15 16.088 -3.835 -17.850 1.00 50.21 H new ATOM 0 HA GLU A 15 15.010 -1.266 -18.600 1.00 42.15 H new ATOM 0 HB2 GLU A 15 16.720 -3.190 -20.217 1.00 41.04 H new ATOM 0 HB3 GLU A 15 16.532 -1.467 -20.479 1.00 41.04 H new ATOM 0 HG2 GLU A 15 17.733 -0.940 -18.456 1.00 63.13 H new ATOM 0 HG3 GLU A 15 17.712 -2.611 -17.931 1.00 63.13 H new ATOM 240 N CYS A 16 13.440 -1.747 -20.496 1.00 51.40 N ATOM 241 CA CYS A 16 12.349 -2.038 -21.418 1.00 41.34 C ATOM 242 C CYS A 16 12.252 -0.967 -22.501 1.00 41.13 C ATOM 243 O CYS A 16 13.098 -0.078 -22.588 1.00 1.14 O ATOM 244 CB CYS A 16 11.024 -2.133 -20.660 1.00 32.11 C ATOM 245 SG CYS A 16 10.554 -0.604 -19.788 1.00 25.22 S ATOM 0 H CYS A 16 13.619 -0.753 -20.355 1.00 51.40 H new ATOM 0 HA CYS A 16 12.556 -2.996 -21.896 1.00 41.34 H new ATOM 0 HB2 CYS A 16 10.234 -2.395 -21.363 1.00 32.11 H new ATOM 0 HB3 CYS A 16 11.089 -2.946 -19.937 1.00 32.11 H new ATOM 250 N GLY A 17 11.213 -1.059 -23.326 1.00 62.30 N ATOM 251 CA GLY A 17 11.024 -0.093 -24.392 1.00 61.01 C ATOM 252 C GLY A 17 10.776 -0.752 -25.735 1.00 2.15 C ATOM 253 O GLY A 17 9.944 -0.290 -26.516 1.00 12.04 O ATOM 0 H GLY A 17 10.499 -1.786 -23.275 1.00 62.30 H new ATOM 0 HA2 GLY A 17 10.181 0.554 -24.147 1.00 61.01 H new ATOM 0 HA3 GLY A 17 11.905 0.544 -24.461 1.00 61.01 H new ATOM 257 N ILE A 18 11.501 -1.832 -26.004 1.00 72.52 N ATOM 258 CA ILE A 18 11.355 -2.555 -27.262 1.00 3.21 C ATOM 259 C ILE A 18 10.022 -3.293 -27.321 1.00 25.44 C ATOM 260 O ILE A 18 9.413 -3.414 -28.384 1.00 34.34 O ATOM 261 CB ILE A 18 12.499 -3.566 -27.466 1.00 41.30 C ATOM 262 CG1 ILE A 18 12.356 -4.264 -28.820 1.00 31.43 C ATOM 263 CG2 ILE A 18 12.513 -4.585 -26.337 1.00 10.04 C ATOM 264 CD1 ILE A 18 12.357 -3.312 -29.995 1.00 4.44 C ATOM 0 H ILE A 18 12.195 -2.226 -25.369 1.00 72.52 H new ATOM 0 HA ILE A 18 11.391 -1.812 -28.059 1.00 3.21 H new ATOM 0 HB ILE A 18 13.447 -3.028 -27.454 1.00 41.30 H new ATOM 0 HG12 ILE A 18 13.172 -4.977 -28.940 1.00 31.43 H new ATOM 0 HG13 ILE A 18 11.429 -4.837 -28.828 1.00 31.43 H new ATOM 0 HG21 ILE A 18 13.327 -5.292 -26.495 1.00 10.04 H new ATOM 0 HG22 ILE A 18 12.658 -4.072 -25.386 1.00 10.04 H new ATOM 0 HG23 ILE A 18 11.564 -5.121 -26.319 1.00 10.04 H new ATOM 0 HD11 ILE A 18 12.252 -3.877 -30.921 1.00 4.44 H new ATOM 0 HD12 ILE A 18 11.525 -2.615 -29.899 1.00 4.44 H new ATOM 0 HD13 ILE A 18 13.295 -2.757 -30.013 1.00 4.44 H new ATOM 276 N THR A 19 9.574 -3.786 -26.170 1.00 15.50 N ATOM 277 CA THR A 19 8.313 -4.512 -26.089 1.00 54.25 C ATOM 278 C THR A 19 7.311 -3.778 -25.206 1.00 13.33 C ATOM 279 O THR A 19 6.105 -3.822 -25.450 1.00 44.34 O ATOM 280 CB THR A 19 8.519 -5.936 -25.539 1.00 55.32 C ATOM 281 OG1 THR A 19 9.833 -6.062 -24.986 1.00 1.44 O ATOM 282 CG2 THR A 19 8.323 -6.973 -26.635 1.00 13.22 C ATOM 0 H THR A 19 10.066 -3.695 -25.281 1.00 15.50 H new ATOM 0 HA THR A 19 7.920 -4.576 -27.104 1.00 54.25 H new ATOM 0 HB THR A 19 7.779 -6.111 -24.758 1.00 55.32 H new ATOM 0 HG1 THR A 19 9.955 -6.970 -24.637 1.00 1.44 H new ATOM 0 HG21 THR A 19 8.474 -7.971 -26.223 1.00 13.22 H new ATOM 0 HG22 THR A 19 7.312 -6.894 -27.034 1.00 13.22 H new ATOM 0 HG23 THR A 19 9.043 -6.798 -27.434 1.00 13.22 H new ATOM 290 N GLN A 20 7.817 -3.103 -24.179 1.00 25.34 N ATOM 291 CA GLN A 20 6.965 -2.360 -23.259 1.00 2.54 C ATOM 292 C GLN A 20 5.924 -3.274 -22.622 1.00 15.52 C ATOM 293 O GLN A 20 4.855 -3.502 -23.188 1.00 73.14 O ATOM 294 CB GLN A 20 6.272 -1.208 -23.990 1.00 23.34 C ATOM 295 CG GLN A 20 5.559 -0.239 -23.061 1.00 21.35 C ATOM 296 CD GLN A 20 4.373 0.436 -23.720 1.00 73.43 C ATOM 297 OE1 GLN A 20 4.431 0.815 -24.890 1.00 61.24 O ATOM 298 NE2 GLN A 20 3.287 0.589 -22.971 1.00 51.35 N ATOM 0 H GLN A 20 8.813 -3.056 -23.963 1.00 25.34 H new ATOM 0 HA GLN A 20 7.595 -1.952 -22.469 1.00 2.54 H new ATOM 0 HB2 GLN A 20 7.013 -0.661 -24.573 1.00 23.34 H new ATOM 0 HB3 GLN A 20 5.550 -1.619 -24.696 1.00 23.34 H new ATOM 0 HG2 GLN A 20 5.221 -0.775 -22.174 1.00 21.35 H new ATOM 0 HG3 GLN A 20 6.264 0.521 -22.725 1.00 21.35 H new ATOM 0 HE21 GLN A 20 3.283 0.260 -22.006 1.00 51.35 H new ATOM 0 HE22 GLN A 20 2.457 1.036 -23.361 1.00 51.35 H new ATOM 307 N ASP A 21 6.242 -3.794 -21.442 1.00 5.31 N ATOM 308 CA ASP A 21 5.334 -4.683 -20.727 1.00 53.34 C ATOM 309 C ASP A 21 5.412 -4.444 -19.223 1.00 35.34 C ATOM 310 O ASP A 21 5.098 -5.330 -18.426 1.00 5.51 O ATOM 311 CB ASP A 21 5.662 -6.143 -21.043 1.00 12.15 C ATOM 312 CG ASP A 21 4.419 -6.977 -21.282 1.00 53.14 C ATOM 313 OD1 ASP A 21 3.680 -6.677 -22.244 1.00 22.25 O ATOM 314 OD2 ASP A 21 4.184 -7.929 -20.509 1.00 10.25 O ATOM 0 H ASP A 21 7.123 -3.615 -20.960 1.00 5.31 H new ATOM 0 HA ASP A 21 4.318 -4.468 -21.058 1.00 53.34 H new ATOM 0 HB2 ASP A 21 6.300 -6.186 -21.926 1.00 12.15 H new ATOM 0 HB3 ASP A 21 6.230 -6.572 -20.217 1.00 12.15 H new ATOM 319 N CYS A 22 5.832 -3.243 -18.840 1.00 71.20 N ATOM 320 CA CYS A 22 5.953 -2.888 -17.431 1.00 51.33 C ATOM 321 C CYS A 22 4.592 -2.924 -16.742 1.00 72.42 C ATOM 322 O CYS A 22 4.450 -3.484 -15.656 1.00 13.10 O ATOM 323 CB CYS A 22 6.573 -1.497 -17.286 1.00 51.53 C ATOM 324 SG CYS A 22 8.095 -1.256 -18.258 1.00 0.12 S ATOM 0 H CYS A 22 6.094 -2.499 -19.486 1.00 71.20 H new ATOM 0 HA CYS A 22 6.603 -3.620 -16.952 1.00 51.33 H new ATOM 0 HB2 CYS A 22 5.839 -0.750 -17.589 1.00 51.53 H new ATOM 0 HB3 CYS A 22 6.794 -1.317 -16.234 1.00 51.53 H new ATOM 329 N ASN A 23 3.594 -2.324 -17.383 1.00 1.22 N ATOM 330 CA ASN A 23 2.244 -2.287 -16.832 1.00 22.31 C ATOM 331 C ASN A 23 1.725 -3.698 -16.572 1.00 14.14 C ATOM 332 O ASN A 23 1.101 -3.962 -15.543 1.00 61.23 O ATOM 333 CB ASN A 23 1.301 -1.552 -17.787 1.00 21.35 C ATOM 334 CG ASN A 23 0.232 -0.767 -17.052 1.00 51.20 C ATOM 335 OD1 ASN A 23 -0.048 0.384 -17.386 1.00 52.45 O ATOM 336 ND2 ASN A 23 -0.371 -1.388 -16.045 1.00 11.53 N ATOM 0 H ASN A 23 3.695 -1.857 -18.284 1.00 1.22 H new ATOM 0 HA ASN A 23 2.279 -1.751 -15.884 1.00 22.31 H new ATOM 0 HB2 ASN A 23 1.879 -0.874 -18.414 1.00 21.35 H new ATOM 0 HB3 ASN A 23 0.826 -2.274 -18.451 1.00 21.35 H new ATOM 0 HD21 ASN A 23 -1.099 -0.910 -15.513 1.00 11.53 H new ATOM 0 HD22 ASN A 23 -0.107 -2.343 -15.803 1.00 11.53 H new ATOM 343 N LYS A 24 1.986 -4.601 -17.510 1.00 61.31 N ATOM 344 CA LYS A 24 1.548 -5.986 -17.383 1.00 75.12 C ATOM 345 C LYS A 24 2.243 -6.672 -16.212 1.00 24.11 C ATOM 346 O LYS A 24 1.595 -7.289 -15.366 1.00 15.54 O ATOM 347 CB LYS A 24 1.829 -6.753 -18.677 1.00 43.54 C ATOM 348 CG LYS A 24 0.862 -7.896 -18.930 1.00 61.10 C ATOM 349 CD LYS A 24 -0.143 -7.547 -20.015 1.00 11.03 C ATOM 350 CE LYS A 24 0.309 -8.050 -21.377 1.00 23.42 C ATOM 351 NZ LYS A 24 -0.138 -7.152 -22.477 1.00 34.02 N ATOM 0 H LYS A 24 2.499 -4.399 -18.368 1.00 61.31 H new ATOM 0 HA LYS A 24 0.474 -5.985 -17.195 1.00 75.12 H new ATOM 0 HB2 LYS A 24 1.786 -6.060 -19.517 1.00 43.54 H new ATOM 0 HB3 LYS A 24 2.844 -7.148 -18.642 1.00 43.54 H new ATOM 0 HG2 LYS A 24 1.419 -8.787 -19.221 1.00 61.10 H new ATOM 0 HG3 LYS A 24 0.334 -8.138 -18.008 1.00 61.10 H new ATOM 0 HD2 LYS A 24 -1.112 -7.982 -19.769 1.00 11.03 H new ATOM 0 HD3 LYS A 24 -0.279 -6.466 -20.052 1.00 11.03 H new ATOM 0 HE2 LYS A 24 1.396 -8.129 -21.392 1.00 23.42 H new ATOM 0 HE3 LYS A 24 -0.086 -9.052 -21.543 1.00 23.42 H new ATOM 0 HZ1 LYS A 24 0.190 -7.530 -23.389 1.00 34.02 H new ATOM 0 HZ2 LYS A 24 -1.176 -7.096 -22.479 1.00 34.02 H new ATOM 0 HZ3 LYS A 24 0.260 -6.202 -22.333 1.00 34.02 H new ATOM 365 N LEU A 25 3.566 -6.560 -16.168 1.00 24.11 N ATOM 366 CA LEU A 25 4.351 -7.168 -15.099 1.00 34.52 C ATOM 367 C LEU A 25 3.941 -6.612 -13.739 1.00 5.21 C ATOM 368 O LEU A 25 3.657 -7.365 -12.808 1.00 20.45 O ATOM 369 CB LEU A 25 5.843 -6.927 -15.333 1.00 72.34 C ATOM 370 CG LEU A 25 6.800 -7.808 -14.529 1.00 73.02 C ATOM 371 CD1 LEU A 25 6.925 -9.182 -15.168 1.00 74.40 C ATOM 372 CD2 LEU A 25 8.165 -7.145 -14.414 1.00 33.43 C ATOM 0 H LEU A 25 4.118 -6.054 -16.860 1.00 24.11 H new ATOM 0 HA LEU A 25 4.158 -8.241 -15.106 1.00 34.52 H new ATOM 0 HB2 LEU A 25 6.052 -7.072 -16.393 1.00 72.34 H new ATOM 0 HB3 LEU A 25 6.062 -5.884 -15.104 1.00 72.34 H new ATOM 0 HG LEU A 25 6.393 -7.933 -13.526 1.00 73.02 H new ATOM 0 HD11 LEU A 25 7.610 -9.795 -14.582 1.00 74.40 H new ATOM 0 HD12 LEU A 25 5.946 -9.660 -15.198 1.00 74.40 H new ATOM 0 HD13 LEU A 25 7.309 -9.078 -16.183 1.00 74.40 H new ATOM 0 HD21 LEU A 25 8.833 -7.786 -13.839 1.00 33.43 H new ATOM 0 HD22 LEU A 25 8.579 -6.990 -15.410 1.00 33.43 H new ATOM 0 HD23 LEU A 25 8.061 -6.184 -13.910 1.00 33.43 H new ATOM 384 N CYS A 26 3.912 -5.288 -13.632 1.00 51.41 N ATOM 385 CA CYS A 26 3.536 -4.629 -12.387 1.00 51.53 C ATOM 386 C CYS A 26 2.181 -5.128 -11.895 1.00 33.40 C ATOM 387 O CYS A 26 2.037 -5.535 -10.741 1.00 43.33 O ATOM 388 CB CYS A 26 3.492 -3.112 -12.582 1.00 2.41 C ATOM 389 SG CYS A 26 4.235 -2.165 -11.214 1.00 45.14 S ATOM 0 H CYS A 26 4.145 -4.650 -14.393 1.00 51.41 H new ATOM 0 HA CYS A 26 4.288 -4.871 -11.636 1.00 51.53 H new ATOM 0 HB2 CYS A 26 4.010 -2.860 -13.507 1.00 2.41 H new ATOM 0 HB3 CYS A 26 2.454 -2.802 -12.703 1.00 2.41 H new ATOM 394 N THR A 27 1.188 -5.096 -12.778 1.00 54.12 N ATOM 395 CA THR A 27 -0.156 -5.544 -12.435 1.00 21.24 C ATOM 396 C THR A 27 -0.152 -7.002 -11.989 1.00 60.13 C ATOM 397 O THR A 27 -0.696 -7.341 -10.939 1.00 1.41 O ATOM 398 CB THR A 27 -1.123 -5.385 -13.623 1.00 45.12 C ATOM 399 OG1 THR A 27 -0.509 -5.870 -14.822 1.00 63.54 O ATOM 400 CG2 THR A 27 -1.521 -3.928 -13.805 1.00 62.14 C ATOM 0 H THR A 27 1.289 -4.764 -13.737 1.00 54.12 H new ATOM 0 HA THR A 27 -0.498 -4.916 -11.613 1.00 21.24 H new ATOM 0 HB THR A 27 -2.020 -5.967 -13.413 1.00 45.12 H new ATOM 0 HG1 THR A 27 -0.155 -5.115 -15.337 1.00 63.54 H new ATOM 0 HG21 THR A 27 -2.204 -3.840 -14.650 1.00 62.14 H new ATOM 0 HG22 THR A 27 -2.014 -3.570 -12.901 1.00 62.14 H new ATOM 0 HG23 THR A 27 -0.631 -3.329 -13.995 1.00 62.14 H new ATOM 408 N GLU A 28 0.466 -7.861 -12.795 1.00 15.50 N ATOM 409 CA GLU A 28 0.539 -9.283 -12.482 1.00 43.13 C ATOM 410 C GLU A 28 1.187 -9.507 -11.119 1.00 33.23 C ATOM 411 O GLU A 28 0.872 -10.471 -10.422 1.00 11.34 O ATOM 412 CB GLU A 28 1.329 -10.025 -13.562 1.00 43.14 C ATOM 413 CG GLU A 28 2.717 -10.452 -13.116 1.00 24.21 C ATOM 414 CD GLU A 28 3.572 -10.951 -14.265 1.00 1.21 C ATOM 415 OE1 GLU A 28 3.012 -11.222 -15.348 1.00 2.44 O ATOM 416 OE2 GLU A 28 4.802 -11.070 -14.081 1.00 14.14 O ATOM 0 H GLU A 28 0.922 -7.597 -13.668 1.00 15.50 H new ATOM 0 HA GLU A 28 -0.478 -9.675 -12.451 1.00 43.13 H new ATOM 0 HB2 GLU A 28 0.768 -10.908 -13.869 1.00 43.14 H new ATOM 0 HB3 GLU A 28 1.420 -9.384 -14.439 1.00 43.14 H new ATOM 0 HG2 GLU A 28 3.215 -9.610 -12.636 1.00 24.21 H new ATOM 0 HG3 GLU A 28 2.628 -11.238 -12.366 1.00 24.21 H new ATOM 423 N ASN A 29 2.094 -8.610 -10.746 1.00 73.10 N ATOM 424 CA ASN A 29 2.787 -8.710 -9.467 1.00 31.02 C ATOM 425 C ASN A 29 1.861 -8.328 -8.315 1.00 65.44 C ATOM 426 O ASN A 29 2.050 -8.768 -7.182 1.00 2.52 O ATOM 427 CB ASN A 29 4.024 -7.810 -9.462 1.00 12.54 C ATOM 428 CG ASN A 29 5.294 -8.570 -9.792 1.00 53.32 C ATOM 429 OD1 ASN A 29 6.091 -8.882 -8.908 1.00 22.40 O ATOM 430 ND2 ASN A 29 5.487 -8.871 -11.071 1.00 41.41 N ATOM 0 H ASN A 29 2.366 -7.806 -11.311 1.00 73.10 H new ATOM 0 HA ASN A 29 3.099 -9.746 -9.331 1.00 31.02 H new ATOM 0 HB2 ASN A 29 3.887 -7.005 -10.185 1.00 12.54 H new ATOM 0 HB3 ASN A 29 4.127 -7.344 -8.482 1.00 12.54 H new ATOM 0 HD21 ASN A 29 6.324 -9.381 -11.354 1.00 41.41 H new ATOM 0 HD22 ASN A 29 4.799 -8.592 -11.770 1.00 41.41 H new ATOM 437 N GLY A 30 0.859 -7.507 -8.616 1.00 25.45 N ATOM 438 CA GLY A 30 -0.081 -7.081 -7.596 1.00 2.32 C ATOM 439 C GLY A 30 0.013 -5.596 -7.305 1.00 63.02 C ATOM 440 O GLY A 30 -0.563 -5.109 -6.333 1.00 23.43 O ATOM 0 H GLY A 30 0.682 -7.130 -9.547 1.00 25.45 H new ATOM 0 HA2 GLY A 30 -1.094 -7.322 -7.917 1.00 2.32 H new ATOM 0 HA3 GLY A 30 0.104 -7.640 -6.679 1.00 2.32 H new ATOM 444 N ALA A 31 0.743 -4.874 -8.150 1.00 21.53 N ATOM 445 CA ALA A 31 0.910 -3.437 -7.979 1.00 5.43 C ATOM 446 C ALA A 31 -0.303 -2.676 -8.503 1.00 62.44 C ATOM 447 O ALA A 31 -1.185 -3.258 -9.134 1.00 12.21 O ATOM 448 CB ALA A 31 2.175 -2.965 -8.681 1.00 23.31 C ATOM 0 H ALA A 31 1.228 -5.262 -8.959 1.00 21.53 H new ATOM 0 HA ALA A 31 1.001 -3.232 -6.912 1.00 5.43 H new ATOM 0 HB1 ALA A 31 2.287 -1.889 -8.545 1.00 23.31 H new ATOM 0 HB2 ALA A 31 3.039 -3.476 -8.257 1.00 23.31 H new ATOM 0 HB3 ALA A 31 2.106 -3.191 -9.745 1.00 23.31 H new ATOM 454 N GLU A 32 -0.340 -1.374 -8.238 1.00 61.31 N ATOM 455 CA GLU A 32 -1.447 -0.536 -8.683 1.00 42.11 C ATOM 456 C GLU A 32 -1.295 -0.172 -10.157 1.00 75.44 C ATOM 457 O GLU A 32 -2.213 -0.371 -10.954 1.00 2.30 O ATOM 458 CB GLU A 32 -1.523 0.737 -7.838 1.00 13.22 C ATOM 459 CG GLU A 32 -2.842 1.480 -7.974 1.00 21.11 C ATOM 460 CD GLU A 32 -2.731 2.708 -8.857 1.00 35.22 C ATOM 461 OE1 GLU A 32 -1.844 3.547 -8.596 1.00 13.30 O ATOM 462 OE2 GLU A 32 -3.532 2.830 -9.808 1.00 24.54 O ATOM 0 H GLU A 32 0.383 -0.877 -7.718 1.00 61.31 H new ATOM 0 HA GLU A 32 -2.370 -1.102 -8.559 1.00 42.11 H new ATOM 0 HB2 GLU A 32 -1.368 0.478 -6.791 1.00 13.22 H new ATOM 0 HB3 GLU A 32 -0.709 1.403 -8.125 1.00 13.22 H new ATOM 0 HG2 GLU A 32 -3.593 0.807 -8.387 1.00 21.11 H new ATOM 0 HG3 GLU A 32 -3.190 1.778 -6.985 1.00 21.11 H new ATOM 469 N SER A 33 -0.131 0.361 -10.513 1.00 12.53 N ATOM 470 CA SER A 33 0.140 0.757 -11.890 1.00 12.22 C ATOM 471 C SER A 33 1.606 0.526 -12.243 1.00 11.11 C ATOM 472 O SER A 33 2.441 0.313 -11.365 1.00 63.14 O ATOM 473 CB SER A 33 -0.221 2.229 -12.100 1.00 74.12 C ATOM 474 OG SER A 33 -1.302 2.364 -13.007 1.00 0.21 O ATOM 0 H SER A 33 0.640 0.529 -9.867 1.00 12.53 H new ATOM 0 HA SER A 33 -0.475 0.142 -12.547 1.00 12.22 H new ATOM 0 HB2 SER A 33 -0.485 2.682 -11.144 1.00 74.12 H new ATOM 0 HB3 SER A 33 0.646 2.769 -12.480 1.00 74.12 H new ATOM 0 HG SER A 33 -1.515 3.314 -13.123 1.00 0.21 H new ATOM 480 N GLY A 34 1.911 0.570 -13.536 1.00 53.05 N ATOM 481 CA GLY A 34 3.276 0.364 -13.984 1.00 75.44 C ATOM 482 C GLY A 34 3.469 0.731 -15.442 1.00 61.12 C ATOM 483 O GLY A 34 2.563 0.559 -16.258 1.00 43.44 O ATOM 0 H GLY A 34 1.237 0.745 -14.282 1.00 53.05 H new ATOM 0 HA2 GLY A 34 3.951 0.961 -13.370 1.00 75.44 H new ATOM 0 HA3 GLY A 34 3.550 -0.681 -13.836 1.00 75.44 H new ATOM 487 N TYR A 35 4.652 1.239 -15.771 1.00 13.15 N ATOM 488 CA TYR A 35 4.960 1.636 -17.139 1.00 73.33 C ATOM 489 C TYR A 35 6.468 1.679 -17.368 1.00 14.44 C ATOM 490 O TYR A 35 7.254 1.443 -16.450 1.00 13.02 O ATOM 491 CB TYR A 35 4.346 3.003 -17.447 1.00 24.23 C ATOM 492 CG TYR A 35 4.564 4.024 -16.353 1.00 32.21 C ATOM 493 CD1 TYR A 35 5.836 4.503 -16.066 1.00 42.11 C ATOM 494 CD2 TYR A 35 3.498 4.509 -15.606 1.00 34.54 C ATOM 495 CE1 TYR A 35 6.040 5.435 -15.067 1.00 51.42 C ATOM 496 CE2 TYR A 35 3.692 5.442 -14.606 1.00 33.10 C ATOM 497 CZ TYR A 35 4.965 5.902 -14.340 1.00 54.14 C ATOM 498 OH TYR A 35 5.162 6.831 -13.344 1.00 63.24 O ATOM 0 H TYR A 35 5.413 1.385 -15.108 1.00 13.15 H new ATOM 0 HA TYR A 35 4.530 0.893 -17.811 1.00 73.33 H new ATOM 0 HB2 TYR A 35 4.771 3.382 -18.376 1.00 24.23 H new ATOM 0 HB3 TYR A 35 3.275 2.882 -17.612 1.00 24.23 H new ATOM 0 HD1 TYR A 35 6.680 4.140 -16.634 1.00 42.11 H new ATOM 0 HD2 TYR A 35 2.500 4.150 -15.811 1.00 34.54 H new ATOM 0 HE1 TYR A 35 7.036 5.796 -14.856 1.00 51.42 H new ATOM 0 HE2 TYR A 35 2.852 5.809 -14.036 1.00 33.10 H new ATOM 0 HH TYR A 35 5.671 6.423 -12.612 1.00 63.24 H new ATOM 508 N CYS A 36 6.864 1.984 -18.599 1.00 3.24 N ATOM 509 CA CYS A 36 8.277 2.060 -18.951 1.00 20.04 C ATOM 510 C CYS A 36 8.779 3.499 -18.880 1.00 53.44 C ATOM 511 O CYS A 36 8.415 4.334 -19.708 1.00 14.42 O ATOM 512 CB CYS A 36 8.505 1.497 -20.355 1.00 22.34 C ATOM 513 SG CYS A 36 8.565 -0.323 -20.425 1.00 50.32 S ATOM 0 H CYS A 36 6.226 2.183 -19.370 1.00 3.24 H new ATOM 0 HA CYS A 36 8.838 1.463 -18.232 1.00 20.04 H new ATOM 0 HB2 CYS A 36 7.708 1.849 -21.010 1.00 22.34 H new ATOM 0 HB3 CYS A 36 9.440 1.896 -20.748 1.00 22.34 H new ATOM 518 N GLN A 37 9.616 3.781 -17.887 1.00 60.42 N ATOM 519 CA GLN A 37 10.167 5.119 -17.709 1.00 61.30 C ATOM 520 C GLN A 37 11.376 5.334 -18.613 1.00 41.54 C ATOM 521 O GLN A 37 12.512 5.063 -18.223 1.00 15.22 O ATOM 522 CB GLN A 37 10.562 5.340 -16.248 1.00 2.10 C ATOM 523 CG GLN A 37 10.502 6.796 -15.815 1.00 43.24 C ATOM 524 CD GLN A 37 9.115 7.217 -15.373 1.00 74.10 C ATOM 525 OE1 GLN A 37 8.227 7.435 -16.198 1.00 41.51 O ATOM 526 NE2 GLN A 37 8.920 7.333 -14.065 1.00 32.34 N ATOM 0 H GLN A 37 9.927 3.101 -17.194 1.00 60.42 H new ATOM 0 HA GLN A 37 9.398 5.841 -17.983 1.00 61.30 H new ATOM 0 HB2 GLN A 37 9.903 4.752 -15.609 1.00 2.10 H new ATOM 0 HB3 GLN A 37 11.574 4.965 -16.093 1.00 2.10 H new ATOM 0 HG2 GLN A 37 11.204 6.957 -14.997 1.00 43.24 H new ATOM 0 HG3 GLN A 37 10.824 7.430 -16.641 1.00 43.24 H new ATOM 0 HE21 GLN A 37 9.684 7.143 -13.417 1.00 32.34 H new ATOM 0 HE22 GLN A 37 8.006 7.612 -13.708 1.00 32.34 H new ATOM 535 N TRP A 38 11.124 5.823 -19.822 1.00 43.12 N ATOM 536 CA TRP A 38 12.193 6.075 -20.782 1.00 70.25 C ATOM 537 C TRP A 38 12.822 7.444 -20.551 1.00 13.33 C ATOM 538 O TRP A 38 12.444 8.427 -21.187 1.00 14.01 O ATOM 539 CB TRP A 38 11.655 5.982 -22.211 1.00 50.03 C ATOM 540 CG TRP A 38 12.019 4.702 -22.901 1.00 43.33 C ATOM 541 CD1 TRP A 38 12.269 3.496 -22.312 1.00 73.21 C ATOM 542 CD2 TRP A 38 12.177 4.503 -24.310 1.00 51.33 C ATOM 543 NE1 TRP A 38 12.572 2.559 -23.270 1.00 71.41 N ATOM 544 CE2 TRP A 38 12.521 3.151 -24.504 1.00 44.20 C ATOM 545 CE3 TRP A 38 12.058 5.335 -25.427 1.00 65.32 C ATOM 546 CZ2 TRP A 38 12.749 2.615 -25.769 1.00 2.33 C ATOM 547 CZ3 TRP A 38 12.285 4.801 -26.682 1.00 1.34 C ATOM 548 CH2 TRP A 38 12.626 3.452 -26.844 1.00 45.15 C ATOM 0 H TRP A 38 10.190 6.053 -20.161 1.00 43.12 H new ATOM 0 HA TRP A 38 12.961 5.315 -20.640 1.00 70.25 H new ATOM 0 HB2 TRP A 38 10.570 6.079 -22.190 1.00 50.03 H new ATOM 0 HB3 TRP A 38 12.039 6.821 -22.791 1.00 50.03 H new ATOM 0 HD1 TRP A 38 12.234 3.306 -21.249 1.00 73.21 H new ATOM 0 HE1 TRP A 38 12.798 1.581 -23.091 1.00 71.41 H new ATOM 0 HE3 TRP A 38 11.794 6.376 -25.312 1.00 65.32 H new ATOM 0 HZ2 TRP A 38 13.013 1.576 -25.897 1.00 2.33 H new ATOM 0 HZ3 TRP A 38 12.198 5.435 -27.552 1.00 1.34 H new ATOM 0 HH2 TRP A 38 12.795 3.065 -27.838 1.00 45.15 H new ATOM 559 N GLY A 39 13.784 7.502 -19.635 1.00 63.12 N ATOM 560 CA GLY A 39 14.450 8.756 -19.336 1.00 53.44 C ATOM 561 C GLY A 39 14.478 9.059 -17.851 1.00 75.33 C ATOM 562 O GLY A 39 13.737 9.916 -17.371 1.00 61.21 O ATOM 0 H GLY A 39 14.114 6.702 -19.095 1.00 63.12 H new ATOM 0 HA2 GLY A 39 15.471 8.721 -19.716 1.00 53.44 H new ATOM 0 HA3 GLY A 39 13.943 9.567 -19.859 1.00 53.44 H new ATOM 566 N GLY A 40 15.334 8.351 -17.121 1.00 31.04 N ATOM 567 CA GLY A 40 15.438 8.561 -15.688 1.00 54.45 C ATOM 568 C GLY A 40 16.870 8.505 -15.196 1.00 62.54 C ATOM 569 O GLY A 40 17.810 8.636 -15.981 1.00 21.42 O ATOM 0 H GLY A 40 15.957 7.636 -17.496 1.00 31.04 H new ATOM 0 HA2 GLY A 40 15.007 9.530 -15.434 1.00 54.45 H new ATOM 0 HA3 GLY A 40 14.849 7.804 -15.169 1.00 54.45 H new ATOM 573 N LYS A 41 17.039 8.310 -13.893 1.00 1.01 N ATOM 574 CA LYS A 41 18.367 8.236 -13.296 1.00 2.45 C ATOM 575 C LYS A 41 19.242 7.231 -14.037 1.00 21.54 C ATOM 576 O LYS A 41 20.348 7.555 -14.469 1.00 4.33 O ATOM 577 CB LYS A 41 18.264 7.848 -11.819 1.00 11.11 C ATOM 578 CG LYS A 41 19.157 8.673 -10.909 1.00 2.30 C ATOM 579 CD LYS A 41 20.455 7.949 -10.596 1.00 25.35 C ATOM 580 CE LYS A 41 21.486 8.888 -9.988 1.00 53.41 C ATOM 581 NZ LYS A 41 22.616 8.145 -9.366 1.00 62.13 N ATOM 0 H LYS A 41 16.272 8.200 -13.230 1.00 1.01 H new ATOM 0 HA LYS A 41 18.829 9.220 -13.375 1.00 2.45 H new ATOM 0 HB2 LYS A 41 17.229 7.957 -11.495 1.00 11.11 H new ATOM 0 HB3 LYS A 41 18.523 6.795 -11.710 1.00 11.11 H new ATOM 0 HG2 LYS A 41 19.378 9.629 -11.384 1.00 2.30 H new ATOM 0 HG3 LYS A 41 18.629 8.893 -9.981 1.00 2.30 H new ATOM 0 HD2 LYS A 41 20.258 7.128 -9.906 1.00 25.35 H new ATOM 0 HD3 LYS A 41 20.856 7.509 -11.509 1.00 25.35 H new ATOM 0 HE2 LYS A 41 21.871 9.554 -10.761 1.00 53.41 H new ATOM 0 HE3 LYS A 41 21.007 9.515 -9.236 1.00 53.41 H new ATOM 0 HZ1 LYS A 41 23.296 8.821 -8.963 1.00 62.13 H new ATOM 0 HZ2 LYS A 41 22.253 7.529 -8.611 1.00 62.13 H new ATOM 0 HZ3 LYS A 41 23.090 7.566 -10.088 1.00 62.13 H new ATOM 595 N TYR A 42 18.739 6.010 -14.181 1.00 62.33 N ATOM 596 CA TYR A 42 19.476 4.956 -14.870 1.00 13.34 C ATOM 597 C TYR A 42 19.039 4.849 -16.327 1.00 52.34 C ATOM 598 O TYR A 42 19.158 3.793 -16.947 1.00 42.44 O ATOM 599 CB TYR A 42 19.268 3.615 -14.164 1.00 4.23 C ATOM 600 CG TYR A 42 19.715 3.616 -12.719 1.00 62.22 C ATOM 601 CD1 TYR A 42 20.978 4.074 -12.362 1.00 54.24 C ATOM 602 CD2 TYR A 42 18.876 3.157 -11.711 1.00 51.35 C ATOM 603 CE1 TYR A 42 21.391 4.076 -11.044 1.00 55.11 C ATOM 604 CE2 TYR A 42 19.280 3.157 -10.390 1.00 71.15 C ATOM 605 CZ TYR A 42 20.538 3.617 -10.062 1.00 30.02 C ATOM 606 OH TYR A 42 20.945 3.617 -8.747 1.00 74.22 O ATOM 0 H TYR A 42 17.825 5.725 -13.830 1.00 62.33 H new ATOM 0 HA TYR A 42 20.535 5.212 -14.845 1.00 13.34 H new ATOM 0 HB2 TYR A 42 18.212 3.350 -14.209 1.00 4.23 H new ATOM 0 HB3 TYR A 42 19.814 2.841 -14.704 1.00 4.23 H new ATOM 0 HD1 TYR A 42 21.648 4.435 -13.129 1.00 54.24 H new ATOM 0 HD2 TYR A 42 17.891 2.794 -11.965 1.00 51.35 H new ATOM 0 HE1 TYR A 42 22.376 4.435 -10.784 1.00 55.11 H new ATOM 0 HE2 TYR A 42 18.614 2.799 -9.619 1.00 71.15 H new ATOM 0 HH TYR A 42 20.226 3.264 -8.182 1.00 74.22 H new ATOM 616 N GLY A 43 18.532 5.953 -16.869 1.00 72.31 N ATOM 617 CA GLY A 43 18.085 5.963 -18.250 1.00 12.52 C ATOM 618 C GLY A 43 16.714 5.340 -18.420 1.00 72.01 C ATOM 619 O GLY A 43 15.769 5.702 -17.720 1.00 71.24 O ATOM 0 H GLY A 43 18.423 6.840 -16.377 1.00 72.31 H new ATOM 0 HA2 GLY A 43 18.061 6.990 -18.614 1.00 12.52 H new ATOM 0 HA3 GLY A 43 18.805 5.423 -18.866 1.00 12.52 H new ATOM 623 N ASN A 44 16.604 4.401 -19.354 1.00 64.13 N ATOM 624 CA ASN A 44 15.338 3.727 -19.616 1.00 53.22 C ATOM 625 C ASN A 44 15.154 2.533 -18.685 1.00 21.30 C ATOM 626 O ASN A 44 15.866 1.534 -18.792 1.00 11.54 O ATOM 627 CB ASN A 44 15.273 3.266 -21.074 1.00 1.42 C ATOM 628 CG ASN A 44 16.532 2.540 -21.507 1.00 34.43 C ATOM 629 OD1 ASN A 44 16.652 1.327 -21.333 1.00 62.20 O ATOM 630 ND2 ASN A 44 17.477 3.280 -22.074 1.00 11.12 N ATOM 0 H ASN A 44 17.377 4.090 -19.942 1.00 64.13 H new ATOM 0 HA ASN A 44 14.532 4.437 -19.430 1.00 53.22 H new ATOM 0 HB2 ASN A 44 14.414 2.608 -21.206 1.00 1.42 H new ATOM 0 HB3 ASN A 44 15.115 4.130 -21.719 1.00 1.42 H new ATOM 0 HD21 ASN A 44 18.346 2.846 -22.386 1.00 11.12 H new ATOM 0 HD22 ASN A 44 17.334 4.282 -22.198 1.00 11.12 H new ATOM 637 N ALA A 45 14.194 2.643 -17.773 1.00 22.25 N ATOM 638 CA ALA A 45 13.915 1.571 -16.824 1.00 51.45 C ATOM 639 C ALA A 45 12.417 1.443 -16.567 1.00 24.12 C ATOM 640 O ALA A 45 11.671 2.415 -16.684 1.00 41.22 O ATOM 641 CB ALA A 45 14.658 1.815 -15.519 1.00 60.33 C ATOM 0 H ALA A 45 13.596 3.463 -17.671 1.00 22.25 H new ATOM 0 HA ALA A 45 14.264 0.634 -17.258 1.00 51.45 H new ATOM 0 HB1 ALA A 45 14.441 1.007 -14.820 1.00 60.33 H new ATOM 0 HB2 ALA A 45 15.730 1.849 -15.712 1.00 60.33 H new ATOM 0 HB3 ALA A 45 14.336 2.763 -15.089 1.00 60.33 H new ATOM 647 N CYS A 46 11.984 0.237 -16.216 1.00 34.03 N ATOM 648 CA CYS A 46 10.575 -0.020 -15.942 1.00 52.24 C ATOM 649 C CYS A 46 10.176 0.533 -14.577 1.00 51.33 C ATOM 650 O CYS A 46 10.682 0.092 -13.546 1.00 5.54 O ATOM 651 CB CYS A 46 10.288 -1.522 -16.000 1.00 50.40 C ATOM 652 SG CYS A 46 9.673 -2.100 -17.614 1.00 55.43 S ATOM 0 H CYS A 46 12.589 -0.578 -16.115 1.00 34.03 H new ATOM 0 HA CYS A 46 9.984 0.486 -16.706 1.00 52.24 H new ATOM 0 HB2 CYS A 46 11.201 -2.065 -15.755 1.00 50.40 H new ATOM 0 HB3 CYS A 46 9.554 -1.771 -15.233 1.00 50.40 H new ATOM 657 N TRP A 47 9.266 1.500 -14.580 1.00 55.23 N ATOM 658 CA TRP A 47 8.798 2.114 -13.342 1.00 62.43 C ATOM 659 C TRP A 47 7.513 1.451 -12.858 1.00 2.31 C ATOM 660 O TRP A 47 6.717 0.958 -13.658 1.00 3.41 O ATOM 661 CB TRP A 47 8.569 3.612 -13.546 1.00 52.04 C ATOM 662 CG TRP A 47 7.997 4.295 -12.341 1.00 3.02 C ATOM 663 CD1 TRP A 47 6.675 4.469 -12.047 1.00 51.25 C ATOM 664 CD2 TRP A 47 8.731 4.897 -11.269 1.00 32.45 C ATOM 665 NE1 TRP A 47 6.542 5.143 -10.857 1.00 62.12 N ATOM 666 CE2 TRP A 47 7.789 5.416 -10.359 1.00 33.40 C ATOM 667 CE3 TRP A 47 10.091 5.045 -10.987 1.00 5.51 C ATOM 668 CZ2 TRP A 47 8.166 6.072 -9.191 1.00 12.53 C ATOM 669 CZ3 TRP A 47 10.464 5.698 -9.827 1.00 62.12 C ATOM 670 CH2 TRP A 47 9.505 6.204 -8.940 1.00 53.23 C ATOM 0 H TRP A 47 8.837 1.876 -15.426 1.00 55.23 H new ATOM 0 HA TRP A 47 9.566 1.972 -12.582 1.00 62.43 H new ATOM 0 HB2 TRP A 47 9.516 4.085 -13.807 1.00 52.04 H new ATOM 0 HB3 TRP A 47 7.896 3.758 -14.391 1.00 52.04 H new ATOM 0 HD1 TRP A 47 5.854 4.127 -12.660 1.00 51.25 H new ATOM 0 HE1 TRP A 47 5.659 5.399 -10.416 1.00 62.12 H new ATOM 0 HE3 TRP A 47 10.838 4.656 -11.663 1.00 5.51 H new ATOM 0 HZ2 TRP A 47 7.428 6.463 -8.507 1.00 12.53 H new ATOM 0 HZ3 TRP A 47 11.513 5.820 -9.601 1.00 62.12 H new ATOM 0 HH2 TRP A 47 9.828 6.708 -8.041 1.00 53.23 H new ATOM 681 N CYS A 48 7.316 1.443 -11.544 1.00 12.11 N ATOM 682 CA CYS A 48 6.127 0.841 -10.952 1.00 40.04 C ATOM 683 C CYS A 48 5.509 1.768 -9.909 1.00 64.04 C ATOM 684 O CYS A 48 6.221 2.464 -9.184 1.00 55.45 O ATOM 685 CB CYS A 48 6.476 -0.504 -10.312 1.00 73.25 C ATOM 686 SG CYS A 48 6.137 -1.944 -11.376 1.00 52.32 S ATOM 0 H CYS A 48 7.965 1.847 -10.868 1.00 12.11 H new ATOM 0 HA CYS A 48 5.398 0.680 -11.746 1.00 40.04 H new ATOM 0 HB2 CYS A 48 7.533 -0.504 -10.045 1.00 73.25 H new ATOM 0 HB3 CYS A 48 5.913 -0.610 -9.385 1.00 73.25 H new ATOM 691 N ILE A 49 4.183 1.771 -9.840 1.00 75.41 N ATOM 692 CA ILE A 49 3.470 2.610 -8.885 1.00 54.25 C ATOM 693 C ILE A 49 2.680 1.765 -7.892 1.00 23.32 C ATOM 694 O ILE A 49 1.856 0.937 -8.281 1.00 11.03 O ATOM 695 CB ILE A 49 2.506 3.579 -9.597 1.00 64.31 C ATOM 696 CG1 ILE A 49 3.279 4.489 -10.554 1.00 75.24 C ATOM 697 CG2 ILE A 49 1.737 4.405 -8.577 1.00 73.33 C ATOM 698 CD1 ILE A 49 2.396 5.201 -11.555 1.00 14.10 C ATOM 0 H ILE A 49 3.580 1.202 -10.434 1.00 75.41 H new ATOM 0 HA ILE A 49 4.223 3.187 -8.349 1.00 54.25 H new ATOM 0 HB ILE A 49 1.791 2.996 -10.177 1.00 64.31 H new ATOM 0 HG12 ILE A 49 3.828 5.231 -9.974 1.00 75.24 H new ATOM 0 HG13 ILE A 49 4.018 3.894 -11.091 1.00 75.24 H new ATOM 0 HG21 ILE A 49 1.060 5.085 -9.095 1.00 73.33 H new ATOM 0 HG22 ILE A 49 1.161 3.742 -7.931 1.00 73.33 H new ATOM 0 HG23 ILE A 49 2.438 4.981 -7.973 1.00 73.33 H new ATOM 0 HD11 ILE A 49 3.011 5.828 -12.201 1.00 14.10 H new ATOM 0 HD12 ILE A 49 1.866 4.466 -12.161 1.00 14.10 H new ATOM 0 HD13 ILE A 49 1.674 5.823 -11.026 1.00 14.10 H new ATOM 710 N LYS A 50 2.937 1.979 -6.606 1.00 12.41 N ATOM 711 CA LYS A 50 2.249 1.240 -5.554 1.00 51.11 C ATOM 712 C LYS A 50 2.601 -0.243 -5.612 1.00 75.03 C ATOM 713 O LYS A 50 1.859 -1.046 -6.180 1.00 54.43 O ATOM 714 CB LYS A 50 0.735 1.422 -5.682 1.00 33.54 C ATOM 715 CG LYS A 50 0.144 2.352 -4.637 1.00 15.21 C ATOM 716 CD LYS A 50 -1.330 2.063 -4.403 1.00 2.44 C ATOM 717 CE LYS A 50 -1.819 2.683 -3.102 1.00 72.35 C ATOM 718 NZ LYS A 50 -2.847 1.835 -2.437 1.00 2.13 N ATOM 0 H LYS A 50 3.618 2.659 -6.267 1.00 12.41 H new ATOM 0 HA LYS A 50 2.576 1.635 -4.592 1.00 51.11 H new ATOM 0 HB2 LYS A 50 0.507 1.812 -6.674 1.00 33.54 H new ATOM 0 HB3 LYS A 50 0.252 0.448 -5.604 1.00 33.54 H new ATOM 0 HG2 LYS A 50 0.690 2.242 -3.700 1.00 15.21 H new ATOM 0 HG3 LYS A 50 0.266 3.386 -4.958 1.00 15.21 H new ATOM 0 HD2 LYS A 50 -1.915 2.453 -5.236 1.00 2.44 H new ATOM 0 HD3 LYS A 50 -1.491 0.985 -4.377 1.00 2.44 H new ATOM 0 HE2 LYS A 50 -0.975 2.826 -2.428 1.00 72.35 H new ATOM 0 HE3 LYS A 50 -2.237 3.669 -3.304 1.00 72.35 H new ATOM 0 HZ1 LYS A 50 -3.548 2.443 -1.967 1.00 2.13 H new ATOM 0 HZ2 LYS A 50 -3.323 1.244 -3.148 1.00 2.13 H new ATOM 0 HZ3 LYS A 50 -2.389 1.225 -1.730 1.00 2.13 H new ATOM 732 N LEU A 51 3.735 -0.601 -5.021 1.00 11.11 N ATOM 733 CA LEU A 51 4.184 -1.989 -5.004 1.00 42.20 C ATOM 734 C LEU A 51 4.360 -2.487 -3.573 1.00 43.21 C ATOM 735 O LEU A 51 4.910 -1.798 -2.713 1.00 52.12 O ATOM 736 CB LEU A 51 5.501 -2.129 -5.771 1.00 15.45 C ATOM 737 CG LEU A 51 5.838 -3.532 -6.275 1.00 32.34 C ATOM 738 CD1 LEU A 51 4.890 -3.940 -7.392 1.00 31.44 C ATOM 739 CD2 LEU A 51 7.282 -3.596 -6.749 1.00 4.13 C ATOM 0 H LEU A 51 4.361 0.050 -4.547 1.00 11.11 H new ATOM 0 HA LEU A 51 3.421 -2.598 -5.490 1.00 42.20 H new ATOM 0 HB2 LEU A 51 5.473 -1.454 -6.627 1.00 15.45 H new ATOM 0 HB3 LEU A 51 6.312 -1.792 -5.125 1.00 15.45 H new ATOM 0 HG LEU A 51 5.716 -4.233 -5.449 1.00 32.34 H new ATOM 0 HD11 LEU A 51 5.145 -4.942 -7.738 1.00 31.44 H new ATOM 0 HD12 LEU A 51 3.866 -3.935 -7.020 1.00 31.44 H new ATOM 0 HD13 LEU A 51 4.979 -3.236 -8.220 1.00 31.44 H new ATOM 0 HD21 LEU A 51 7.504 -4.602 -7.104 1.00 4.13 H new ATOM 0 HD22 LEU A 51 7.430 -2.884 -7.561 1.00 4.13 H new ATOM 0 HD23 LEU A 51 7.948 -3.348 -5.922 1.00 4.13 H new ATOM 751 N PRO A 52 3.885 -3.713 -3.310 1.00 65.45 N ATOM 752 CA PRO A 52 3.981 -4.332 -1.985 1.00 64.31 C ATOM 753 C PRO A 52 5.415 -4.703 -1.621 1.00 10.44 C ATOM 754 O PRO A 52 6.261 -4.885 -2.496 1.00 73.43 O ATOM 755 CB PRO A 52 3.121 -5.592 -2.119 1.00 3.54 C ATOM 756 CG PRO A 52 3.142 -5.912 -3.573 1.00 40.14 C ATOM 757 CD PRO A 52 3.219 -4.591 -4.287 1.00 52.33 C ATOM 0 HA PRO A 52 3.653 -3.657 -1.195 1.00 64.31 H new ATOM 0 HB2 PRO A 52 3.526 -6.413 -1.527 1.00 3.54 H new ATOM 0 HB3 PRO A 52 2.104 -5.417 -1.767 1.00 3.54 H new ATOM 0 HG2 PRO A 52 3.997 -6.540 -3.822 1.00 40.14 H new ATOM 0 HG3 PRO A 52 2.247 -6.462 -3.865 1.00 40.14 H new ATOM 0 HD2 PRO A 52 3.789 -4.667 -5.213 1.00 52.33 H new ATOM 0 HD3 PRO A 52 2.229 -4.219 -4.552 1.00 52.33 H new ATOM 765 N ASP A 53 5.681 -4.812 -0.324 1.00 2.13 N ATOM 766 CA ASP A 53 7.013 -5.162 0.157 1.00 71.24 C ATOM 767 C ASP A 53 7.483 -6.478 -0.456 1.00 51.11 C ATOM 768 O ASP A 53 8.681 -6.700 -0.630 1.00 40.02 O ATOM 769 CB ASP A 53 7.017 -5.266 1.683 1.00 41.45 C ATOM 770 CG ASP A 53 7.895 -4.214 2.332 1.00 52.34 C ATOM 771 OD1 ASP A 53 9.130 -4.401 2.352 1.00 54.10 O ATOM 772 OD2 ASP A 53 7.347 -3.203 2.819 1.00 41.35 O ATOM 0 H ASP A 53 4.992 -4.663 0.413 1.00 2.13 H new ATOM 0 HA ASP A 53 7.701 -4.373 -0.147 1.00 71.24 H new ATOM 0 HB2 ASP A 53 5.997 -5.163 2.054 1.00 41.45 H new ATOM 0 HB3 ASP A 53 7.365 -6.257 1.976 1.00 41.45 H new ATOM 777 N SER A 54 6.531 -7.347 -0.780 1.00 61.31 N ATOM 778 CA SER A 54 6.848 -8.643 -1.369 1.00 32.33 C ATOM 779 C SER A 54 7.818 -8.487 -2.536 1.00 73.30 C ATOM 780 O SER A 54 8.647 -9.361 -2.790 1.00 51.04 O ATOM 781 CB SER A 54 5.570 -9.338 -1.842 1.00 73.22 C ATOM 782 OG SER A 54 5.311 -9.055 -3.206 1.00 71.44 O ATOM 0 H SER A 54 5.534 -7.177 -0.645 1.00 61.31 H new ATOM 0 HA SER A 54 7.324 -9.256 -0.604 1.00 32.33 H new ATOM 0 HB2 SER A 54 5.665 -10.415 -1.702 1.00 73.22 H new ATOM 0 HB3 SER A 54 4.727 -9.011 -1.233 1.00 73.22 H new ATOM 0 HG SER A 54 4.490 -9.512 -3.485 1.00 71.44 H new ATOM 788 N VAL A 55 7.707 -7.367 -3.243 1.00 63.24 N ATOM 789 CA VAL A 55 8.574 -7.094 -4.383 1.00 62.45 C ATOM 790 C VAL A 55 9.340 -5.790 -4.192 1.00 21.22 C ATOM 791 O VAL A 55 8.920 -4.723 -4.640 1.00 21.12 O ATOM 792 CB VAL A 55 7.769 -7.017 -5.694 1.00 45.55 C ATOM 793 CG1 VAL A 55 8.705 -6.932 -6.891 1.00 53.50 C ATOM 794 CG2 VAL A 55 6.838 -8.213 -5.819 1.00 40.33 C ATOM 0 H VAL A 55 7.025 -6.634 -3.046 1.00 63.24 H new ATOM 0 HA VAL A 55 9.282 -7.921 -4.448 1.00 62.45 H new ATOM 0 HB VAL A 55 7.160 -6.113 -5.674 1.00 45.55 H new ATOM 0 HG11 VAL A 55 8.119 -6.878 -7.808 1.00 53.50 H new ATOM 0 HG12 VAL A 55 9.326 -6.040 -6.805 1.00 53.50 H new ATOM 0 HG13 VAL A 55 9.342 -7.816 -6.919 1.00 53.50 H new ATOM 0 HG21 VAL A 55 6.277 -8.142 -6.751 1.00 40.33 H new ATOM 0 HG22 VAL A 55 7.424 -9.132 -5.817 1.00 40.33 H new ATOM 0 HG23 VAL A 55 6.144 -8.224 -4.978 1.00 40.33 H new ATOM 804 N PRO A 56 10.492 -5.875 -3.510 1.00 62.43 N ATOM 805 CA PRO A 56 11.342 -4.711 -3.244 1.00 64.23 C ATOM 806 C PRO A 56 12.015 -4.184 -4.507 1.00 51.22 C ATOM 807 O PRO A 56 12.697 -4.926 -5.214 1.00 42.13 O ATOM 808 CB PRO A 56 12.389 -5.252 -2.267 1.00 62.43 C ATOM 809 CG PRO A 56 12.446 -6.715 -2.545 1.00 44.11 C ATOM 810 CD PRO A 56 11.054 -7.115 -2.947 1.00 52.23 C ATOM 0 HA PRO A 56 10.770 -3.869 -2.854 1.00 64.23 H new ATOM 0 HB2 PRO A 56 13.359 -4.781 -2.425 1.00 62.43 H new ATOM 0 HB3 PRO A 56 12.104 -5.056 -1.233 1.00 62.43 H new ATOM 0 HG2 PRO A 56 13.160 -6.934 -3.339 1.00 44.11 H new ATOM 0 HG3 PRO A 56 12.771 -7.267 -1.663 1.00 44.11 H new ATOM 0 HD2 PRO A 56 11.064 -7.921 -3.681 1.00 52.23 H new ATOM 0 HD3 PRO A 56 10.475 -7.467 -2.094 1.00 52.23 H new ATOM 818 N ILE A 57 11.818 -2.899 -4.784 1.00 63.31 N ATOM 819 CA ILE A 57 12.407 -2.273 -5.961 1.00 65.32 C ATOM 820 C ILE A 57 13.922 -2.453 -5.979 1.00 53.35 C ATOM 821 O ILE A 57 14.496 -3.060 -5.075 1.00 50.42 O ATOM 822 CB ILE A 57 12.079 -0.770 -6.023 1.00 42.21 C ATOM 823 CG1 ILE A 57 12.442 -0.091 -4.701 1.00 22.44 C ATOM 824 CG2 ILE A 57 10.607 -0.562 -6.345 1.00 32.03 C ATOM 825 CD1 ILE A 57 13.909 0.259 -4.584 1.00 40.41 C ATOM 0 H ILE A 57 11.255 -2.272 -4.209 1.00 63.31 H new ATOM 0 HA ILE A 57 11.974 -2.767 -6.831 1.00 65.32 H new ATOM 0 HB ILE A 57 12.672 -0.316 -6.817 1.00 42.21 H new ATOM 0 HG12 ILE A 57 11.850 0.818 -4.594 1.00 22.44 H new ATOM 0 HG13 ILE A 57 12.167 -0.749 -3.877 1.00 22.44 H new ATOM 0 HG21 ILE A 57 10.391 0.506 -6.385 1.00 32.03 H new ATOM 0 HG22 ILE A 57 10.378 -1.015 -7.309 1.00 32.03 H new ATOM 0 HG23 ILE A 57 9.996 -1.027 -5.571 1.00 32.03 H new ATOM 0 HD11 ILE A 57 14.093 0.737 -3.622 1.00 40.41 H new ATOM 0 HD12 ILE A 57 14.507 -0.649 -4.658 1.00 40.41 H new ATOM 0 HD13 ILE A 57 14.185 0.942 -5.387 1.00 40.41 H new ATOM 837 N ARG A 58 14.563 -1.919 -7.014 1.00 72.42 N ATOM 838 CA ARG A 58 16.011 -2.020 -7.150 1.00 51.10 C ATOM 839 C ARG A 58 16.716 -1.192 -6.080 1.00 22.13 C ATOM 840 O ARG A 58 16.582 0.031 -6.037 1.00 35.23 O ATOM 841 CB ARG A 58 16.448 -1.554 -8.540 1.00 73.22 C ATOM 842 CG ARG A 58 17.492 -2.452 -9.183 1.00 70.12 C ATOM 843 CD ARG A 58 18.873 -2.211 -8.593 1.00 72.53 C ATOM 844 NE ARG A 58 19.918 -2.894 -9.351 1.00 22.31 N ATOM 845 CZ ARG A 58 21.192 -2.933 -8.976 1.00 12.45 C ATOM 846 NH1 ARG A 58 21.576 -2.331 -7.858 1.00 55.32 N ATOM 847 NH2 ARG A 58 22.085 -3.574 -9.718 1.00 74.43 N ATOM 0 H ARG A 58 14.102 -1.412 -7.770 1.00 72.42 H new ATOM 0 HA ARG A 58 16.291 -3.065 -7.020 1.00 51.10 H new ATOM 0 HB2 ARG A 58 15.574 -1.505 -9.189 1.00 73.22 H new ATOM 0 HB3 ARG A 58 16.847 -0.542 -8.466 1.00 73.22 H new ATOM 0 HG2 ARG A 58 17.212 -3.496 -9.042 1.00 70.12 H new ATOM 0 HG3 ARG A 58 17.517 -2.271 -10.258 1.00 70.12 H new ATOM 0 HD2 ARG A 58 19.078 -1.141 -8.576 1.00 72.53 H new ATOM 0 HD3 ARG A 58 18.891 -2.556 -7.559 1.00 72.53 H new ATOM 0 HE ARG A 58 19.655 -3.367 -10.216 1.00 22.31 H new ATOM 0 HH11 ARG A 58 20.893 -1.837 -7.284 1.00 55.32 H new ATOM 0 HH12 ARG A 58 22.555 -2.362 -7.572 1.00 55.32 H new ATOM 0 HH21 ARG A 58 21.794 -4.038 -10.578 1.00 74.43 H new ATOM 0 HH22 ARG A 58 23.063 -3.603 -9.428 1.00 74.43 H new ATOM 861 N VAL A 59 17.468 -1.868 -5.216 1.00 42.44 N ATOM 862 CA VAL A 59 18.195 -1.195 -4.146 1.00 62.23 C ATOM 863 C VAL A 59 19.607 -0.827 -4.588 1.00 22.30 C ATOM 864 O VAL A 59 20.175 -1.427 -5.501 1.00 53.24 O ATOM 865 CB VAL A 59 18.277 -2.074 -2.884 1.00 75.43 C ATOM 866 CG1 VAL A 59 16.911 -2.190 -2.225 1.00 12.33 C ATOM 867 CG2 VAL A 59 18.829 -3.449 -3.228 1.00 64.31 C ATOM 0 H VAL A 59 17.589 -2.881 -5.236 1.00 42.44 H new ATOM 0 HA VAL A 59 17.642 -0.285 -3.911 1.00 62.23 H new ATOM 0 HB VAL A 59 18.957 -1.601 -2.176 1.00 75.43 H new ATOM 0 HG11 VAL A 59 16.988 -2.815 -1.335 1.00 12.33 H new ATOM 0 HG12 VAL A 59 16.558 -1.198 -1.943 1.00 12.33 H new ATOM 0 HG13 VAL A 59 16.207 -2.640 -2.924 1.00 12.33 H new ATOM 0 HG21 VAL A 59 18.880 -4.057 -2.325 1.00 64.31 H new ATOM 0 HG22 VAL A 59 18.175 -3.932 -3.954 1.00 64.31 H new ATOM 0 HG23 VAL A 59 19.828 -3.344 -3.652 1.00 64.31 H new ATOM 877 N PRO A 60 20.190 0.182 -3.925 1.00 4.41 N ATOM 878 CA PRO A 60 21.545 0.653 -4.231 1.00 34.21 C ATOM 879 C PRO A 60 22.614 -0.358 -3.830 1.00 12.22 C ATOM 880 O PRO A 60 22.934 -0.503 -2.651 1.00 12.42 O ATOM 881 CB PRO A 60 21.674 1.929 -3.395 1.00 63.41 C ATOM 882 CG PRO A 60 20.718 1.742 -2.268 1.00 71.02 C ATOM 883 CD PRO A 60 19.573 0.942 -2.825 1.00 52.10 C ATOM 0 HA PRO A 60 21.690 0.811 -5.300 1.00 34.21 H new ATOM 0 HB2 PRO A 60 22.693 2.063 -3.032 1.00 63.41 H new ATOM 0 HB3 PRO A 60 21.426 2.813 -3.982 1.00 63.41 H new ATOM 0 HG2 PRO A 60 21.192 1.219 -1.437 1.00 71.02 H new ATOM 0 HG3 PRO A 60 20.373 2.703 -1.885 1.00 71.02 H new ATOM 0 HD2 PRO A 60 19.141 0.281 -2.073 1.00 52.10 H new ATOM 0 HD3 PRO A 60 18.770 1.586 -3.183 1.00 52.10 H new ATOM 891 N GLY A 61 23.164 -1.055 -4.819 1.00 73.15 N ATOM 892 CA GLY A 61 24.192 -2.043 -4.549 1.00 34.23 C ATOM 893 C GLY A 61 24.601 -2.809 -5.791 1.00 33.51 C ATOM 894 O GLY A 61 24.432 -2.327 -6.911 1.00 70.31 O ATOM 0 H GLY A 61 22.916 -0.953 -5.803 1.00 73.15 H new ATOM 0 HA2 GLY A 61 25.066 -1.547 -4.128 1.00 34.23 H new ATOM 0 HA3 GLY A 61 23.829 -2.744 -3.797 1.00 34.23 H new ATOM 898 N LYS A 62 25.142 -4.007 -5.594 1.00 1.20 N ATOM 899 CA LYS A 62 25.578 -4.842 -6.707 1.00 33.54 C ATOM 900 C LYS A 62 24.473 -5.806 -7.129 1.00 12.24 C ATOM 901 O LYS A 62 23.496 -6.002 -6.405 1.00 23.03 O ATOM 902 CB LYS A 62 26.833 -5.627 -6.321 1.00 24.54 C ATOM 903 CG LYS A 62 28.057 -4.753 -6.111 1.00 42.42 C ATOM 904 CD LYS A 62 29.339 -5.498 -6.443 1.00 60.10 C ATOM 905 CE LYS A 62 29.564 -6.668 -5.497 1.00 43.32 C ATOM 906 NZ LYS A 62 29.222 -7.970 -6.134 1.00 14.33 N ATOM 0 H LYS A 62 25.289 -4.421 -4.674 1.00 1.20 H new ATOM 0 HA LYS A 62 25.809 -4.190 -7.549 1.00 33.54 H new ATOM 0 HB2 LYS A 62 26.635 -6.186 -5.406 1.00 24.54 H new ATOM 0 HB3 LYS A 62 27.048 -6.358 -7.101 1.00 24.54 H new ATOM 0 HG2 LYS A 62 27.981 -3.863 -6.735 1.00 42.42 H new ATOM 0 HG3 LYS A 62 28.090 -4.414 -5.075 1.00 42.42 H new ATOM 0 HD2 LYS A 62 29.294 -5.862 -7.469 1.00 60.10 H new ATOM 0 HD3 LYS A 62 30.185 -4.813 -6.384 1.00 60.10 H new ATOM 0 HE2 LYS A 62 30.606 -6.682 -5.178 1.00 43.32 H new ATOM 0 HE3 LYS A 62 28.959 -6.532 -4.601 1.00 43.32 H new ATOM 0 HZ1 LYS A 62 29.484 -8.748 -5.496 1.00 14.33 H new ATOM 0 HZ2 LYS A 62 28.200 -8.006 -6.323 1.00 14.33 H new ATOM 0 HZ3 LYS A 62 29.743 -8.066 -7.029 1.00 14.33 H new ATOM 920 N CYS A 63 24.634 -6.406 -8.303 1.00 50.43 N ATOM 921 CA CYS A 63 23.651 -7.350 -8.822 1.00 2.53 C ATOM 922 C CYS A 63 24.183 -8.778 -8.759 1.00 24.35 C ATOM 923 O CYS A 63 25.374 -9.016 -8.957 1.00 62.45 O ATOM 924 CB CYS A 63 23.283 -6.994 -10.263 1.00 72.15 C ATOM 925 SG CYS A 63 22.191 -8.207 -11.072 1.00 72.15 S ATOM 0 H CYS A 63 25.437 -6.255 -8.914 1.00 50.43 H new ATOM 0 HA CYS A 63 22.758 -7.286 -8.200 1.00 2.53 H new ATOM 0 HB2 CYS A 63 22.795 -6.019 -10.272 1.00 72.15 H new ATOM 0 HB3 CYS A 63 24.198 -6.898 -10.847 1.00 72.15 H new ATOM 930 N GLN A 64 23.292 -9.724 -8.481 1.00 31.14 N ATOM 931 CA GLN A 64 23.672 -11.129 -8.391 1.00 0.10 C ATOM 932 C GLN A 64 22.616 -12.021 -9.036 1.00 44.20 C ATOM 933 O GLN A 64 21.601 -11.536 -9.538 1.00 23.25 O ATOM 934 CB GLN A 64 23.874 -11.532 -6.929 1.00 75.33 C ATOM 935 CG GLN A 64 25.277 -12.029 -6.623 1.00 61.52 C ATOM 936 CD GLN A 64 25.431 -12.498 -5.190 1.00 35.32 C ATOM 937 OE1 GLN A 64 25.032 -11.807 -4.252 1.00 52.22 O ATOM 938 NE2 GLN A 64 26.011 -13.679 -5.012 1.00 32.41 N ATOM 0 H GLN A 64 22.302 -9.543 -8.314 1.00 31.14 H new ATOM 0 HA GLN A 64 24.610 -11.261 -8.930 1.00 0.10 H new ATOM 0 HB2 GLN A 64 23.654 -10.676 -6.291 1.00 75.33 H new ATOM 0 HB3 GLN A 64 23.157 -12.313 -6.674 1.00 75.33 H new ATOM 0 HG2 GLN A 64 25.523 -12.849 -7.298 1.00 61.52 H new ATOM 0 HG3 GLN A 64 25.992 -11.230 -6.818 1.00 61.52 H new ATOM 0 HE21 GLN A 64 26.327 -14.219 -5.818 1.00 32.41 H new ATOM 0 HE22 GLN A 64 26.141 -14.047 -4.069 1.00 32.41 H new