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 -173:sc= -0.721 USER MOD Set 1.2: A 37 GLN : amide:sc=-0.00711 K(o=-0.73,f=-1.5) USER MOD Single : A 1 VAL N :NH3+ 154:sc= -0.224 (180deg=-0.524) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 0.45 (180deg=0.174) USER MOD Single : A 11 ASN : amide:sc= -2.67 K(o=-2.7,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -60:sc= 0.901 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 23 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.016) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -80:sc= 0.214 USER MOD Single : A 29 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -63:sc= -1.56! 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= 0.198 K(o=0.2,f=-2.6!) 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 1.934 -0.419 0.147 1.00 71.01 N ATOM 2 CA VAL A 1 2.476 -0.259 -1.197 1.00 73.33 C ATOM 3 C VAL A 1 3.307 1.014 -1.307 1.00 53.11 C ATOM 4 O VAL A 1 2.996 2.026 -0.679 1.00 3.15 O ATOM 5 CB VAL A 1 1.355 -0.221 -2.253 1.00 41.42 C ATOM 6 CG1 VAL A 1 0.795 -1.615 -2.489 1.00 12.12 C ATOM 7 CG2 VAL A 1 0.255 0.740 -1.827 1.00 42.02 C ATOM 0 H1 VAL A 1 1.065 -0.990 0.105 1.00 71.01 H new ATOM 0 H2 VAL A 1 2.634 -0.898 0.749 1.00 71.01 H new ATOM 0 H3 VAL A 1 1.715 0.516 0.547 1.00 71.01 H new ATOM 0 HA VAL A 1 3.114 -1.122 -1.386 1.00 73.33 H new ATOM 0 HB VAL A 1 1.776 0.138 -3.192 1.00 41.42 H new ATOM 0 HG11 VAL A 1 0.004 -1.568 -3.238 1.00 12.12 H new ATOM 0 HG12 VAL A 1 1.590 -2.272 -2.842 1.00 12.12 H new ATOM 0 HG13 VAL A 1 0.388 -2.006 -1.557 1.00 12.12 H new ATOM 0 HG21 VAL A 1 -0.529 0.755 -2.584 1.00 42.02 H new ATOM 0 HG22 VAL A 1 -0.165 0.413 -0.876 1.00 42.02 H new ATOM 0 HG23 VAL A 1 0.670 1.742 -1.715 1.00 42.02 H new ATOM 17 N ARG A 2 4.364 0.957 -2.110 1.00 62.31 N ATOM 18 CA ARG A 2 5.241 2.105 -2.302 1.00 50.51 C ATOM 19 C ARG A 2 5.619 2.261 -3.772 1.00 52.42 C ATOM 20 O ARG A 2 5.727 1.277 -4.503 1.00 64.23 O ATOM 21 CB ARG A 2 6.505 1.957 -1.453 1.00 13.13 C ATOM 22 CG ARG A 2 6.320 1.064 -0.237 1.00 12.02 C ATOM 23 CD ARG A 2 6.529 -0.401 -0.585 1.00 21.41 C ATOM 24 NE ARG A 2 7.547 -1.024 0.257 1.00 61.00 N ATOM 25 CZ ARG A 2 8.852 -0.925 0.028 1.00 52.43 C ATOM 26 NH1 ARG A 2 9.295 -0.231 -1.012 1.00 14.33 N ATOM 27 NH2 ARG A 2 9.717 -1.520 0.839 1.00 15.44 N ATOM 0 H ARG A 2 4.634 0.127 -2.638 1.00 62.31 H new ATOM 0 HA ARG A 2 4.702 2.998 -1.986 1.00 50.51 H new ATOM 0 HB2 ARG A 2 7.304 1.551 -2.073 1.00 13.13 H new ATOM 0 HB3 ARG A 2 6.828 2.944 -1.123 1.00 13.13 H new ATOM 0 HG2 ARG A 2 7.023 1.358 0.542 1.00 12.02 H new ATOM 0 HG3 ARG A 2 5.318 1.203 0.169 1.00 12.02 H new ATOM 0 HD2 ARG A 2 5.587 -0.938 -0.473 1.00 21.41 H new ATOM 0 HD3 ARG A 2 6.822 -0.487 -1.631 1.00 21.41 H new ATOM 0 HE ARG A 2 7.239 -1.565 1.065 1.00 61.00 H new ATOM 0 HH11 ARG A 2 8.633 0.228 -1.638 1.00 14.33 H new ATOM 0 HH12 ARG A 2 10.297 -0.156 -1.186 1.00 14.33 H new ATOM 0 HH21 ARG A 2 9.381 -2.055 1.640 1.00 15.44 H new ATOM 0 HH22 ARG A 2 10.718 -1.443 0.662 1.00 15.44 H new ATOM 41 N ASP A 3 5.817 3.504 -4.198 1.00 51.00 N ATOM 42 CA ASP A 3 6.183 3.789 -5.581 1.00 10.35 C ATOM 43 C ASP A 3 7.698 3.890 -5.732 1.00 14.21 C ATOM 44 O ASP A 3 8.383 4.433 -4.866 1.00 11.21 O ATOM 45 CB ASP A 3 5.524 5.088 -6.048 1.00 34.14 C ATOM 46 CG ASP A 3 4.319 5.461 -5.206 1.00 4.14 C ATOM 47 OD1 ASP A 3 3.439 4.597 -5.013 1.00 75.33 O ATOM 48 OD2 ASP A 3 4.258 6.617 -4.738 1.00 42.32 O ATOM 0 H ASP A 3 5.730 4.330 -3.606 1.00 51.00 H new ATOM 0 HA ASP A 3 5.828 2.967 -6.202 1.00 10.35 H new ATOM 0 HB2 ASP A 3 6.254 5.896 -6.010 1.00 34.14 H new ATOM 0 HB3 ASP A 3 5.218 4.983 -7.089 1.00 34.14 H new ATOM 53 N ALA A 4 8.213 3.362 -6.837 1.00 42.42 N ATOM 54 CA ALA A 4 9.646 3.394 -7.102 1.00 61.13 C ATOM 55 C ALA A 4 9.979 2.681 -8.409 1.00 15.22 C ATOM 56 O ALA A 4 9.084 2.249 -9.137 1.00 2.53 O ATOM 57 CB ALA A 4 10.411 2.765 -5.947 1.00 14.44 C ATOM 0 H ALA A 4 7.660 2.907 -7.563 1.00 42.42 H new ATOM 0 HA ALA A 4 9.949 4.437 -7.199 1.00 61.13 H new ATOM 0 HB1 ALA A 4 11.480 2.796 -6.159 1.00 14.44 H new ATOM 0 HB2 ALA A 4 10.206 3.319 -5.031 1.00 14.44 H new ATOM 0 HB3 ALA A 4 10.096 1.729 -5.823 1.00 14.44 H new ATOM 63 N TYR A 5 11.269 2.562 -8.700 1.00 71.03 N ATOM 64 CA TYR A 5 11.719 1.904 -9.921 1.00 41.23 C ATOM 65 C TYR A 5 11.709 0.387 -9.758 1.00 43.32 C ATOM 66 O TYR A 5 12.627 -0.191 -9.175 1.00 72.33 O ATOM 67 CB TYR A 5 13.125 2.379 -10.293 1.00 53.20 C ATOM 68 CG TYR A 5 13.135 3.586 -11.204 1.00 72.34 C ATOM 69 CD1 TYR A 5 12.734 3.483 -12.531 1.00 22.43 C ATOM 70 CD2 TYR A 5 13.544 4.829 -10.738 1.00 42.15 C ATOM 71 CE1 TYR A 5 12.743 4.582 -13.367 1.00 13.21 C ATOM 72 CE2 TYR A 5 13.555 5.934 -11.567 1.00 55.52 C ATOM 73 CZ TYR A 5 13.153 5.806 -12.881 1.00 24.25 C ATOM 74 OH TYR A 5 13.162 6.904 -13.710 1.00 31.20 O ATOM 0 H TYR A 5 12.022 2.912 -8.107 1.00 71.03 H new ATOM 0 HA TYR A 5 11.029 2.170 -10.722 1.00 41.23 H new ATOM 0 HB2 TYR A 5 13.672 2.618 -9.381 1.00 53.20 H new ATOM 0 HB3 TYR A 5 13.658 1.562 -10.780 1.00 53.20 H new ATOM 0 HD1 TYR A 5 12.410 2.527 -12.915 1.00 22.43 H new ATOM 0 HD2 TYR A 5 13.859 4.933 -9.710 1.00 42.15 H new ATOM 0 HE1 TYR A 5 12.431 4.484 -14.396 1.00 13.21 H new ATOM 0 HE2 TYR A 5 13.877 6.893 -11.189 1.00 55.52 H new ATOM 0 HH TYR A 5 13.580 7.660 -13.247 1.00 31.20 H new ATOM 84 N ILE A 6 10.666 -0.250 -10.278 1.00 32.20 N ATOM 85 CA ILE A 6 10.536 -1.700 -10.192 1.00 44.52 C ATOM 86 C ILE A 6 11.705 -2.397 -10.880 1.00 71.40 C ATOM 87 O ILE A 6 12.206 -1.930 -11.902 1.00 11.50 O ATOM 88 CB ILE A 6 9.219 -2.186 -10.824 1.00 52.53 C ATOM 89 CG1 ILE A 6 9.196 -3.714 -10.897 1.00 40.35 C ATOM 90 CG2 ILE A 6 9.041 -1.581 -12.209 1.00 12.21 C ATOM 91 CD1 ILE A 6 7.814 -4.288 -11.117 1.00 13.43 C ATOM 0 H ILE A 6 9.898 0.214 -10.763 1.00 32.20 H new ATOM 0 HA ILE A 6 10.536 -1.955 -9.132 1.00 44.52 H new ATOM 0 HB ILE A 6 8.390 -1.859 -10.197 1.00 52.53 H new ATOM 0 HG12 ILE A 6 9.849 -4.041 -11.706 1.00 40.35 H new ATOM 0 HG13 ILE A 6 9.606 -4.120 -9.972 1.00 40.35 H new ATOM 0 HG21 ILE A 6 8.105 -1.934 -12.643 1.00 12.21 H new ATOM 0 HG22 ILE A 6 9.017 -0.494 -12.131 1.00 12.21 H new ATOM 0 HG23 ILE A 6 9.873 -1.881 -12.847 1.00 12.21 H new ATOM 0 HD11 ILE A 6 7.874 -5.376 -11.158 1.00 13.43 H new ATOM 0 HD12 ILE A 6 7.162 -3.991 -10.295 1.00 13.43 H new ATOM 0 HD13 ILE A 6 7.409 -3.911 -12.056 1.00 13.43 H new ATOM 103 N ALA A 7 12.133 -3.521 -10.313 1.00 51.50 N ATOM 104 CA ALA A 7 13.240 -4.286 -10.874 1.00 12.44 C ATOM 105 C ALA A 7 13.077 -5.775 -10.590 1.00 11.00 C ATOM 106 O ALA A 7 12.148 -6.187 -9.895 1.00 24.54 O ATOM 107 CB ALA A 7 14.564 -3.782 -10.318 1.00 71.33 C ATOM 0 H ALA A 7 11.730 -3.921 -9.466 1.00 51.50 H new ATOM 0 HA ALA A 7 13.236 -4.147 -11.955 1.00 12.44 H new ATOM 0 HB1 ALA A 7 15.382 -4.362 -10.745 1.00 71.33 H new ATOM 0 HB2 ALA A 7 14.691 -2.731 -10.577 1.00 71.33 H new ATOM 0 HB3 ALA A 7 14.569 -3.892 -9.234 1.00 71.33 H new ATOM 113 N LYS A 8 13.985 -6.579 -11.133 1.00 51.32 N ATOM 114 CA LYS A 8 13.943 -8.023 -10.939 1.00 21.13 C ATOM 115 C LYS A 8 15.202 -8.513 -10.230 1.00 72.32 C ATOM 116 O LYS A 8 16.314 -8.061 -10.505 1.00 34.32 O ATOM 117 CB LYS A 8 13.792 -8.736 -12.285 1.00 4.53 C ATOM 118 CG LYS A 8 13.930 -10.245 -12.193 1.00 21.45 C ATOM 119 CD LYS A 8 14.117 -10.873 -13.564 1.00 3.04 C ATOM 120 CE LYS A 8 15.572 -11.238 -13.816 1.00 22.05 C ATOM 121 NZ LYS A 8 15.939 -12.531 -13.173 1.00 50.52 N ATOM 0 H LYS A 8 14.760 -6.254 -11.712 1.00 51.32 H new ATOM 0 HA LYS A 8 13.081 -8.256 -10.314 1.00 21.13 H new ATOM 0 HB2 LYS A 8 12.817 -8.494 -12.707 1.00 4.53 H new ATOM 0 HB3 LYS A 8 14.543 -8.352 -12.976 1.00 4.53 H new ATOM 0 HG2 LYS A 8 14.780 -10.495 -11.558 1.00 21.45 H new ATOM 0 HG3 LYS A 8 13.043 -10.664 -11.718 1.00 21.45 H new ATOM 0 HD2 LYS A 8 13.498 -11.766 -13.644 1.00 3.04 H new ATOM 0 HD3 LYS A 8 13.776 -10.179 -14.333 1.00 3.04 H new ATOM 0 HE2 LYS A 8 15.749 -11.303 -14.889 1.00 22.05 H new ATOM 0 HE3 LYS A 8 16.216 -10.446 -13.434 1.00 22.05 H new ATOM 0 HZ1 LYS A 8 16.731 -12.963 -13.690 1.00 50.52 H new ATOM 0 HZ2 LYS A 8 16.221 -12.360 -12.187 1.00 50.52 H new ATOM 0 HZ3 LYS A 8 15.121 -13.173 -13.193 1.00 50.52 H new ATOM 135 N PRO A 9 15.026 -9.461 -9.298 1.00 31.14 N ATOM 136 CA PRO A 9 16.137 -10.035 -8.532 1.00 40.44 C ATOM 137 C PRO A 9 17.042 -10.910 -9.392 1.00 71.41 C ATOM 138 O PRO A 9 16.629 -11.401 -10.443 1.00 4.15 O ATOM 139 CB PRO A 9 15.435 -10.877 -7.465 1.00 32.23 C ATOM 140 CG PRO A 9 14.114 -11.220 -8.061 1.00 74.34 C ATOM 141 CD PRO A 9 13.729 -10.046 -8.919 1.00 31.34 C ATOM 0 HA PRO A 9 16.791 -9.265 -8.123 1.00 40.44 H new ATOM 0 HB2 PRO A 9 16.007 -11.774 -7.229 1.00 32.23 H new ATOM 0 HB3 PRO A 9 15.317 -10.320 -6.535 1.00 32.23 H new ATOM 0 HG2 PRO A 9 14.179 -12.132 -8.654 1.00 74.34 H new ATOM 0 HG3 PRO A 9 13.370 -11.397 -7.285 1.00 74.34 H new ATOM 0 HD2 PRO A 9 13.158 -10.358 -9.793 1.00 31.34 H new ATOM 0 HD3 PRO A 9 13.111 -9.334 -8.372 1.00 31.34 H new ATOM 149 N GLU A 10 18.277 -11.103 -8.938 1.00 53.45 N ATOM 150 CA GLU A 10 18.732 -10.506 -7.688 1.00 72.11 C ATOM 151 C GLU A 10 19.232 -9.082 -7.915 1.00 21.41 C ATOM 152 O GLU A 10 20.247 -8.868 -8.576 1.00 52.05 O ATOM 153 CB GLU A 10 19.842 -11.356 -7.067 1.00 3.35 C ATOM 154 CG GLU A 10 19.784 -11.419 -5.550 1.00 14.35 C ATOM 155 CD GLU A 10 19.546 -12.824 -5.033 1.00 21.32 C ATOM 156 OE1 GLU A 10 18.830 -13.593 -5.709 1.00 4.54 O ATOM 157 OE2 GLU A 10 20.077 -13.156 -3.952 1.00 13.12 O ATOM 0 H GLU A 10 18.979 -11.667 -9.417 1.00 53.45 H new ATOM 0 HA GLU A 10 17.885 -10.469 -7.002 1.00 72.11 H new ATOM 0 HB2 GLU A 10 19.780 -12.368 -7.467 1.00 3.35 H new ATOM 0 HB3 GLU A 10 20.809 -10.953 -7.369 1.00 3.35 H new ATOM 0 HG2 GLU A 10 20.719 -11.038 -5.138 1.00 14.35 H new ATOM 0 HG3 GLU A 10 18.988 -10.765 -5.193 1.00 14.35 H new ATOM 164 N ASN A 11 18.511 -8.113 -7.361 1.00 41.10 N ATOM 165 CA ASN A 11 18.880 -6.709 -7.503 1.00 63.23 C ATOM 166 C ASN A 11 19.333 -6.408 -8.929 1.00 11.42 C ATOM 167 O ASN A 11 20.515 -6.172 -9.180 1.00 1.42 O ATOM 168 CB ASN A 11 19.993 -6.350 -6.516 1.00 60.44 C ATOM 169 CG ASN A 11 19.930 -4.901 -6.076 1.00 12.32 C ATOM 170 OD1 ASN A 11 18.872 -4.273 -6.119 1.00 14.04 O ATOM 171 ND2 ASN A 11 21.066 -4.362 -5.650 1.00 2.14 N ATOM 0 H ASN A 11 17.668 -8.274 -6.810 1.00 41.10 H new ATOM 0 HA ASN A 11 18.000 -6.104 -7.284 1.00 63.23 H new ATOM 0 HB2 ASN A 11 19.921 -6.996 -5.641 1.00 60.44 H new ATOM 0 HB3 ASN A 11 20.961 -6.545 -6.978 1.00 60.44 H new ATOM 0 HD21 ASN A 11 21.085 -3.390 -5.341 1.00 2.14 H new ATOM 0 HD22 ASN A 11 21.920 -4.920 -5.631 1.00 2.14 H new ATOM 178 N CYS A 12 18.384 -6.417 -9.859 1.00 42.42 N ATOM 179 CA CYS A 12 18.683 -6.144 -11.260 1.00 25.12 C ATOM 180 C CYS A 12 17.642 -5.208 -11.866 1.00 41.04 C ATOM 181 O CYS A 12 16.439 -5.399 -11.685 1.00 44.33 O ATOM 182 CB CYS A 12 18.736 -7.450 -12.055 1.00 43.01 C ATOM 183 SG CYS A 12 20.417 -7.958 -12.540 1.00 42.43 S ATOM 0 H CYS A 12 17.401 -6.610 -9.668 1.00 42.42 H new ATOM 0 HA CYS A 12 19.656 -5.656 -11.310 1.00 25.12 H new ATOM 0 HB2 CYS A 12 18.286 -8.244 -11.459 1.00 43.01 H new ATOM 0 HB3 CYS A 12 18.128 -7.341 -12.953 1.00 43.01 H new ATOM 188 N VAL A 13 18.113 -4.196 -12.588 1.00 2.43 N ATOM 189 CA VAL A 13 17.224 -3.230 -13.223 1.00 32.35 C ATOM 190 C VAL A 13 16.533 -3.837 -14.439 1.00 13.34 C ATOM 191 O VAL A 13 16.974 -4.854 -14.973 1.00 72.41 O ATOM 192 CB VAL A 13 17.987 -1.965 -13.657 1.00 63.24 C ATOM 193 CG1 VAL A 13 18.712 -1.345 -12.473 1.00 11.14 C ATOM 194 CG2 VAL A 13 18.963 -2.291 -14.778 1.00 74.04 C ATOM 0 H VAL A 13 19.106 -4.024 -12.748 1.00 2.43 H new ATOM 0 HA VAL A 13 16.474 -2.955 -12.482 1.00 32.35 H new ATOM 0 HB VAL A 13 17.266 -1.238 -14.032 1.00 63.24 H new ATOM 0 HG11 VAL A 13 19.245 -0.452 -12.800 1.00 11.14 H new ATOM 0 HG12 VAL A 13 17.988 -1.074 -11.704 1.00 11.14 H new ATOM 0 HG13 VAL A 13 19.423 -2.063 -12.065 1.00 11.14 H new ATOM 0 HG21 VAL A 13 19.494 -1.386 -15.073 1.00 74.04 H new ATOM 0 HG22 VAL A 13 19.680 -3.036 -14.431 1.00 74.04 H new ATOM 0 HG23 VAL A 13 18.415 -2.685 -15.634 1.00 74.04 H new ATOM 204 N TYR A 14 15.447 -3.205 -14.871 1.00 63.13 N ATOM 205 CA TYR A 14 14.693 -3.683 -16.024 1.00 21.31 C ATOM 206 C TYR A 14 14.641 -2.622 -17.119 1.00 34.21 C ATOM 207 O TYR A 14 13.889 -1.653 -17.023 1.00 34.03 O ATOM 208 CB TYR A 14 13.274 -4.071 -15.606 1.00 31.42 C ATOM 209 CG TYR A 14 12.958 -5.534 -15.822 1.00 32.24 C ATOM 210 CD1 TYR A 14 13.266 -6.162 -17.022 1.00 44.23 C ATOM 211 CD2 TYR A 14 12.350 -6.288 -14.826 1.00 32.33 C ATOM 212 CE1 TYR A 14 12.979 -7.498 -17.224 1.00 51.15 C ATOM 213 CE2 TYR A 14 12.060 -7.625 -15.018 1.00 60.25 C ATOM 214 CZ TYR A 14 12.376 -8.225 -16.219 1.00 62.34 C ATOM 215 OH TYR A 14 12.088 -9.556 -16.416 1.00 32.42 O ATOM 0 H TYR A 14 15.069 -2.361 -14.440 1.00 63.13 H new ATOM 0 HA TYR A 14 15.201 -4.562 -16.420 1.00 21.31 H new ATOM 0 HB2 TYR A 14 13.136 -3.830 -14.552 1.00 31.42 H new ATOM 0 HB3 TYR A 14 12.561 -3.467 -16.167 1.00 31.42 H new ATOM 0 HD1 TYR A 14 13.738 -5.596 -17.811 1.00 44.23 H new ATOM 0 HD2 TYR A 14 12.100 -5.821 -13.885 1.00 32.33 H new ATOM 0 HE1 TYR A 14 13.225 -7.970 -18.163 1.00 51.15 H new ATOM 0 HE2 TYR A 14 11.589 -8.197 -14.232 1.00 60.25 H new ATOM 0 HH TYR A 14 11.666 -9.922 -15.611 1.00 32.42 H new ATOM 225 N GLU A 15 15.445 -2.815 -18.160 1.00 0.24 N ATOM 226 CA GLU A 15 15.491 -1.875 -19.273 1.00 54.42 C ATOM 227 C GLU A 15 14.262 -2.027 -20.165 1.00 72.50 C ATOM 228 O GLU A 15 13.895 -3.138 -20.551 1.00 42.34 O ATOM 229 CB GLU A 15 16.762 -2.087 -20.097 1.00 61.24 C ATOM 230 CG GLU A 15 16.792 -3.413 -20.839 1.00 41.12 C ATOM 231 CD GLU A 15 18.088 -3.629 -21.596 1.00 25.05 C ATOM 232 OE1 GLU A 15 18.349 -2.874 -22.555 1.00 41.12 O ATOM 233 OE2 GLU A 15 18.843 -4.554 -21.227 1.00 14.22 O ATOM 0 H GLU A 15 16.073 -3.613 -18.255 1.00 0.24 H new ATOM 0 HA GLU A 15 15.498 -0.866 -18.862 1.00 54.42 H new ATOM 0 HB2 GLU A 15 16.857 -1.275 -20.818 1.00 61.24 H new ATOM 0 HB3 GLU A 15 17.627 -2.030 -19.436 1.00 61.24 H new ATOM 0 HG2 GLU A 15 16.651 -4.227 -20.127 1.00 41.12 H new ATOM 0 HG3 GLU A 15 15.956 -3.453 -21.538 1.00 41.12 H new ATOM 240 N CYS A 16 13.629 -0.905 -20.488 1.00 11.52 N ATOM 241 CA CYS A 16 12.441 -0.911 -21.333 1.00 31.53 C ATOM 242 C CYS A 16 12.734 -0.276 -22.689 1.00 10.13 C ATOM 243 O CYS A 16 13.792 0.317 -22.892 1.00 44.33 O ATOM 244 CB CYS A 16 11.296 -0.166 -20.644 1.00 53.15 C ATOM 245 SG CYS A 16 9.840 -1.202 -20.292 1.00 33.33 S ATOM 0 H CYS A 16 13.919 0.022 -20.177 1.00 11.52 H new ATOM 0 HA CYS A 16 12.146 -1.948 -21.494 1.00 31.53 H new ATOM 0 HB2 CYS A 16 11.663 0.256 -19.708 1.00 53.15 H new ATOM 0 HB3 CYS A 16 10.990 0.670 -21.273 1.00 53.15 H new ATOM 250 N GLY A 17 11.787 -0.405 -23.614 1.00 4.54 N ATOM 251 CA GLY A 17 11.963 0.162 -24.938 1.00 55.01 C ATOM 252 C GLY A 17 11.537 -0.791 -26.037 1.00 53.03 C ATOM 253 O GLY A 17 10.872 -0.389 -26.993 1.00 63.21 O ATOM 0 H GLY A 17 10.902 -0.892 -23.470 1.00 4.54 H new ATOM 0 HA2 GLY A 17 11.385 1.083 -25.015 1.00 55.01 H new ATOM 0 HA3 GLY A 17 13.010 0.430 -25.079 1.00 55.01 H new ATOM 257 N ILE A 18 11.921 -2.056 -25.903 1.00 53.11 N ATOM 258 CA ILE A 18 11.575 -3.068 -26.893 1.00 53.13 C ATOM 259 C ILE A 18 10.504 -4.014 -26.361 1.00 61.41 C ATOM 260 O ILE A 18 9.441 -4.169 -26.963 1.00 32.22 O ATOM 261 CB ILE A 18 12.808 -3.890 -27.313 1.00 52.41 C ATOM 262 CG1 ILE A 18 13.912 -2.965 -27.829 1.00 62.14 C ATOM 263 CG2 ILE A 18 12.427 -4.912 -28.373 1.00 71.31 C ATOM 264 CD1 ILE A 18 15.250 -3.653 -27.989 1.00 41.43 C ATOM 0 H ILE A 18 12.472 -2.404 -25.118 1.00 53.11 H new ATOM 0 HA ILE A 18 11.188 -2.538 -27.764 1.00 53.13 H new ATOM 0 HB ILE A 18 13.185 -4.424 -26.441 1.00 52.41 H new ATOM 0 HG12 ILE A 18 13.608 -2.551 -28.790 1.00 62.14 H new ATOM 0 HG13 ILE A 18 14.023 -2.127 -27.141 1.00 62.14 H new ATOM 0 HG21 ILE A 18 13.309 -5.485 -28.660 1.00 71.31 H new ATOM 0 HG22 ILE A 18 11.670 -5.587 -27.973 1.00 71.31 H new ATOM 0 HG23 ILE A 18 12.028 -4.398 -29.248 1.00 71.31 H new ATOM 0 HD11 ILE A 18 15.985 -2.938 -28.358 1.00 41.43 H new ATOM 0 HD12 ILE A 18 15.576 -4.043 -27.025 1.00 41.43 H new ATOM 0 HD13 ILE A 18 15.154 -4.474 -28.699 1.00 41.43 H new ATOM 276 N THR A 19 10.791 -4.646 -25.227 1.00 11.33 N ATOM 277 CA THR A 19 9.853 -5.577 -24.612 1.00 2.30 C ATOM 278 C THR A 19 8.962 -4.870 -23.597 1.00 2.20 C ATOM 279 O THR A 19 8.782 -5.348 -22.477 1.00 43.23 O ATOM 280 CB THR A 19 10.589 -6.736 -23.913 1.00 52.41 C ATOM 281 OG1 THR A 19 9.641 -7.640 -23.335 1.00 51.11 O ATOM 282 CG2 THR A 19 11.521 -6.211 -22.832 1.00 3.12 C ATOM 0 H THR A 19 11.666 -4.530 -24.716 1.00 11.33 H new ATOM 0 HA THR A 19 9.235 -5.980 -25.415 1.00 2.30 H new ATOM 0 HB THR A 19 11.184 -7.262 -24.659 1.00 52.41 H new ATOM 0 HG1 THR A 19 9.094 -7.163 -22.676 1.00 51.11 H new ATOM 0 HG21 THR A 19 12.030 -7.047 -22.352 1.00 3.12 H new ATOM 0 HG22 THR A 19 12.259 -5.546 -23.280 1.00 3.12 H new ATOM 0 HG23 THR A 19 10.943 -5.663 -22.088 1.00 3.12 H new ATOM 290 N GLN A 20 8.407 -3.730 -23.996 1.00 71.22 N ATOM 291 CA GLN A 20 7.534 -2.958 -23.120 1.00 22.12 C ATOM 292 C GLN A 20 6.435 -3.838 -22.534 1.00 14.20 C ATOM 293 O GLN A 20 5.590 -4.360 -23.262 1.00 1.12 O ATOM 294 CB GLN A 20 6.914 -1.788 -23.885 1.00 10.31 C ATOM 295 CG GLN A 20 6.244 -2.198 -25.186 1.00 73.41 C ATOM 296 CD GLN A 20 5.801 -1.009 -26.015 1.00 62.14 C ATOM 297 OE1 GLN A 20 5.900 0.138 -25.579 1.00 14.03 O ATOM 298 NE2 GLN A 20 5.310 -1.277 -27.220 1.00 3.32 N ATOM 0 H GLN A 20 8.546 -3.321 -24.920 1.00 71.22 H new ATOM 0 HA GLN A 20 8.137 -2.567 -22.300 1.00 22.12 H new ATOM 0 HB2 GLN A 20 6.180 -1.296 -23.247 1.00 10.31 H new ATOM 0 HB3 GLN A 20 7.690 -1.054 -24.101 1.00 10.31 H new ATOM 0 HG2 GLN A 20 6.935 -2.806 -25.770 1.00 73.41 H new ATOM 0 HG3 GLN A 20 5.379 -2.823 -24.963 1.00 73.41 H new ATOM 0 HE21 GLN A 20 5.246 -2.243 -27.541 1.00 3.32 H new ATOM 0 HE22 GLN A 20 4.997 -0.517 -27.824 1.00 3.32 H new ATOM 307 N ASP A 21 6.452 -3.998 -21.215 1.00 54.24 N ATOM 308 CA ASP A 21 5.455 -4.814 -20.531 1.00 64.13 C ATOM 309 C ASP A 21 5.486 -4.561 -19.027 1.00 74.32 C ATOM 310 O ASP A 21 5.148 -5.439 -18.232 1.00 71.14 O ATOM 311 CB ASP A 21 5.697 -6.297 -20.817 1.00 32.12 C ATOM 312 CG ASP A 21 4.473 -6.983 -21.391 1.00 34.15 C ATOM 313 OD1 ASP A 21 3.348 -6.515 -21.117 1.00 51.44 O ATOM 314 OD2 ASP A 21 4.639 -7.989 -22.112 1.00 42.00 O ATOM 0 H ASP A 21 7.145 -3.574 -20.598 1.00 54.24 H new ATOM 0 HA ASP A 21 4.471 -4.535 -20.908 1.00 64.13 H new ATOM 0 HB2 ASP A 21 6.528 -6.399 -21.515 1.00 32.12 H new ATOM 0 HB3 ASP A 21 5.992 -6.798 -19.895 1.00 32.12 H new ATOM 319 N CYS A 22 5.893 -3.356 -18.643 1.00 22.30 N ATOM 320 CA CYS A 22 5.970 -2.987 -17.235 1.00 34.44 C ATOM 321 C CYS A 22 4.607 -3.124 -16.562 1.00 32.52 C ATOM 322 O CYS A 22 4.475 -3.785 -15.532 1.00 43.32 O ATOM 323 CB CYS A 22 6.481 -1.553 -17.089 1.00 13.23 C ATOM 324 SG CYS A 22 8.270 -1.368 -17.378 1.00 53.34 S ATOM 0 H CYS A 22 6.175 -2.618 -19.288 1.00 22.30 H new ATOM 0 HA CYS A 22 6.668 -3.666 -16.745 1.00 34.44 H new ATOM 0 HB2 CYS A 22 5.943 -0.914 -17.789 1.00 13.23 H new ATOM 0 HB3 CYS A 22 6.247 -1.196 -16.086 1.00 13.23 H new ATOM 329 N ASN A 23 3.596 -2.496 -17.152 1.00 53.42 N ATOM 330 CA ASN A 23 2.243 -2.547 -16.610 1.00 53.11 C ATOM 331 C ASN A 23 1.819 -3.987 -16.340 1.00 61.51 C ATOM 332 O ASN A 23 1.191 -4.282 -15.323 1.00 53.40 O ATOM 333 CB ASN A 23 1.258 -1.887 -17.577 1.00 41.34 C ATOM 334 CG ASN A 23 0.137 -1.163 -16.857 1.00 2.32 C ATOM 335 OD1 ASN A 23 -0.214 -0.035 -17.206 1.00 22.44 O ATOM 336 ND2 ASN A 23 -0.430 -1.809 -15.845 1.00 74.33 N ATOM 0 H ASN A 23 3.688 -1.946 -18.006 1.00 53.42 H new ATOM 0 HA ASN A 23 2.236 -2.002 -15.666 1.00 53.11 H new ATOM 0 HB2 ASN A 23 1.794 -1.181 -18.211 1.00 41.34 H new ATOM 0 HB3 ASN A 23 0.833 -2.647 -18.233 1.00 41.34 H new ATOM 0 HD21 ASN A 23 -1.189 -1.372 -15.322 1.00 74.33 H new ATOM 0 HD22 ASN A 23 -0.107 -2.742 -15.591 1.00 74.33 H new ATOM 343 N LYS A 24 2.168 -4.883 -17.258 1.00 10.22 N ATOM 344 CA LYS A 24 1.827 -6.294 -17.120 1.00 14.44 C ATOM 345 C LYS A 24 2.543 -6.912 -15.923 1.00 71.14 C ATOM 346 O LYS A 24 1.913 -7.514 -15.053 1.00 11.35 O ATOM 347 CB LYS A 24 2.192 -7.055 -18.396 1.00 33.22 C ATOM 348 CG LYS A 24 1.386 -8.327 -18.597 1.00 53.30 C ATOM 349 CD LYS A 24 0.614 -8.297 -19.906 1.00 11.55 C ATOM 350 CE LYS A 24 -0.249 -9.538 -20.072 1.00 40.14 C ATOM 351 NZ LYS A 24 0.010 -10.223 -21.369 1.00 22.42 N ATOM 0 H LYS A 24 2.687 -4.656 -18.106 1.00 10.22 H new ATOM 0 HA LYS A 24 0.752 -6.368 -16.956 1.00 14.44 H new ATOM 0 HB2 LYS A 24 2.042 -6.401 -19.255 1.00 33.22 H new ATOM 0 HB3 LYS A 24 3.252 -7.307 -18.368 1.00 33.22 H new ATOM 0 HG2 LYS A 24 2.055 -9.188 -18.587 1.00 53.30 H new ATOM 0 HG3 LYS A 24 0.691 -8.454 -17.767 1.00 53.30 H new ATOM 0 HD2 LYS A 24 -0.015 -7.408 -19.938 1.00 11.55 H new ATOM 0 HD3 LYS A 24 1.312 -8.224 -20.740 1.00 11.55 H new ATOM 0 HE2 LYS A 24 -0.054 -10.228 -19.251 1.00 40.14 H new ATOM 0 HE3 LYS A 24 -1.301 -9.260 -20.012 1.00 40.14 H new ATOM 0 HZ1 LYS A 24 -0.597 -11.064 -21.445 1.00 22.42 H new ATOM 0 HZ2 LYS A 24 -0.200 -9.573 -22.153 1.00 22.42 H new ATOM 0 HZ3 LYS A 24 1.008 -10.511 -21.416 1.00 22.42 H new ATOM 365 N LEU A 25 3.862 -6.759 -15.886 1.00 30.41 N ATOM 366 CA LEU A 25 4.664 -7.302 -14.795 1.00 3.21 C ATOM 367 C LEU A 25 4.209 -6.739 -13.452 1.00 42.23 C ATOM 368 O LEU A 25 4.155 -7.456 -12.452 1.00 41.35 O ATOM 369 CB LEU A 25 6.144 -6.986 -15.018 1.00 3.10 C ATOM 370 CG LEU A 25 7.137 -7.792 -14.179 1.00 75.23 C ATOM 371 CD1 LEU A 25 7.303 -9.192 -14.749 1.00 71.40 C ATOM 372 CD2 LEU A 25 8.479 -7.079 -14.110 1.00 62.43 C ATOM 0 H LEU A 25 4.399 -6.264 -16.598 1.00 30.41 H new ATOM 0 HA LEU A 25 4.528 -8.383 -14.780 1.00 3.21 H new ATOM 0 HB2 LEU A 25 6.374 -7.147 -16.071 1.00 3.10 H new ATOM 0 HB3 LEU A 25 6.303 -5.927 -14.815 1.00 3.10 H new ATOM 0 HG LEU A 25 6.742 -7.878 -13.167 1.00 75.23 H new ATOM 0 HD11 LEU A 25 8.013 -9.751 -14.140 1.00 71.40 H new ATOM 0 HD12 LEU A 25 6.340 -9.703 -14.745 1.00 71.40 H new ATOM 0 HD13 LEU A 25 7.675 -9.127 -15.771 1.00 71.40 H new ATOM 0 HD21 LEU A 25 9.173 -7.667 -13.509 1.00 62.43 H new ATOM 0 HD22 LEU A 25 8.880 -6.961 -15.116 1.00 62.43 H new ATOM 0 HD23 LEU A 25 8.347 -6.097 -13.655 1.00 62.43 H new ATOM 384 N CYS A 26 3.881 -5.451 -13.437 1.00 74.42 N ATOM 385 CA CYS A 26 3.428 -4.791 -12.219 1.00 30.44 C ATOM 386 C CYS A 26 2.142 -5.428 -11.701 1.00 33.44 C ATOM 387 O CYS A 26 2.060 -5.836 -10.541 1.00 70.45 O ATOM 388 CB CYS A 26 3.204 -3.300 -12.474 1.00 42.35 C ATOM 389 SG CYS A 26 4.035 -2.207 -11.276 1.00 75.14 S ATOM 0 H CYS A 26 3.921 -4.844 -14.256 1.00 74.42 H new ATOM 0 HA CYS A 26 4.203 -4.911 -11.462 1.00 30.44 H new ATOM 0 HB2 CYS A 26 3.556 -3.057 -13.476 1.00 42.35 H new ATOM 0 HB3 CYS A 26 2.133 -3.096 -12.454 1.00 42.35 H new ATOM 394 N THR A 27 1.138 -5.511 -12.568 1.00 54.11 N ATOM 395 CA THR A 27 -0.145 -6.097 -12.199 1.00 41.23 C ATOM 396 C THR A 27 0.003 -7.576 -11.864 1.00 32.43 C ATOM 397 O THR A 27 -0.557 -8.057 -10.879 1.00 60.21 O ATOM 398 CB THR A 27 -1.180 -5.939 -13.329 1.00 32.11 C ATOM 399 OG1 THR A 27 -0.704 -6.573 -14.522 1.00 11.53 O ATOM 400 CG2 THR A 27 -1.459 -4.470 -13.606 1.00 13.51 C ATOM 0 H THR A 27 1.189 -5.180 -13.531 1.00 54.11 H new ATOM 0 HA THR A 27 -0.496 -5.561 -11.317 1.00 41.23 H new ATOM 0 HB THR A 27 -2.108 -6.415 -13.011 1.00 32.11 H new ATOM 0 HG1 THR A 27 -0.066 -5.983 -14.974 1.00 11.53 H new ATOM 0 HG21 THR A 27 -2.193 -4.384 -14.408 1.00 13.51 H new ATOM 0 HG22 THR A 27 -1.849 -3.997 -12.705 1.00 13.51 H new ATOM 0 HG23 THR A 27 -0.535 -3.974 -13.905 1.00 13.51 H new ATOM 408 N GLU A 28 0.760 -8.293 -12.688 1.00 43.14 N ATOM 409 CA GLU A 28 0.981 -9.719 -12.478 1.00 14.25 C ATOM 410 C GLU A 28 1.459 -9.991 -11.054 1.00 45.33 C ATOM 411 O GLU A 28 0.832 -10.744 -10.311 1.00 4.44 O ATOM 412 CB GLU A 28 2.003 -10.254 -13.482 1.00 43.43 C ATOM 413 CG GLU A 28 1.392 -11.122 -14.569 1.00 22.43 C ATOM 414 CD GLU A 28 1.647 -12.601 -14.346 1.00 13.52 C ATOM 415 OE1 GLU A 28 1.504 -13.059 -13.193 1.00 21.11 O ATOM 416 OE2 GLU A 28 1.989 -13.298 -15.323 1.00 74.32 O ATOM 0 H GLU A 28 1.231 -7.910 -13.508 1.00 43.14 H new ATOM 0 HA GLU A 28 0.032 -10.233 -12.629 1.00 14.25 H new ATOM 0 HB2 GLU A 28 2.518 -9.413 -13.947 1.00 43.43 H new ATOM 0 HB3 GLU A 28 2.756 -10.833 -12.947 1.00 43.43 H new ATOM 0 HG2 GLU A 28 0.317 -10.944 -14.610 1.00 22.43 H new ATOM 0 HG3 GLU A 28 1.800 -10.828 -15.536 1.00 22.43 H new ATOM 423 N ASN A 29 2.576 -9.372 -10.684 1.00 12.15 N ATOM 424 CA ASN A 29 3.140 -9.548 -9.350 1.00 42.53 C ATOM 425 C ASN A 29 2.186 -9.022 -8.282 1.00 61.10 C ATOM 426 O ASN A 29 2.334 -9.326 -7.099 1.00 51.21 O ATOM 427 CB ASN A 29 4.487 -8.829 -9.245 1.00 51.12 C ATOM 428 CG ASN A 29 4.344 -7.401 -8.755 1.00 15.00 C ATOM 429 OD1 ASN A 29 4.075 -7.161 -7.578 1.00 34.12 O ATOM 430 ND2 ASN A 29 4.523 -6.445 -9.659 1.00 12.54 N ATOM 0 H ASN A 29 3.108 -8.745 -11.288 1.00 12.15 H new ATOM 0 HA ASN A 29 3.290 -10.615 -9.184 1.00 42.53 H new ATOM 0 HB2 ASN A 29 5.138 -9.380 -8.566 1.00 51.12 H new ATOM 0 HB3 ASN A 29 4.972 -8.828 -10.221 1.00 51.12 H new ATOM 0 HD21 ASN A 29 4.439 -5.465 -9.389 1.00 12.54 H new ATOM 0 HD22 ASN A 29 4.745 -6.691 -10.624 1.00 12.54 H new ATOM 437 N GLY A 30 1.206 -8.232 -8.709 1.00 14.32 N ATOM 438 CA GLY A 30 0.241 -7.677 -7.777 1.00 42.01 C ATOM 439 C GLY A 30 0.581 -6.258 -7.367 1.00 3.11 C ATOM 440 O GLY A 30 0.823 -5.986 -6.191 1.00 41.54 O ATOM 0 H GLY A 30 1.063 -7.966 -9.683 1.00 14.32 H new ATOM 0 HA2 GLY A 30 -0.749 -7.693 -8.232 1.00 42.01 H new ATOM 0 HA3 GLY A 30 0.194 -8.307 -6.889 1.00 42.01 H new ATOM 444 N ALA A 31 0.602 -5.352 -8.339 1.00 12.54 N ATOM 445 CA ALA A 31 0.915 -3.953 -8.072 1.00 73.03 C ATOM 446 C ALA A 31 -0.224 -3.041 -8.517 1.00 62.43 C ATOM 447 O ALA A 31 -1.143 -3.476 -9.210 1.00 54.51 O ATOM 448 CB ALA A 31 2.210 -3.560 -8.767 1.00 61.41 C ATOM 0 H ALA A 31 0.406 -5.561 -9.318 1.00 12.54 H new ATOM 0 HA ALA A 31 1.042 -3.834 -6.996 1.00 73.03 H new ATOM 0 HB1 ALA A 31 2.431 -2.513 -8.559 1.00 61.41 H new ATOM 0 HB2 ALA A 31 3.025 -4.183 -8.398 1.00 61.41 H new ATOM 0 HB3 ALA A 31 2.103 -3.702 -9.842 1.00 61.41 H new ATOM 454 N GLU A 32 -0.155 -1.777 -8.114 1.00 13.52 N ATOM 455 CA GLU A 32 -1.182 -0.805 -8.471 1.00 14.13 C ATOM 456 C GLU A 32 -1.043 -0.377 -9.929 1.00 0.53 C ATOM 457 O GLU A 32 -1.900 -0.676 -10.760 1.00 33.44 O ATOM 458 CB GLU A 32 -1.097 0.420 -7.557 1.00 64.25 C ATOM 459 CG GLU A 32 -2.367 1.253 -7.536 1.00 10.02 C ATOM 460 CD GLU A 32 -2.342 2.381 -8.548 1.00 41.45 C ATOM 461 OE1 GLU A 32 -1.595 3.358 -8.331 1.00 63.12 O ATOM 462 OE2 GLU A 32 -3.070 2.287 -9.559 1.00 0.21 O ATOM 0 H GLU A 32 0.600 -1.402 -7.541 1.00 13.52 H new ATOM 0 HA GLU A 32 -2.155 -1.279 -8.341 1.00 14.13 H new ATOM 0 HB2 GLU A 32 -0.872 0.091 -6.543 1.00 64.25 H new ATOM 0 HB3 GLU A 32 -0.266 1.047 -7.881 1.00 64.25 H new ATOM 0 HG2 GLU A 32 -3.223 0.609 -7.737 1.00 10.02 H new ATOM 0 HG3 GLU A 32 -2.508 1.668 -6.538 1.00 10.02 H new ATOM 469 N SER A 33 0.043 0.327 -10.231 1.00 44.13 N ATOM 470 CA SER A 33 0.294 0.801 -11.587 1.00 51.14 C ATOM 471 C SER A 33 1.744 0.552 -11.991 1.00 20.32 C ATOM 472 O SER A 33 2.636 0.503 -11.145 1.00 11.12 O ATOM 473 CB SER A 33 -0.028 2.293 -11.697 1.00 35.43 C ATOM 474 OG SER A 33 -1.175 2.509 -12.501 1.00 31.03 O ATOM 0 H SER A 33 0.763 0.582 -9.555 1.00 44.13 H new ATOM 0 HA SER A 33 -0.354 0.245 -12.264 1.00 51.14 H new ATOM 0 HB2 SER A 33 -0.194 2.707 -10.702 1.00 35.43 H new ATOM 0 HB3 SER A 33 0.824 2.822 -12.124 1.00 35.43 H new ATOM 0 HG SER A 33 -1.361 3.470 -12.554 1.00 31.03 H new ATOM 480 N GLY A 34 1.971 0.394 -13.291 1.00 43.04 N ATOM 481 CA GLY A 34 3.314 0.151 -13.786 1.00 10.33 C ATOM 482 C GLY A 34 3.483 0.569 -15.233 1.00 4.42 C ATOM 483 O GLY A 34 2.527 0.550 -16.008 1.00 11.52 O ATOM 0 H GLY A 34 1.249 0.430 -14.011 1.00 43.04 H new ATOM 0 HA2 GLY A 34 4.029 0.694 -13.168 1.00 10.33 H new ATOM 0 HA3 GLY A 34 3.548 -0.909 -13.688 1.00 10.33 H new ATOM 487 N TYR A 35 4.703 0.950 -15.598 1.00 74.41 N ATOM 488 CA TYR A 35 4.993 1.378 -16.961 1.00 43.40 C ATOM 489 C TYR A 35 6.491 1.589 -17.158 1.00 64.21 C ATOM 490 O TYR A 35 7.272 1.513 -16.208 1.00 74.45 O ATOM 491 CB TYR A 35 4.239 2.669 -17.284 1.00 11.44 C ATOM 492 CG TYR A 35 4.298 3.698 -16.177 1.00 34.22 C ATOM 493 CD1 TYR A 35 5.437 4.467 -15.976 1.00 63.04 C ATOM 494 CD2 TYR A 35 3.214 3.900 -15.331 1.00 21.42 C ATOM 495 CE1 TYR A 35 5.496 5.407 -14.966 1.00 51.30 C ATOM 496 CE2 TYR A 35 3.263 4.839 -14.319 1.00 23.41 C ATOM 497 CZ TYR A 35 4.406 5.590 -14.140 1.00 62.23 C ATOM 498 OH TYR A 35 4.460 6.525 -13.132 1.00 54.25 O ATOM 0 H TYR A 35 5.506 0.971 -14.969 1.00 74.41 H new ATOM 0 HA TYR A 35 4.662 0.592 -17.640 1.00 43.40 H new ATOM 0 HB2 TYR A 35 4.652 3.103 -18.194 1.00 11.44 H new ATOM 0 HB3 TYR A 35 3.196 2.429 -17.490 1.00 11.44 H new ATOM 0 HD1 TYR A 35 6.292 4.327 -16.621 1.00 63.04 H new ATOM 0 HD2 TYR A 35 2.318 3.313 -15.467 1.00 21.42 H new ATOM 0 HE1 TYR A 35 6.390 5.996 -14.823 1.00 51.30 H new ATOM 0 HE2 TYR A 35 2.411 4.984 -13.671 1.00 23.41 H new ATOM 0 HH TYR A 35 5.155 6.273 -12.489 1.00 54.25 H new ATOM 508 N CYS A 36 6.887 1.855 -18.399 1.00 34.24 N ATOM 509 CA CYS A 36 8.290 2.077 -18.723 1.00 43.05 C ATOM 510 C CYS A 36 8.666 3.544 -18.536 1.00 25.01 C ATOM 511 O CYS A 36 8.037 4.434 -19.107 1.00 34.31 O ATOM 512 CB CYS A 36 8.577 1.646 -20.163 1.00 73.32 C ATOM 513 SG CYS A 36 8.194 -0.102 -20.506 1.00 22.12 S ATOM 0 H CYS A 36 6.255 1.922 -19.197 1.00 34.24 H new ATOM 0 HA CYS A 36 8.893 1.476 -18.043 1.00 43.05 H new ATOM 0 HB2 CYS A 36 7.998 2.273 -20.841 1.00 73.32 H new ATOM 0 HB3 CYS A 36 9.629 1.826 -20.382 1.00 73.32 H new ATOM 518 N GLN A 37 9.697 3.787 -17.732 1.00 70.25 N ATOM 519 CA GLN A 37 10.156 5.145 -17.470 1.00 5.44 C ATOM 520 C GLN A 37 11.344 5.500 -18.358 1.00 51.15 C ATOM 521 O GLN A 37 12.496 5.267 -17.993 1.00 42.32 O ATOM 522 CB GLN A 37 10.542 5.300 -15.997 1.00 41.14 C ATOM 523 CG GLN A 37 9.662 6.280 -15.238 1.00 24.23 C ATOM 524 CD GLN A 37 9.858 7.713 -15.691 1.00 63.03 C ATOM 525 OE1 GLN A 37 10.952 8.102 -16.103 1.00 14.12 O ATOM 526 NE2 GLN A 37 8.797 8.507 -15.619 1.00 12.53 N ATOM 0 H GLN A 37 10.229 3.061 -17.252 1.00 70.25 H new ATOM 0 HA GLN A 37 9.338 5.828 -17.699 1.00 5.44 H new ATOM 0 HB2 GLN A 37 10.489 4.326 -15.512 1.00 41.14 H new ATOM 0 HB3 GLN A 37 11.579 5.631 -15.934 1.00 41.14 H new ATOM 0 HG2 GLN A 37 8.617 6.001 -15.370 1.00 24.23 H new ATOM 0 HG3 GLN A 37 9.879 6.207 -14.172 1.00 24.23 H new ATOM 0 HE21 GLN A 37 7.910 8.143 -15.271 1.00 12.53 H new ATOM 0 HE22 GLN A 37 8.869 9.482 -15.911 1.00 12.53 H new ATOM 535 N TRP A 38 11.055 6.063 -19.526 1.00 11.42 N ATOM 536 CA TRP A 38 12.100 6.450 -20.467 1.00 72.23 C ATOM 537 C TRP A 38 12.643 7.836 -20.139 1.00 52.21 C ATOM 538 O TRP A 38 12.200 8.836 -20.703 1.00 63.12 O ATOM 539 CB TRP A 38 11.560 6.426 -21.898 1.00 71.52 C ATOM 540 CG TRP A 38 12.010 5.230 -22.683 1.00 11.34 C ATOM 541 CD1 TRP A 38 12.349 4.004 -22.186 1.00 14.01 C ATOM 542 CD2 TRP A 38 12.172 5.149 -24.103 1.00 33.32 C ATOM 543 NE1 TRP A 38 12.711 3.165 -23.212 1.00 3.02 N ATOM 544 CE2 TRP A 38 12.610 3.843 -24.398 1.00 24.02 C ATOM 545 CE3 TRP A 38 11.987 6.051 -25.154 1.00 72.51 C ATOM 546 CZ2 TRP A 38 12.867 3.421 -25.699 1.00 63.44 C ATOM 547 CZ3 TRP A 38 12.242 5.630 -26.445 1.00 65.23 C ATOM 548 CH2 TRP A 38 12.678 4.324 -26.709 1.00 50.42 C ATOM 0 H TRP A 38 10.106 6.262 -19.844 1.00 11.42 H new ATOM 0 HA TRP A 38 12.915 5.732 -20.381 1.00 72.23 H new ATOM 0 HB2 TRP A 38 10.471 6.443 -21.868 1.00 71.52 H new ATOM 0 HB3 TRP A 38 11.879 7.331 -22.414 1.00 71.52 H new ATOM 0 HD1 TRP A 38 12.335 3.734 -21.140 1.00 14.01 H new ATOM 0 HE1 TRP A 38 13.007 2.195 -23.108 1.00 3.02 H new ATOM 0 HE3 TRP A 38 11.651 7.059 -24.961 1.00 72.51 H new ATOM 0 HZ2 TRP A 38 13.204 2.416 -25.904 1.00 63.44 H new ATOM 0 HZ3 TRP A 38 12.103 6.319 -27.265 1.00 65.23 H new ATOM 0 HH2 TRP A 38 12.868 4.025 -27.729 1.00 50.42 H new ATOM 559 N GLY A 39 13.605 7.889 -19.223 1.00 31.11 N ATOM 560 CA GLY A 39 14.192 9.158 -18.836 1.00 42.40 C ATOM 561 C GLY A 39 14.320 9.304 -17.333 1.00 12.04 C ATOM 562 O GLY A 39 13.597 10.084 -16.714 1.00 31.32 O ATOM 0 H GLY A 39 13.988 7.075 -18.742 1.00 31.11 H new ATOM 0 HA2 GLY A 39 15.177 9.253 -19.292 1.00 42.40 H new ATOM 0 HA3 GLY A 39 13.580 9.972 -19.226 1.00 42.40 H new ATOM 566 N GLY A 40 15.242 8.549 -16.742 1.00 40.45 N ATOM 567 CA GLY A 40 15.444 8.612 -15.307 1.00 33.33 C ATOM 568 C GLY A 40 16.911 8.618 -14.927 1.00 62.11 C ATOM 569 O GLY A 40 17.775 8.887 -15.762 1.00 24.32 O ATOM 0 H GLY A 40 15.852 7.895 -17.232 1.00 40.45 H new ATOM 0 HA2 GLY A 40 14.967 9.510 -14.915 1.00 33.33 H new ATOM 0 HA3 GLY A 40 14.954 7.760 -14.837 1.00 33.33 H new ATOM 573 N LYS A 41 17.195 8.323 -13.663 1.00 71.51 N ATOM 574 CA LYS A 41 18.568 8.295 -13.173 1.00 12.11 C ATOM 575 C LYS A 41 19.448 7.429 -14.068 1.00 41.13 C ATOM 576 O LYS A 41 20.496 7.871 -14.539 1.00 42.35 O ATOM 577 CB LYS A 41 18.608 7.768 -11.737 1.00 30.12 C ATOM 578 CG LYS A 41 19.511 8.573 -10.818 1.00 62.24 C ATOM 579 CD LYS A 41 18.717 9.564 -9.984 1.00 23.11 C ATOM 580 CE LYS A 41 19.632 10.462 -9.166 1.00 1.24 C ATOM 581 NZ LYS A 41 19.552 10.157 -7.710 1.00 63.23 N ATOM 0 H LYS A 41 16.492 8.100 -12.959 1.00 71.51 H new ATOM 0 HA LYS A 41 18.954 9.314 -13.191 1.00 12.11 H new ATOM 0 HB2 LYS A 41 17.597 7.769 -11.330 1.00 30.12 H new ATOM 0 HB3 LYS A 41 18.946 6.732 -11.748 1.00 30.12 H new ATOM 0 HG2 LYS A 41 20.057 7.897 -10.160 1.00 62.24 H new ATOM 0 HG3 LYS A 41 20.252 9.108 -11.412 1.00 62.24 H new ATOM 0 HD2 LYS A 41 18.095 10.175 -10.638 1.00 23.11 H new ATOM 0 HD3 LYS A 41 18.045 9.024 -9.318 1.00 23.11 H new ATOM 0 HE2 LYS A 41 20.660 10.340 -9.507 1.00 1.24 H new ATOM 0 HE3 LYS A 41 19.362 11.505 -9.334 1.00 1.24 H new ATOM 0 HZ1 LYS A 41 20.190 10.790 -7.187 1.00 63.23 H new ATOM 0 HZ2 LYS A 41 18.576 10.298 -7.379 1.00 63.23 H new ATOM 0 HZ3 LYS A 41 19.834 9.169 -7.546 1.00 63.23 H new ATOM 595 N TYR A 42 19.015 6.195 -14.300 1.00 62.11 N ATOM 596 CA TYR A 42 19.765 5.267 -15.138 1.00 74.25 C ATOM 597 C TYR A 42 19.206 5.242 -16.558 1.00 31.01 C ATOM 598 O TYR A 42 19.344 4.252 -17.275 1.00 24.23 O ATOM 599 CB TYR A 42 19.727 3.860 -14.539 1.00 15.22 C ATOM 600 CG TYR A 42 20.712 3.656 -13.410 1.00 41.14 C ATOM 601 CD1 TYR A 42 22.064 3.922 -13.586 1.00 3.41 C ATOM 602 CD2 TYR A 42 20.291 3.198 -12.168 1.00 75.22 C ATOM 603 CE1 TYR A 42 22.968 3.737 -12.558 1.00 22.41 C ATOM 604 CE2 TYR A 42 21.187 3.010 -11.134 1.00 41.50 C ATOM 605 CZ TYR A 42 22.525 3.281 -11.334 1.00 32.31 C ATOM 606 OH TYR A 42 23.422 3.096 -10.307 1.00 31.30 O ATOM 0 H TYR A 42 18.149 5.814 -13.920 1.00 62.11 H new ATOM 0 HA TYR A 42 20.799 5.609 -15.179 1.00 74.25 H new ATOM 0 HB2 TYR A 42 18.721 3.657 -14.173 1.00 15.22 H new ATOM 0 HB3 TYR A 42 19.933 3.134 -15.325 1.00 15.22 H new ATOM 0 HD1 TYR A 42 22.414 4.280 -14.543 1.00 3.41 H new ATOM 0 HD2 TYR A 42 19.244 2.985 -12.008 1.00 75.22 H new ATOM 0 HE1 TYR A 42 24.016 3.948 -12.712 1.00 22.41 H new ATOM 0 HE2 TYR A 42 20.842 2.653 -10.175 1.00 41.50 H new ATOM 0 HH TYR A 42 22.948 2.772 -9.513 1.00 31.30 H new ATOM 616 N GLY A 43 18.573 6.341 -16.957 1.00 42.23 N ATOM 617 CA GLY A 43 18.003 6.426 -18.289 1.00 50.41 C ATOM 618 C GLY A 43 16.671 5.711 -18.396 1.00 62.44 C ATOM 619 O GLY A 43 15.752 5.976 -17.623 1.00 2.31 O ATOM 0 H GLY A 43 18.445 7.174 -16.382 1.00 42.23 H new ATOM 0 HA2 GLY A 43 17.872 7.474 -18.559 1.00 50.41 H new ATOM 0 HA3 GLY A 43 18.701 5.997 -19.008 1.00 50.41 H new ATOM 623 N ASN A 44 16.566 4.801 -19.360 1.00 20.25 N ATOM 624 CA ASN A 44 15.336 4.046 -19.567 1.00 35.11 C ATOM 625 C ASN A 44 15.236 2.886 -18.581 1.00 64.32 C ATOM 626 O ASN A 44 15.922 1.874 -18.726 1.00 44.33 O ATOM 627 CB ASN A 44 15.272 3.518 -21.001 1.00 61.15 C ATOM 628 CG ASN A 44 16.556 2.829 -21.421 1.00 62.31 C ATOM 629 OD1 ASN A 44 17.581 3.477 -21.632 1.00 62.14 O ATOM 630 ND2 ASN A 44 16.505 1.507 -21.544 1.00 44.41 N ATOM 0 H ASN A 44 17.318 4.569 -20.009 1.00 20.25 H new ATOM 0 HA ASN A 44 14.495 4.718 -19.396 1.00 35.11 H new ATOM 0 HB2 ASN A 44 14.441 2.818 -21.091 1.00 61.15 H new ATOM 0 HB3 ASN A 44 15.067 4.345 -21.681 1.00 61.15 H new ATOM 0 HD21 ASN A 44 17.338 0.988 -21.824 1.00 44.41 H new ATOM 0 HD22 ASN A 44 15.633 1.011 -21.359 1.00 44.41 H new ATOM 637 N ALA A 45 14.377 3.040 -17.579 1.00 24.31 N ATOM 638 CA ALA A 45 14.186 2.004 -16.571 1.00 3.42 C ATOM 639 C ALA A 45 12.706 1.797 -16.271 1.00 14.14 C ATOM 640 O ALA A 45 11.907 2.731 -16.357 1.00 64.21 O ATOM 641 CB ALA A 45 14.940 2.361 -15.298 1.00 52.41 C ATOM 0 H ALA A 45 13.802 3.872 -17.443 1.00 24.31 H new ATOM 0 HA ALA A 45 14.584 1.069 -16.966 1.00 3.42 H new ATOM 0 HB1 ALA A 45 14.789 1.579 -14.554 1.00 52.41 H new ATOM 0 HB2 ALA A 45 16.004 2.451 -15.518 1.00 52.41 H new ATOM 0 HB3 ALA A 45 14.568 3.309 -14.909 1.00 52.41 H new ATOM 647 N CYS A 46 12.345 0.568 -15.918 1.00 74.21 N ATOM 648 CA CYS A 46 10.959 0.237 -15.606 1.00 65.01 C ATOM 649 C CYS A 46 10.537 0.862 -14.280 1.00 35.54 C ATOM 650 O CYS A 46 11.161 0.628 -13.245 1.00 4.20 O ATOM 651 CB CYS A 46 10.776 -1.281 -15.549 1.00 42.12 C ATOM 652 SG CYS A 46 9.037 -1.822 -15.592 1.00 42.03 S ATOM 0 H CYS A 46 12.993 -0.216 -15.841 1.00 74.21 H new ATOM 0 HA CYS A 46 10.327 0.643 -16.396 1.00 65.01 H new ATOM 0 HB2 CYS A 46 11.307 -1.732 -16.388 1.00 42.12 H new ATOM 0 HB3 CYS A 46 11.240 -1.658 -14.638 1.00 42.12 H new ATOM 657 N TRP A 47 9.473 1.655 -14.319 1.00 15.23 N ATOM 658 CA TRP A 47 8.966 2.313 -13.120 1.00 13.41 C ATOM 659 C TRP A 47 7.579 1.793 -12.759 1.00 13.44 C ATOM 660 O TRP A 47 6.796 1.422 -13.634 1.00 43.41 O ATOM 661 CB TRP A 47 8.918 3.828 -13.326 1.00 43.21 C ATOM 662 CG TRP A 47 8.238 4.559 -12.208 1.00 70.12 C ATOM 663 CD1 TRP A 47 6.893 4.716 -12.031 1.00 0.04 C ATOM 664 CD2 TRP A 47 8.871 5.233 -11.115 1.00 34.11 C ATOM 665 NE1 TRP A 47 6.651 5.447 -10.893 1.00 5.25 N ATOM 666 CE2 TRP A 47 7.848 5.776 -10.312 1.00 60.43 C ATOM 667 CE3 TRP A 47 10.201 5.429 -10.735 1.00 11.14 C ATOM 668 CZ2 TRP A 47 8.117 6.501 -9.155 1.00 13.22 C ATOM 669 CZ3 TRP A 47 10.466 6.150 -9.586 1.00 32.23 C ATOM 670 CH2 TRP A 47 9.428 6.678 -8.806 1.00 41.03 C ATOM 0 H TRP A 47 8.944 1.858 -15.167 1.00 15.23 H new ATOM 0 HA TRP A 47 9.644 2.086 -12.297 1.00 13.41 H new ATOM 0 HB2 TRP A 47 9.935 4.205 -13.431 1.00 43.21 H new ATOM 0 HB3 TRP A 47 8.399 4.044 -14.260 1.00 43.21 H new ATOM 0 HD1 TRP A 47 6.132 4.323 -12.689 1.00 0.04 H new ATOM 0 HE1 TRP A 47 5.730 5.703 -10.538 1.00 5.25 H new ATOM 0 HE3 TRP A 47 11.008 5.024 -11.328 1.00 11.14 H new ATOM 0 HZ2 TRP A 47 7.319 6.910 -8.553 1.00 13.22 H new ATOM 0 HZ3 TRP A 47 11.491 6.309 -9.284 1.00 32.23 H new ATOM 0 HH2 TRP A 47 9.668 7.235 -7.912 1.00 41.03 H new ATOM 681 N CYS A 48 7.279 1.769 -11.464 1.00 63.02 N ATOM 682 CA CYS A 48 5.986 1.294 -10.987 1.00 2.23 C ATOM 683 C CYS A 48 5.491 2.146 -9.821 1.00 73.42 C ATOM 684 O CYS A 48 6.285 2.734 -9.087 1.00 64.40 O ATOM 685 CB CYS A 48 6.084 -0.171 -10.557 1.00 4.22 C ATOM 686 SG CYS A 48 5.670 -1.361 -11.872 1.00 75.01 S ATOM 0 H CYS A 48 7.914 2.073 -10.726 1.00 63.02 H new ATOM 0 HA CYS A 48 5.271 1.378 -11.806 1.00 2.23 H new ATOM 0 HB2 CYS A 48 7.098 -0.369 -10.208 1.00 4.22 H new ATOM 0 HB3 CYS A 48 5.418 -0.335 -9.710 1.00 4.22 H new ATOM 691 N ILE A 49 4.173 2.206 -9.658 1.00 45.11 N ATOM 692 CA ILE A 49 3.572 2.984 -8.582 1.00 24.22 C ATOM 693 C ILE A 49 2.787 2.089 -7.630 1.00 35.24 C ATOM 694 O ILE A 49 1.964 1.279 -8.057 1.00 72.24 O ATOM 695 CB ILE A 49 2.636 4.076 -9.132 1.00 4.35 C ATOM 696 CG1 ILE A 49 3.385 4.967 -10.125 1.00 1.53 C ATOM 697 CG2 ILE A 49 2.065 4.907 -7.992 1.00 45.21 C ATOM 698 CD1 ILE A 49 2.478 5.877 -10.923 1.00 71.04 C ATOM 0 H ILE A 49 3.502 1.725 -10.257 1.00 45.11 H new ATOM 0 HA ILE A 49 4.390 3.458 -8.040 1.00 24.22 H new ATOM 0 HB ILE A 49 1.809 3.596 -9.655 1.00 4.35 H new ATOM 0 HG12 ILE A 49 4.109 5.574 -9.582 1.00 1.53 H new ATOM 0 HG13 ILE A 49 3.950 4.337 -10.812 1.00 1.53 H new ATOM 0 HG21 ILE A 49 1.405 5.675 -8.396 1.00 45.21 H new ATOM 0 HG22 ILE A 49 1.501 4.262 -7.319 1.00 45.21 H new ATOM 0 HG23 ILE A 49 2.879 5.380 -7.444 1.00 45.21 H new ATOM 0 HD11 ILE A 49 3.077 6.479 -11.606 1.00 71.04 H new ATOM 0 HD12 ILE A 49 1.771 5.276 -11.494 1.00 71.04 H new ATOM 0 HD13 ILE A 49 1.932 6.533 -10.245 1.00 71.04 H new ATOM 710 N LYS A 50 3.044 2.241 -6.335 1.00 50.40 N ATOM 711 CA LYS A 50 2.359 1.450 -5.320 1.00 2.13 C ATOM 712 C LYS A 50 2.641 -0.037 -5.507 1.00 62.24 C ATOM 713 O LYS A 50 1.875 -0.747 -6.159 1.00 74.45 O ATOM 714 CB LYS A 50 0.851 1.705 -5.376 1.00 3.20 C ATOM 715 CG LYS A 50 0.381 2.783 -4.415 1.00 54.21 C ATOM 716 CD LYS A 50 -1.120 2.710 -4.186 1.00 62.32 C ATOM 717 CE LYS A 50 -1.821 3.967 -4.677 1.00 3.33 C ATOM 718 NZ LYS A 50 -2.108 4.912 -3.562 1.00 53.44 N ATOM 0 H LYS A 50 3.723 2.906 -5.964 1.00 50.40 H new ATOM 0 HA LYS A 50 2.736 1.753 -4.343 1.00 2.13 H new ATOM 0 HB2 LYS A 50 0.577 1.990 -6.392 1.00 3.20 H new ATOM 0 HB3 LYS A 50 0.325 0.777 -5.153 1.00 3.20 H new ATOM 0 HG2 LYS A 50 0.901 2.675 -3.463 1.00 54.21 H new ATOM 0 HG3 LYS A 50 0.642 3.764 -4.811 1.00 54.21 H new ATOM 0 HD2 LYS A 50 -1.526 1.840 -4.703 1.00 62.32 H new ATOM 0 HD3 LYS A 50 -1.321 2.572 -3.124 1.00 62.32 H new ATOM 0 HE2 LYS A 50 -1.199 4.463 -5.422 1.00 3.33 H new ATOM 0 HE3 LYS A 50 -2.753 3.694 -5.171 1.00 3.33 H new ATOM 0 HZ1 LYS A 50 -2.586 5.756 -3.937 1.00 53.44 H new ATOM 0 HZ2 LYS A 50 -2.722 4.448 -2.863 1.00 53.44 H new ATOM 0 HZ3 LYS A 50 -1.216 5.193 -3.107 1.00 53.44 H new ATOM 732 N LEU A 51 3.744 -0.503 -4.931 1.00 50.25 N ATOM 733 CA LEU A 51 4.126 -1.907 -5.034 1.00 4.10 C ATOM 734 C LEU A 51 4.260 -2.537 -3.651 1.00 75.35 C ATOM 735 O LEU A 51 4.753 -1.922 -2.706 1.00 54.52 O ATOM 736 CB LEU A 51 5.445 -2.042 -5.798 1.00 33.31 C ATOM 737 CG LEU A 51 5.464 -3.075 -6.925 1.00 61.41 C ATOM 738 CD1 LEU A 51 5.805 -2.413 -8.251 1.00 14.32 C ATOM 739 CD2 LEU A 51 6.455 -4.187 -6.612 1.00 61.25 C ATOM 0 H LEU A 51 4.389 0.071 -4.388 1.00 50.25 H new ATOM 0 HA LEU A 51 3.342 -2.433 -5.579 1.00 4.10 H new ATOM 0 HB2 LEU A 51 5.699 -1.069 -6.219 1.00 33.31 H new ATOM 0 HB3 LEU A 51 6.230 -2.296 -5.086 1.00 33.31 H new ATOM 0 HG LEU A 51 4.469 -3.513 -7.007 1.00 61.41 H new ATOM 0 HD11 LEU A 51 5.814 -3.164 -9.041 1.00 14.32 H new ATOM 0 HD12 LEU A 51 5.058 -1.653 -8.481 1.00 14.32 H new ATOM 0 HD13 LEU A 51 6.788 -1.947 -8.183 1.00 14.32 H new ATOM 0 HD21 LEU A 51 6.455 -4.913 -7.425 1.00 61.25 H new ATOM 0 HD22 LEU A 51 7.454 -3.764 -6.503 1.00 61.25 H new ATOM 0 HD23 LEU A 51 6.167 -4.681 -5.684 1.00 61.25 H new ATOM 751 N PRO A 52 3.812 -3.796 -3.529 1.00 52.21 N ATOM 752 CA PRO A 52 3.873 -4.538 -2.267 1.00 32.44 C ATOM 753 C PRO A 52 5.301 -4.905 -1.878 1.00 0.41 C ATOM 754 O PRO A 52 6.174 -5.037 -2.736 1.00 54.13 O ATOM 755 CB PRO A 52 3.057 -5.801 -2.558 1.00 5.30 C ATOM 756 CG PRO A 52 3.147 -5.977 -4.035 1.00 12.04 C ATOM 757 CD PRO A 52 3.212 -4.591 -4.614 1.00 2.12 C ATOM 0 HA PRO A 52 3.493 -3.951 -1.431 1.00 32.44 H new ATOM 0 HB2 PRO A 52 3.462 -6.665 -2.031 1.00 5.30 H new ATOM 0 HB3 PRO A 52 2.022 -5.687 -2.235 1.00 5.30 H new ATOM 0 HG2 PRO A 52 4.031 -6.555 -4.306 1.00 12.04 H new ATOM 0 HG3 PRO A 52 2.282 -6.519 -4.417 1.00 12.04 H new ATOM 0 HD2 PRO A 52 3.820 -4.561 -5.518 1.00 2.12 H new ATOM 0 HD3 PRO A 52 2.223 -4.221 -4.883 1.00 2.12 H new ATOM 765 N ASP A 53 5.533 -5.068 -0.580 1.00 15.50 N ATOM 766 CA ASP A 53 6.855 -5.420 -0.078 1.00 24.34 C ATOM 767 C ASP A 53 7.345 -6.722 -0.704 1.00 63.03 C ATOM 768 O ASP A 53 8.548 -6.939 -0.847 1.00 64.44 O ATOM 769 CB ASP A 53 6.827 -5.552 1.446 1.00 63.21 C ATOM 770 CG ASP A 53 8.003 -4.862 2.109 1.00 41.35 C ATOM 771 OD1 ASP A 53 8.221 -3.664 1.831 1.00 54.02 O ATOM 772 OD2 ASP A 53 8.706 -5.519 2.904 1.00 24.32 O ATOM 0 H ASP A 53 4.822 -4.962 0.143 1.00 15.50 H new ATOM 0 HA ASP A 53 7.545 -4.623 -0.354 1.00 24.34 H new ATOM 0 HB2 ASP A 53 5.898 -5.128 1.827 1.00 63.21 H new ATOM 0 HB3 ASP A 53 6.830 -6.608 1.716 1.00 63.21 H new ATOM 777 N SER A 54 6.405 -7.585 -1.075 1.00 52.03 N ATOM 778 CA SER A 54 6.741 -8.868 -1.682 1.00 52.41 C ATOM 779 C SER A 54 7.734 -8.684 -2.825 1.00 63.14 C ATOM 780 O SER A 54 8.549 -9.565 -3.103 1.00 54.30 O ATOM 781 CB SER A 54 5.477 -9.559 -2.196 1.00 73.31 C ATOM 782 OG SER A 54 5.321 -10.840 -1.609 1.00 2.53 O ATOM 0 H SER A 54 5.404 -7.419 -0.966 1.00 52.03 H new ATOM 0 HA SER A 54 7.204 -9.494 -0.919 1.00 52.41 H new ATOM 0 HB2 SER A 54 4.606 -8.944 -1.971 1.00 73.31 H new ATOM 0 HB3 SER A 54 5.527 -9.656 -3.280 1.00 73.31 H new ATOM 0 HG SER A 54 4.505 -11.260 -1.953 1.00 2.53 H new ATOM 788 N VAL A 55 7.661 -7.533 -3.486 1.00 12.22 N ATOM 789 CA VAL A 55 8.553 -7.231 -4.599 1.00 24.54 C ATOM 790 C VAL A 55 9.202 -5.862 -4.428 1.00 32.33 C ATOM 791 O VAL A 55 8.723 -4.852 -4.944 1.00 31.33 O ATOM 792 CB VAL A 55 7.805 -7.269 -5.944 1.00 41.43 C ATOM 793 CG1 VAL A 55 8.720 -6.827 -7.076 1.00 71.15 C ATOM 794 CG2 VAL A 55 7.251 -8.661 -6.207 1.00 44.23 C ATOM 0 H VAL A 55 6.992 -6.794 -3.270 1.00 12.22 H new ATOM 0 HA VAL A 55 9.327 -7.998 -4.601 1.00 24.54 H new ATOM 0 HB VAL A 55 6.967 -6.574 -5.894 1.00 41.43 H new ATOM 0 HG11 VAL A 55 8.174 -6.860 -8.019 1.00 71.15 H new ATOM 0 HG12 VAL A 55 9.063 -5.809 -6.891 1.00 71.15 H new ATOM 0 HG13 VAL A 55 9.580 -7.495 -7.131 1.00 71.15 H new ATOM 0 HG21 VAL A 55 6.725 -8.669 -7.162 1.00 44.23 H new ATOM 0 HG22 VAL A 55 8.071 -9.379 -6.238 1.00 44.23 H new ATOM 0 HG23 VAL A 55 6.559 -8.934 -5.410 1.00 44.23 H new ATOM 804 N PRO A 56 10.319 -5.825 -3.686 1.00 71.12 N ATOM 805 CA PRO A 56 11.058 -4.586 -3.431 1.00 5.54 C ATOM 806 C PRO A 56 11.753 -4.057 -4.681 1.00 5.13 C ATOM 807 O PRO A 56 12.422 -4.806 -5.394 1.00 3.43 O ATOM 808 CB PRO A 56 12.091 -4.999 -2.379 1.00 41.01 C ATOM 809 CG PRO A 56 12.279 -6.462 -2.588 1.00 23.04 C ATOM 810 CD PRO A 56 10.946 -6.990 -3.041 1.00 24.54 C ATOM 0 HA PRO A 56 10.400 -3.779 -3.109 1.00 5.54 H new ATOM 0 HB2 PRO A 56 13.028 -4.457 -2.509 1.00 41.01 H new ATOM 0 HB3 PRO A 56 11.737 -4.785 -1.371 1.00 41.01 H new ATOM 0 HG2 PRO A 56 13.049 -6.654 -3.335 1.00 23.04 H new ATOM 0 HG3 PRO A 56 12.600 -6.950 -1.667 1.00 23.04 H new ATOM 0 HD2 PRO A 56 11.059 -7.822 -3.736 1.00 24.54 H new ATOM 0 HD3 PRO A 56 10.352 -7.353 -2.203 1.00 24.54 H new ATOM 818 N ILE A 57 11.591 -2.764 -4.940 1.00 42.12 N ATOM 819 CA ILE A 57 12.205 -2.136 -6.104 1.00 12.14 C ATOM 820 C ILE A 57 13.712 -2.368 -6.123 1.00 72.30 C ATOM 821 O ILE A 57 14.265 -2.999 -5.222 1.00 15.25 O ATOM 822 CB ILE A 57 11.930 -0.621 -6.136 1.00 50.11 C ATOM 823 CG1 ILE A 57 12.304 0.016 -4.796 1.00 43.33 C ATOM 824 CG2 ILE A 57 10.469 -0.355 -6.466 1.00 12.44 C ATOM 825 CD1 ILE A 57 13.785 0.292 -4.651 1.00 35.43 C ATOM 0 H ILE A 57 11.040 -2.131 -4.360 1.00 42.12 H new ATOM 0 HA ILE A 57 11.758 -2.597 -6.984 1.00 12.14 H new ATOM 0 HB ILE A 57 12.546 -0.171 -6.915 1.00 50.11 H new ATOM 0 HG12 ILE A 57 11.755 0.951 -4.681 1.00 43.33 H new ATOM 0 HG13 ILE A 57 11.984 -0.642 -3.988 1.00 43.33 H new ATOM 0 HG21 ILE A 57 10.290 0.720 -6.485 1.00 12.44 H new ATOM 0 HG22 ILE A 57 10.233 -0.779 -7.442 1.00 12.44 H new ATOM 0 HG23 ILE A 57 9.835 -0.815 -5.708 1.00 12.44 H new ATOM 0 HD11 ILE A 57 13.977 0.743 -3.678 1.00 35.43 H new ATOM 0 HD12 ILE A 57 14.339 -0.643 -4.733 1.00 35.43 H new ATOM 0 HD13 ILE A 57 14.107 0.975 -5.437 1.00 35.43 H new ATOM 837 N ARG A 58 14.371 -1.853 -7.156 1.00 22.44 N ATOM 838 CA ARG A 58 15.815 -2.004 -7.292 1.00 72.23 C ATOM 839 C ARG A 58 16.548 -1.243 -6.191 1.00 54.04 C ATOM 840 O ARG A 58 16.461 -0.018 -6.106 1.00 4.10 O ATOM 841 CB ARG A 58 16.274 -1.506 -8.664 1.00 15.31 C ATOM 842 CG ARG A 58 17.280 -2.423 -9.340 1.00 13.41 C ATOM 843 CD ARG A 58 18.668 -2.264 -8.741 1.00 4.40 C ATOM 844 NE ARG A 58 19.680 -2.988 -9.505 1.00 63.40 N ATOM 845 CZ ARG A 58 20.944 -3.116 -9.115 1.00 72.04 C ATOM 846 NH1 ARG A 58 21.348 -2.571 -7.977 1.00 1.44 N ATOM 847 NH2 ARG A 58 21.806 -3.791 -9.865 1.00 53.14 N ATOM 0 H ARG A 58 13.928 -1.328 -7.910 1.00 22.44 H new ATOM 0 HA ARG A 58 16.055 -3.063 -7.198 1.00 72.23 H new ATOM 0 HB2 ARG A 58 15.404 -1.396 -9.311 1.00 15.31 H new ATOM 0 HB3 ARG A 58 16.716 -0.516 -8.553 1.00 15.31 H new ATOM 0 HG2 ARG A 58 16.955 -3.459 -9.239 1.00 13.41 H new ATOM 0 HG3 ARG A 58 17.315 -2.203 -10.407 1.00 13.41 H new ATOM 0 HD2 ARG A 58 18.929 -1.206 -8.706 1.00 4.40 H new ATOM 0 HD3 ARG A 58 18.663 -2.626 -7.713 1.00 4.40 H new ATOM 0 HE ARG A 58 19.402 -3.419 -10.386 1.00 63.40 H new ATOM 0 HH11 ARG A 58 20.688 -2.052 -7.398 1.00 1.44 H new ATOM 0 HH12 ARG A 58 22.319 -2.671 -7.680 1.00 1.44 H new ATOM 0 HH21 ARG A 58 21.499 -4.212 -10.742 1.00 53.14 H new ATOM 0 HH22 ARG A 58 22.776 -3.889 -9.565 1.00 53.14 H new ATOM 861 N VAL A 59 17.268 -1.978 -5.350 1.00 3.40 N ATOM 862 CA VAL A 59 18.017 -1.372 -4.255 1.00 34.33 C ATOM 863 C VAL A 59 19.448 -1.060 -4.674 1.00 45.53 C ATOM 864 O VAL A 59 19.994 -1.656 -5.603 1.00 52.54 O ATOM 865 CB VAL A 59 18.044 -2.291 -3.019 1.00 25.21 C ATOM 866 CG1 VAL A 59 16.675 -2.342 -2.360 1.00 15.21 C ATOM 867 CG2 VAL A 59 18.512 -3.687 -3.404 1.00 1.34 C ATOM 0 H VAL A 59 17.349 -2.993 -5.406 1.00 3.40 H new ATOM 0 HA VAL A 59 17.507 -0.444 -3.998 1.00 34.33 H new ATOM 0 HB VAL A 59 18.751 -1.881 -2.298 1.00 25.21 H new ATOM 0 HG11 VAL A 59 16.715 -2.996 -1.489 1.00 15.21 H new ATOM 0 HG12 VAL A 59 16.384 -1.339 -2.048 1.00 15.21 H new ATOM 0 HG13 VAL A 59 15.943 -2.727 -3.070 1.00 15.21 H new ATOM 0 HG21 VAL A 59 18.525 -4.323 -2.519 1.00 1.34 H new ATOM 0 HG22 VAL A 59 17.831 -4.108 -4.144 1.00 1.34 H new ATOM 0 HG23 VAL A 59 19.516 -3.631 -3.826 1.00 1.34 H new ATOM 877 N PRO A 60 20.074 -0.102 -3.974 1.00 25.00 N ATOM 878 CA PRO A 60 21.452 0.311 -4.255 1.00 5.51 C ATOM 879 C PRO A 60 22.468 -0.763 -3.881 1.00 12.24 C ATOM 880 O PRO A 60 22.772 -0.961 -2.705 1.00 51.30 O ATOM 881 CB PRO A 60 21.637 1.551 -3.376 1.00 40.10 C ATOM 882 CG PRO A 60 20.663 1.374 -2.263 1.00 3.35 C ATOM 883 CD PRO A 60 19.485 0.650 -2.854 1.00 3.35 C ATOM 0 HA PRO A 60 21.613 0.496 -5.317 1.00 5.51 H new ATOM 0 HB2 PRO A 60 22.658 1.622 -3.001 1.00 40.10 H new ATOM 0 HB3 PRO A 60 21.438 2.466 -3.935 1.00 40.10 H new ATOM 0 HG2 PRO A 60 21.103 0.801 -1.447 1.00 3.35 H new ATOM 0 HG3 PRO A 60 20.362 2.337 -1.851 1.00 3.35 H new ATOM 0 HD2 PRO A 60 19.015 -0.013 -2.128 1.00 3.35 H new ATOM 0 HD3 PRO A 60 18.717 1.344 -3.196 1.00 3.35 H new ATOM 891 N GLY A 61 22.990 -1.454 -4.889 1.00 60.50 N ATOM 892 CA GLY A 61 23.966 -2.500 -4.645 1.00 22.15 C ATOM 893 C GLY A 61 24.349 -3.243 -5.909 1.00 72.30 C ATOM 894 O GLY A 61 24.200 -2.722 -7.014 1.00 52.33 O ATOM 0 H GLY A 61 22.755 -1.308 -5.871 1.00 60.50 H new ATOM 0 HA2 GLY A 61 24.859 -2.062 -4.200 1.00 22.15 H new ATOM 0 HA3 GLY A 61 23.563 -3.207 -3.920 1.00 22.15 H new ATOM 898 N LYS A 62 24.845 -4.465 -5.748 1.00 24.21 N ATOM 899 CA LYS A 62 25.252 -5.282 -6.885 1.00 34.50 C ATOM 900 C LYS A 62 24.114 -6.195 -7.333 1.00 43.45 C ATOM 901 O LYS A 62 23.129 -6.373 -6.617 1.00 73.11 O ATOM 902 CB LYS A 62 26.480 -6.121 -6.524 1.00 32.03 C ATOM 903 CG LYS A 62 27.656 -5.911 -7.461 1.00 25.50 C ATOM 904 CD LYS A 62 28.845 -6.772 -7.065 1.00 73.03 C ATOM 905 CE LYS A 62 30.098 -6.379 -7.833 1.00 13.13 C ATOM 906 NZ LYS A 62 30.901 -7.568 -8.230 1.00 31.33 N ATOM 0 H LYS A 62 24.975 -4.912 -4.840 1.00 24.21 H new ATOM 0 HA LYS A 62 25.505 -4.614 -7.708 1.00 34.50 H new ATOM 0 HB2 LYS A 62 26.789 -5.879 -5.507 1.00 32.03 H new ATOM 0 HB3 LYS A 62 26.204 -7.176 -6.531 1.00 32.03 H new ATOM 0 HG2 LYS A 62 27.357 -6.150 -8.482 1.00 25.50 H new ATOM 0 HG3 LYS A 62 27.947 -4.861 -7.452 1.00 25.50 H new ATOM 0 HD2 LYS A 62 29.027 -6.673 -5.995 1.00 73.03 H new ATOM 0 HD3 LYS A 62 28.615 -7.821 -7.254 1.00 73.03 H new ATOM 0 HE2 LYS A 62 29.817 -5.817 -8.724 1.00 13.13 H new ATOM 0 HE3 LYS A 62 30.708 -5.717 -7.218 1.00 13.13 H new ATOM 0 HZ1 LYS A 62 31.746 -7.258 -8.751 1.00 31.33 H new ATOM 0 HZ2 LYS A 62 31.191 -8.091 -7.379 1.00 31.33 H new ATOM 0 HZ3 LYS A 62 30.327 -8.187 -8.838 1.00 31.33 H new ATOM 920 N CYS A 63 24.258 -6.771 -8.522 1.00 53.12 N ATOM 921 CA CYS A 63 23.243 -7.666 -9.066 1.00 44.42 C ATOM 922 C CYS A 63 23.744 -9.107 -9.086 1.00 34.24 C ATOM 923 O CYS A 63 24.936 -9.358 -9.258 1.00 40.11 O ATOM 924 CB CYS A 63 22.855 -7.230 -10.480 1.00 74.13 C ATOM 925 SG CYS A 63 21.643 -8.324 -11.288 1.00 55.14 S ATOM 0 H CYS A 63 25.068 -6.634 -9.127 1.00 53.12 H new ATOM 0 HA CYS A 63 22.365 -7.614 -8.423 1.00 44.42 H new ATOM 0 HB2 CYS A 63 22.446 -6.220 -10.438 1.00 74.13 H new ATOM 0 HB3 CYS A 63 23.754 -7.185 -11.094 1.00 74.13 H new ATOM 930 N GLN A 64 22.823 -10.049 -8.908 1.00 23.53 N ATOM 931 CA GLN A 64 23.171 -11.465 -8.904 1.00 63.54 C ATOM 932 C GLN A 64 21.930 -12.332 -9.088 1.00 55.44 C ATOM 933 O GLN A 64 20.938 -11.897 -9.675 1.00 13.31 O ATOM 934 CB GLN A 64 23.877 -11.836 -7.599 1.00 0.22 C ATOM 935 CG GLN A 64 23.153 -11.345 -6.355 1.00 43.25 C ATOM 936 CD GLN A 64 23.981 -11.507 -5.096 1.00 21.11 C ATOM 937 OE1 GLN A 64 23.794 -12.457 -4.335 1.00 4.34 O ATOM 938 NE2 GLN A 64 24.903 -10.579 -4.869 1.00 40.34 N ATOM 0 H GLN A 64 21.831 -9.857 -8.765 1.00 23.53 H new ATOM 0 HA GLN A 64 23.847 -11.648 -9.739 1.00 63.54 H new ATOM 0 HB2 GLN A 64 23.979 -12.920 -7.546 1.00 0.22 H new ATOM 0 HB3 GLN A 64 24.885 -11.421 -7.610 1.00 0.22 H new ATOM 0 HG2 GLN A 64 22.893 -10.294 -6.482 1.00 43.25 H new ATOM 0 HG3 GLN A 64 22.218 -11.894 -6.243 1.00 43.25 H new ATOM 0 HE21 GLN A 64 25.024 -9.809 -5.527 1.00 40.34 H new ATOM 0 HE22 GLN A 64 25.490 -10.636 -4.037 1.00 40.34 H new