USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 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+ 161:sc= -0.176 (180deg=-0.581) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0695 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.82 K(o=-1.8,f=-9.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 19 THR OG1 : rot -177:sc= -0.703 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 23 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.61) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -95:sc= 0.489 USER MOD Single : A 29 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 33 SER OG : rot 2:sc= 0.344 USER MOD Single : A 35 TYR OH : rot -59:sc= 0.0245 USER MOD Single : A 37 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.23) 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=-0.00482 K(o=-0.0048,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.718 -0.798 -0.279 1.00 23.21 N ATOM 2 CA VAL A 1 2.264 -0.616 -1.619 1.00 34.32 C ATOM 3 C VAL A 1 2.948 0.739 -1.754 1.00 52.33 C ATOM 4 O VAL A 1 2.518 1.726 -1.156 1.00 30.41 O ATOM 5 CB VAL A 1 1.166 -0.734 -2.692 1.00 74.54 C ATOM 6 CG1 VAL A 1 0.830 -2.195 -2.955 1.00 44.31 C ATOM 7 CG2 VAL A 1 -0.075 0.039 -2.272 1.00 73.32 C ATOM 0 H1 VAL A 1 1.000 -1.550 -0.296 1.00 23.21 H new ATOM 0 H2 VAL A 1 2.482 -1.063 0.374 1.00 23.21 H new ATOM 0 H3 VAL A 1 1.281 0.090 0.041 1.00 23.21 H new ATOM 0 HA VAL A 1 2.998 -1.407 -1.772 1.00 34.32 H new ATOM 0 HB VAL A 1 1.541 -0.300 -3.619 1.00 74.54 H new ATOM 0 HG11 VAL A 1 0.052 -2.258 -3.716 1.00 44.31 H new ATOM 0 HG12 VAL A 1 1.722 -2.716 -3.303 1.00 44.31 H new ATOM 0 HG13 VAL A 1 0.475 -2.658 -2.034 1.00 44.31 H new ATOM 0 HG21 VAL A 1 -0.841 -0.055 -3.042 1.00 73.32 H new ATOM 0 HG22 VAL A 1 -0.454 -0.364 -1.333 1.00 73.32 H new ATOM 0 HG23 VAL A 1 0.179 1.091 -2.140 1.00 73.32 H new ATOM 17 N ARG A 2 4.015 0.781 -2.545 1.00 60.22 N ATOM 18 CA ARG A 2 4.760 2.016 -2.759 1.00 72.32 C ATOM 19 C ARG A 2 5.281 2.095 -4.191 1.00 41.11 C ATOM 20 O ARG A 2 5.613 1.077 -4.799 1.00 2.23 O ATOM 21 CB ARG A 2 5.927 2.110 -1.774 1.00 73.34 C ATOM 22 CG ARG A 2 6.998 1.054 -1.997 1.00 13.45 C ATOM 23 CD ARG A 2 6.604 -0.278 -1.378 1.00 54.04 C ATOM 24 NE ARG A 2 7.531 -0.690 -0.328 1.00 43.14 N ATOM 25 CZ ARG A 2 7.256 -1.632 0.567 1.00 4.31 C ATOM 26 NH1 ARG A 2 6.087 -2.256 0.540 1.00 60.02 N ATOM 27 NH2 ARG A 2 8.152 -1.951 1.492 1.00 24.12 N ATOM 0 H ARG A 2 4.383 -0.026 -3.048 1.00 60.22 H new ATOM 0 HA ARG A 2 4.083 2.853 -2.590 1.00 72.32 H new ATOM 0 HB2 ARG A 2 6.380 3.098 -1.854 1.00 73.34 H new ATOM 0 HB3 ARG A 2 5.543 2.017 -0.758 1.00 73.34 H new ATOM 0 HG2 ARG A 2 7.166 0.924 -3.066 1.00 13.45 H new ATOM 0 HG3 ARG A 2 7.940 1.393 -1.565 1.00 13.45 H new ATOM 0 HD2 ARG A 2 5.598 -0.202 -0.964 1.00 54.04 H new ATOM 0 HD3 ARG A 2 6.572 -1.043 -2.154 1.00 54.04 H new ATOM 0 HE ARG A 2 8.440 -0.229 -0.279 1.00 43.14 H new ATOM 0 HH11 ARG A 2 5.396 -2.013 -0.170 1.00 60.02 H new ATOM 0 HH12 ARG A 2 5.879 -2.979 1.229 1.00 60.02 H new ATOM 0 HH21 ARG A 2 9.053 -1.473 1.516 1.00 24.12 H new ATOM 0 HH22 ARG A 2 7.940 -2.675 2.179 1.00 24.12 H new ATOM 41 N ASP A 3 5.349 3.310 -4.724 1.00 4.23 N ATOM 42 CA ASP A 3 5.831 3.523 -6.084 1.00 34.12 C ATOM 43 C ASP A 3 7.346 3.699 -6.103 1.00 13.12 C ATOM 44 O ASP A 3 7.907 4.420 -5.278 1.00 61.51 O ATOM 45 CB ASP A 3 5.154 4.748 -6.701 1.00 4.10 C ATOM 46 CG ASP A 3 3.860 5.110 -6.000 1.00 32.42 C ATOM 47 OD1 ASP A 3 3.006 4.214 -5.832 1.00 35.04 O ATOM 48 OD2 ASP A 3 3.701 6.288 -5.618 1.00 61.13 O ATOM 0 H ASP A 3 5.076 4.163 -4.235 1.00 4.23 H new ATOM 0 HA ASP A 3 5.579 2.642 -6.675 1.00 34.12 H new ATOM 0 HB2 ASP A 3 5.837 5.597 -6.658 1.00 4.10 H new ATOM 0 HB3 ASP A 3 4.951 4.555 -7.754 1.00 4.10 H new ATOM 53 N ALA A 4 8.002 3.035 -7.049 1.00 13.10 N ATOM 54 CA ALA A 4 9.451 3.119 -7.176 1.00 3.11 C ATOM 55 C ALA A 4 9.943 2.333 -8.387 1.00 12.32 C ATOM 56 O ALA A 4 9.147 1.888 -9.215 1.00 25.15 O ATOM 57 CB ALA A 4 10.122 2.613 -5.908 1.00 24.42 C ATOM 0 H ALA A 4 7.552 2.433 -7.739 1.00 13.10 H new ATOM 0 HA ALA A 4 9.718 4.166 -7.322 1.00 3.11 H new ATOM 0 HB1 ALA A 4 11.204 2.681 -6.017 1.00 24.42 H new ATOM 0 HB2 ALA A 4 9.803 3.220 -5.061 1.00 24.42 H new ATOM 0 HB3 ALA A 4 9.840 1.574 -5.737 1.00 24.42 H new ATOM 63 N TYR A 5 11.257 2.167 -8.485 1.00 0.33 N ATOM 64 CA TYR A 5 11.855 1.438 -9.597 1.00 34.23 C ATOM 65 C TYR A 5 11.891 -0.060 -9.309 1.00 75.10 C ATOM 66 O TYR A 5 12.876 -0.579 -8.783 1.00 15.34 O ATOM 67 CB TYR A 5 13.270 1.950 -9.869 1.00 11.35 C ATOM 68 CG TYR A 5 13.307 3.217 -10.693 1.00 2.44 C ATOM 69 CD1 TYR A 5 13.129 3.179 -12.070 1.00 63.22 C ATOM 70 CD2 TYR A 5 13.521 4.453 -10.094 1.00 62.12 C ATOM 71 CE1 TYR A 5 13.163 4.334 -12.827 1.00 62.24 C ATOM 72 CE2 TYR A 5 13.555 5.613 -10.843 1.00 42.13 C ATOM 73 CZ TYR A 5 13.376 5.548 -12.209 1.00 51.44 C ATOM 74 OH TYR A 5 13.411 6.702 -12.959 1.00 75.33 O ATOM 0 H TYR A 5 11.929 2.528 -7.807 1.00 0.33 H new ATOM 0 HA TYR A 5 11.239 1.606 -10.481 1.00 34.23 H new ATOM 0 HB2 TYR A 5 13.771 2.130 -8.918 1.00 11.35 H new ATOM 0 HB3 TYR A 5 13.835 1.174 -10.385 1.00 11.35 H new ATOM 0 HD1 TYR A 5 12.961 2.230 -12.557 1.00 63.22 H new ATOM 0 HD2 TYR A 5 13.663 4.507 -9.025 1.00 62.12 H new ATOM 0 HE1 TYR A 5 13.024 4.286 -13.897 1.00 62.24 H new ATOM 0 HE2 TYR A 5 13.721 6.566 -10.362 1.00 42.13 H new ATOM 0 HH TYR A 5 13.569 7.470 -12.371 1.00 75.33 H new ATOM 84 N ILE A 6 10.810 -0.749 -9.659 1.00 73.10 N ATOM 85 CA ILE A 6 10.717 -2.187 -9.441 1.00 23.34 C ATOM 86 C ILE A 6 11.915 -2.913 -10.044 1.00 2.03 C ATOM 87 O ILE A 6 12.388 -2.561 -11.124 1.00 54.11 O ATOM 88 CB ILE A 6 9.424 -2.766 -10.044 1.00 32.35 C ATOM 89 CG1 ILE A 6 9.398 -4.288 -9.886 1.00 3.03 C ATOM 90 CG2 ILE A 6 9.303 -2.378 -11.510 1.00 32.24 C ATOM 91 CD1 ILE A 6 8.134 -4.929 -10.413 1.00 34.04 C ATOM 0 H ILE A 6 9.986 -0.334 -10.095 1.00 73.10 H new ATOM 0 HA ILE A 6 10.706 -2.342 -8.362 1.00 23.34 H new ATOM 0 HB ILE A 6 8.572 -2.349 -9.507 1.00 32.35 H new ATOM 0 HG12 ILE A 6 10.256 -4.714 -10.407 1.00 3.03 H new ATOM 0 HG13 ILE A 6 9.509 -4.537 -8.831 1.00 3.03 H new ATOM 0 HG21 ILE A 6 8.384 -2.795 -11.922 1.00 32.24 H new ATOM 0 HG22 ILE A 6 9.280 -1.292 -11.598 1.00 32.24 H new ATOM 0 HG23 ILE A 6 10.158 -2.769 -12.062 1.00 32.24 H new ATOM 0 HD11 ILE A 6 8.185 -6.008 -10.268 1.00 34.04 H new ATOM 0 HD12 ILE A 6 7.273 -4.531 -9.876 1.00 34.04 H new ATOM 0 HD13 ILE A 6 8.031 -4.710 -11.476 1.00 34.04 H new ATOM 103 N ALA A 7 12.401 -3.929 -9.338 1.00 71.34 N ATOM 104 CA ALA A 7 13.541 -4.708 -9.806 1.00 2.43 C ATOM 105 C ALA A 7 13.521 -6.116 -9.222 1.00 75.43 C ATOM 106 O ALA A 7 12.740 -6.414 -8.317 1.00 43.44 O ATOM 107 CB ALA A 7 14.842 -4.005 -9.447 1.00 43.14 C ATOM 0 H ALA A 7 12.023 -4.232 -8.440 1.00 71.34 H new ATOM 0 HA ALA A 7 13.472 -4.792 -10.891 1.00 2.43 H new ATOM 0 HB1 ALA A 7 15.685 -4.597 -9.802 1.00 43.14 H new ATOM 0 HB2 ALA A 7 14.866 -3.022 -9.917 1.00 43.14 H new ATOM 0 HB3 ALA A 7 14.908 -3.892 -8.365 1.00 43.14 H new ATOM 113 N LYS A 8 14.382 -6.981 -9.746 1.00 63.42 N ATOM 114 CA LYS A 8 14.464 -8.360 -9.278 1.00 2.35 C ATOM 115 C LYS A 8 15.871 -8.684 -8.784 1.00 54.11 C ATOM 116 O LYS A 8 16.869 -8.211 -9.327 1.00 63.33 O ATOM 117 CB LYS A 8 14.070 -9.325 -10.398 1.00 31.15 C ATOM 118 CG LYS A 8 15.131 -9.474 -11.474 1.00 22.23 C ATOM 119 CD LYS A 8 15.934 -10.752 -11.292 1.00 52.42 C ATOM 120 CE LYS A 8 15.836 -11.650 -12.516 1.00 1.13 C ATOM 121 NZ LYS A 8 16.983 -12.596 -12.602 1.00 40.24 N ATOM 0 H LYS A 8 15.034 -6.751 -10.496 1.00 63.42 H new ATOM 0 HA LYS A 8 13.770 -8.477 -8.446 1.00 2.35 H new ATOM 0 HB2 LYS A 8 13.862 -10.304 -9.966 1.00 31.15 H new ATOM 0 HB3 LYS A 8 13.145 -8.977 -10.858 1.00 31.15 H new ATOM 0 HG2 LYS A 8 14.657 -9.478 -12.456 1.00 22.23 H new ATOM 0 HG3 LYS A 8 15.801 -8.615 -11.447 1.00 22.23 H new ATOM 0 HD2 LYS A 8 16.979 -10.503 -11.104 1.00 52.42 H new ATOM 0 HD3 LYS A 8 15.572 -11.289 -10.415 1.00 52.42 H new ATOM 0 HE2 LYS A 8 14.903 -12.212 -12.480 1.00 1.13 H new ATOM 0 HE3 LYS A 8 15.803 -11.036 -13.416 1.00 1.13 H new ATOM 0 HZ1 LYS A 8 16.880 -13.190 -13.449 1.00 40.24 H new ATOM 0 HZ2 LYS A 8 17.872 -12.059 -12.662 1.00 40.24 H new ATOM 0 HZ3 LYS A 8 16.999 -13.200 -11.755 1.00 40.24 H new ATOM 135 N PRO A 9 15.953 -9.510 -7.731 1.00 64.50 N ATOM 136 CA PRO A 9 17.233 -9.918 -7.143 1.00 51.11 C ATOM 137 C PRO A 9 18.022 -10.847 -8.059 1.00 31.31 C ATOM 138 O PRO A 9 17.454 -11.496 -8.937 1.00 24.32 O ATOM 139 CB PRO A 9 16.819 -10.652 -5.865 1.00 55.52 C ATOM 140 CG PRO A 9 15.439 -11.141 -6.140 1.00 34.20 C ATOM 141 CD PRO A 9 14.804 -10.111 -7.034 1.00 22.55 C ATOM 0 HA PRO A 9 17.890 -9.066 -6.968 1.00 51.11 H new ATOM 0 HB2 PRO A 9 17.496 -11.478 -5.646 1.00 55.52 H new ATOM 0 HB3 PRO A 9 16.839 -9.986 -5.002 1.00 55.52 H new ATOM 0 HG2 PRO A 9 15.460 -12.118 -6.624 1.00 34.20 H new ATOM 0 HG3 PRO A 9 14.874 -11.256 -5.215 1.00 34.20 H new ATOM 0 HD2 PRO A 9 14.102 -10.564 -7.734 1.00 22.55 H new ATOM 0 HD3 PRO A 9 14.249 -9.369 -6.461 1.00 22.55 H new ATOM 149 N GLU A 10 19.333 -10.906 -7.847 1.00 61.24 N ATOM 150 CA GLU A 10 19.973 -10.123 -6.797 1.00 34.24 C ATOM 151 C GLU A 10 20.307 -8.719 -7.292 1.00 21.05 C ATOM 152 O GLU A 10 21.162 -8.543 -8.159 1.00 14.52 O ATOM 153 CB GLU A 10 21.245 -10.822 -6.312 1.00 12.31 C ATOM 154 CG GLU A 10 21.118 -12.334 -6.237 1.00 43.05 C ATOM 155 CD GLU A 10 22.327 -12.990 -5.599 1.00 43.12 C ATOM 156 OE1 GLU A 10 22.838 -12.447 -4.598 1.00 2.52 O ATOM 157 OE2 GLU A 10 22.762 -14.047 -6.102 1.00 22.32 O ATOM 0 H GLU A 10 19.972 -11.488 -8.388 1.00 61.24 H new ATOM 0 HA GLU A 10 19.274 -10.039 -5.965 1.00 34.24 H new ATOM 0 HB2 GLU A 10 22.067 -10.568 -6.981 1.00 12.31 H new ATOM 0 HB3 GLU A 10 21.507 -10.438 -5.326 1.00 12.31 H new ATOM 0 HG2 GLU A 10 20.226 -12.592 -5.666 1.00 43.05 H new ATOM 0 HG3 GLU A 10 20.980 -12.734 -7.242 1.00 43.05 H new ATOM 164 N ASN A 11 19.626 -7.723 -6.733 1.00 62.44 N ATOM 165 CA ASN A 11 19.850 -6.335 -7.118 1.00 53.53 C ATOM 166 C ASN A 11 20.015 -6.209 -8.630 1.00 3.23 C ATOM 167 O ASN A 11 21.114 -5.957 -9.126 1.00 73.22 O ATOM 168 CB ASN A 11 21.088 -5.780 -6.410 1.00 73.34 C ATOM 169 CG ASN A 11 20.989 -4.289 -6.155 1.00 55.32 C ATOM 170 OD1 ASN A 11 19.893 -3.733 -6.075 1.00 50.23 O ATOM 171 ND2 ASN A 11 22.136 -3.633 -6.026 1.00 61.13 N ATOM 0 H ASN A 11 18.915 -7.852 -6.013 1.00 62.44 H new ATOM 0 HA ASN A 11 18.977 -5.756 -6.816 1.00 53.53 H new ATOM 0 HB2 ASN A 11 21.224 -6.300 -5.462 1.00 73.34 H new ATOM 0 HB3 ASN A 11 21.971 -5.984 -7.015 1.00 73.34 H new ATOM 0 HD21 ASN A 11 22.132 -2.628 -5.853 1.00 61.13 H new ATOM 0 HD22 ASN A 11 23.021 -4.134 -6.100 1.00 61.13 H new ATOM 178 N CYS A 12 18.917 -6.385 -9.356 1.00 52.04 N ATOM 179 CA CYS A 12 18.939 -6.291 -10.811 1.00 75.41 C ATOM 180 C CYS A 12 17.746 -5.488 -11.322 1.00 61.03 C ATOM 181 O CYS A 12 16.612 -5.697 -10.892 1.00 30.34 O ATOM 182 CB CYS A 12 18.930 -7.689 -11.433 1.00 61.21 C ATOM 183 SG CYS A 12 20.530 -8.199 -12.139 1.00 4.33 S ATOM 0 H CYS A 12 18.000 -6.594 -8.961 1.00 52.04 H new ATOM 0 HA CYS A 12 19.854 -5.776 -11.103 1.00 75.41 H new ATOM 0 HB2 CYS A 12 18.634 -8.411 -10.672 1.00 61.21 H new ATOM 0 HB3 CYS A 12 18.172 -7.722 -12.216 1.00 61.21 H new ATOM 188 N VAL A 13 18.011 -4.568 -12.244 1.00 41.32 N ATOM 189 CA VAL A 13 16.961 -3.734 -12.816 1.00 12.52 C ATOM 190 C VAL A 13 16.300 -4.420 -14.006 1.00 23.20 C ATOM 191 O VAL A 13 16.660 -5.541 -14.368 1.00 11.24 O ATOM 192 CB VAL A 13 17.512 -2.367 -13.266 1.00 73.50 C ATOM 193 CG1 VAL A 13 18.221 -1.672 -12.114 1.00 40.33 C ATOM 194 CG2 VAL A 13 18.446 -2.536 -14.455 1.00 12.32 C ATOM 0 H VAL A 13 18.944 -4.381 -12.611 1.00 41.32 H new ATOM 0 HA VAL A 13 16.219 -3.578 -12.033 1.00 12.52 H new ATOM 0 HB VAL A 13 16.676 -1.741 -13.576 1.00 73.50 H new ATOM 0 HG11 VAL A 13 18.603 -0.708 -12.450 1.00 40.33 H new ATOM 0 HG12 VAL A 13 17.519 -1.518 -11.295 1.00 40.33 H new ATOM 0 HG13 VAL A 13 19.050 -2.291 -11.770 1.00 40.33 H new ATOM 0 HG21 VAL A 13 18.826 -1.561 -14.760 1.00 12.32 H new ATOM 0 HG22 VAL A 13 19.280 -3.179 -14.174 1.00 12.32 H new ATOM 0 HG23 VAL A 13 17.902 -2.989 -15.284 1.00 12.32 H new ATOM 204 N TYR A 14 15.333 -3.741 -14.612 1.00 12.35 N ATOM 205 CA TYR A 14 14.620 -4.286 -15.761 1.00 11.13 C ATOM 206 C TYR A 14 14.456 -3.231 -16.851 1.00 21.03 C ATOM 207 O TYR A 14 13.593 -2.358 -16.760 1.00 24.33 O ATOM 208 CB TYR A 14 13.248 -4.812 -15.334 1.00 3.40 C ATOM 209 CG TYR A 14 13.230 -6.297 -15.054 1.00 74.44 C ATOM 210 CD1 TYR A 14 13.686 -7.208 -16.000 1.00 14.20 C ATOM 211 CD2 TYR A 14 12.755 -6.791 -13.845 1.00 61.15 C ATOM 212 CE1 TYR A 14 13.670 -8.566 -15.749 1.00 72.34 C ATOM 213 CE2 TYR A 14 12.737 -8.148 -13.586 1.00 0.33 C ATOM 214 CZ TYR A 14 13.195 -9.031 -14.541 1.00 21.23 C ATOM 215 OH TYR A 14 13.177 -10.383 -14.286 1.00 63.52 O ATOM 0 H TYR A 14 15.025 -2.812 -14.327 1.00 12.35 H new ATOM 0 HA TYR A 14 15.208 -5.110 -16.164 1.00 11.13 H new ATOM 0 HB2 TYR A 14 12.926 -4.278 -14.440 1.00 3.40 H new ATOM 0 HB3 TYR A 14 12.523 -4.589 -16.117 1.00 3.40 H new ATOM 0 HD1 TYR A 14 14.059 -6.848 -16.947 1.00 14.20 H new ATOM 0 HD2 TYR A 14 12.394 -6.103 -13.095 1.00 61.15 H new ATOM 0 HE1 TYR A 14 14.028 -9.260 -16.495 1.00 72.34 H new ATOM 0 HE2 TYR A 14 12.366 -8.515 -12.640 1.00 0.33 H new ATOM 0 HH TYR A 14 12.814 -10.542 -13.390 1.00 63.52 H new ATOM 225 N GLU A 15 15.291 -3.320 -17.881 1.00 40.14 N ATOM 226 CA GLU A 15 15.239 -2.373 -18.989 1.00 62.33 C ATOM 227 C GLU A 15 14.011 -2.621 -19.860 1.00 33.41 C ATOM 228 O GLU A 15 13.639 -3.767 -20.117 1.00 51.20 O ATOM 229 CB GLU A 15 16.508 -2.477 -19.838 1.00 24.13 C ATOM 230 CG GLU A 15 16.664 -3.816 -20.538 1.00 65.41 C ATOM 231 CD GLU A 15 17.986 -3.941 -21.271 1.00 2.01 C ATOM 232 OE1 GLU A 15 19.019 -4.146 -20.599 1.00 41.03 O ATOM 233 OE2 GLU A 15 17.988 -3.833 -22.515 1.00 20.31 O ATOM 0 H GLU A 15 16.011 -4.037 -17.972 1.00 40.14 H new ATOM 0 HA GLU A 15 15.170 -1.369 -18.571 1.00 62.33 H new ATOM 0 HB2 GLU A 15 16.500 -1.684 -20.586 1.00 24.13 H new ATOM 0 HB3 GLU A 15 17.376 -2.306 -19.201 1.00 24.13 H new ATOM 0 HG2 GLU A 15 16.583 -4.617 -19.804 1.00 65.41 H new ATOM 0 HG3 GLU A 15 15.846 -3.949 -21.246 1.00 65.41 H new ATOM 240 N CYS A 16 13.384 -1.540 -20.310 1.00 40.25 N ATOM 241 CA CYS A 16 12.197 -1.638 -21.151 1.00 50.31 C ATOM 242 C CYS A 16 12.537 -1.342 -22.609 1.00 51.30 C ATOM 243 O CYS A 16 13.707 -1.256 -22.980 1.00 31.23 O ATOM 244 CB CYS A 16 11.118 -0.670 -20.661 1.00 1.01 C ATOM 245 SG CYS A 16 9.480 -1.434 -20.437 1.00 32.41 S ATOM 0 H CYS A 16 13.678 -0.585 -20.106 1.00 40.25 H new ATOM 0 HA CYS A 16 11.818 -2.658 -21.084 1.00 50.31 H new ATOM 0 HB2 CYS A 16 11.437 -0.236 -19.713 1.00 1.01 H new ATOM 0 HB3 CYS A 16 11.030 0.150 -21.373 1.00 1.01 H new ATOM 250 N GLY A 17 11.504 -1.186 -23.432 1.00 42.30 N ATOM 251 CA GLY A 17 11.714 -0.901 -24.839 1.00 52.15 C ATOM 252 C GLY A 17 11.645 -2.147 -25.700 1.00 23.03 C ATOM 253 O GLY A 17 12.094 -2.143 -26.846 1.00 61.04 O ATOM 0 H GLY A 17 10.526 -1.252 -23.149 1.00 42.30 H new ATOM 0 HA2 GLY A 17 10.963 -0.187 -25.178 1.00 52.15 H new ATOM 0 HA3 GLY A 17 12.687 -0.427 -24.969 1.00 52.15 H new ATOM 257 N ILE A 18 11.084 -3.216 -25.146 1.00 21.44 N ATOM 258 CA ILE A 18 10.959 -4.475 -25.870 1.00 45.02 C ATOM 259 C ILE A 18 9.514 -4.730 -26.285 1.00 3.03 C ATOM 260 O ILE A 18 9.217 -4.905 -27.467 1.00 12.21 O ATOM 261 CB ILE A 18 11.456 -5.663 -25.025 1.00 5.30 C ATOM 262 CG1 ILE A 18 12.849 -5.369 -24.462 1.00 74.11 C ATOM 263 CG2 ILE A 18 11.474 -6.935 -25.858 1.00 72.35 C ATOM 264 CD1 ILE A 18 12.868 -5.194 -22.960 1.00 23.03 C ATOM 0 H ILE A 18 10.709 -3.236 -24.198 1.00 21.44 H new ATOM 0 HA ILE A 18 11.581 -4.389 -26.761 1.00 45.02 H new ATOM 0 HB ILE A 18 10.770 -5.808 -24.191 1.00 5.30 H new ATOM 0 HG12 ILE A 18 13.521 -6.183 -24.734 1.00 74.11 H new ATOM 0 HG13 ILE A 18 13.238 -4.465 -24.930 1.00 74.11 H new ATOM 0 HG21 ILE A 18 11.828 -7.765 -25.247 1.00 72.35 H new ATOM 0 HG22 ILE A 18 10.467 -7.150 -26.215 1.00 72.35 H new ATOM 0 HG23 ILE A 18 12.141 -6.802 -26.710 1.00 72.35 H new ATOM 0 HD11 ILE A 18 13.886 -4.988 -22.630 1.00 23.03 H new ATOM 0 HD12 ILE A 18 12.222 -4.361 -22.683 1.00 23.03 H new ATOM 0 HD13 ILE A 18 12.509 -6.106 -22.483 1.00 23.03 H new ATOM 276 N THR A 19 8.617 -4.748 -25.304 1.00 23.34 N ATOM 277 CA THR A 19 7.203 -4.981 -25.566 1.00 13.04 C ATOM 278 C THR A 19 6.365 -3.767 -25.180 1.00 22.12 C ATOM 279 O THR A 19 5.230 -3.617 -25.631 1.00 43.32 O ATOM 280 CB THR A 19 6.684 -6.213 -24.799 1.00 45.51 C ATOM 281 OG1 THR A 19 7.301 -6.281 -23.508 1.00 74.23 O ATOM 282 CG2 THR A 19 6.971 -7.491 -25.572 1.00 41.01 C ATOM 0 H THR A 19 8.845 -4.604 -24.320 1.00 23.34 H new ATOM 0 HA THR A 19 7.106 -5.161 -26.637 1.00 13.04 H new ATOM 0 HB THR A 19 5.605 -6.113 -24.681 1.00 45.51 H new ATOM 0 HG1 THR A 19 7.002 -7.091 -23.045 1.00 74.23 H new ATOM 0 HG21 THR A 19 6.596 -8.347 -25.011 1.00 41.01 H new ATOM 0 HG22 THR A 19 6.477 -7.448 -26.543 1.00 41.01 H new ATOM 0 HG23 THR A 19 8.046 -7.595 -25.717 1.00 41.01 H new ATOM 290 N GLN A 20 6.933 -2.904 -24.343 1.00 73.04 N ATOM 291 CA GLN A 20 6.237 -1.703 -23.898 1.00 13.24 C ATOM 292 C GLN A 20 4.993 -2.062 -23.092 1.00 13.04 C ATOM 293 O GLN A 20 4.015 -1.314 -23.073 1.00 44.55 O ATOM 294 CB GLN A 20 5.849 -0.837 -25.098 1.00 31.42 C ATOM 295 CG GLN A 20 5.459 0.583 -24.723 1.00 5.40 C ATOM 296 CD GLN A 20 6.363 1.623 -25.357 1.00 21.33 C ATOM 297 OE1 GLN A 20 7.584 1.573 -25.208 1.00 45.53 O ATOM 298 NE2 GLN A 20 5.766 2.571 -26.069 1.00 2.54 N ATOM 0 H GLN A 20 7.872 -3.014 -23.960 1.00 73.04 H new ATOM 0 HA GLN A 20 6.914 -1.139 -23.256 1.00 13.24 H new ATOM 0 HB2 GLN A 20 6.685 -0.803 -25.796 1.00 31.42 H new ATOM 0 HB3 GLN A 20 5.016 -1.307 -25.621 1.00 31.42 H new ATOM 0 HG2 GLN A 20 4.429 0.766 -25.030 1.00 5.40 H new ATOM 0 HG3 GLN A 20 5.492 0.691 -23.639 1.00 5.40 H new ATOM 0 HE21 GLN A 20 4.751 2.573 -26.166 1.00 2.54 H new ATOM 0 HE22 GLN A 20 6.323 3.297 -26.520 1.00 2.54 H new ATOM 307 N ASP A 21 5.036 -3.211 -22.427 1.00 22.22 N ATOM 308 CA ASP A 21 3.913 -3.670 -21.618 1.00 13.41 C ATOM 309 C ASP A 21 4.230 -3.551 -20.130 1.00 71.35 C ATOM 310 O ASP A 21 3.775 -4.361 -19.321 1.00 42.35 O ATOM 311 CB ASP A 21 3.565 -5.118 -21.964 1.00 72.23 C ATOM 312 CG ASP A 21 4.794 -6.000 -22.068 1.00 52.35 C ATOM 313 OD1 ASP A 21 5.825 -5.656 -21.453 1.00 33.24 O ATOM 314 OD2 ASP A 21 4.724 -7.034 -22.765 1.00 45.41 O ATOM 0 H ASP A 21 5.837 -3.842 -22.432 1.00 22.22 H new ATOM 0 HA ASP A 21 3.055 -3.036 -21.840 1.00 13.41 H new ATOM 0 HB2 ASP A 21 2.896 -5.520 -21.203 1.00 72.23 H new ATOM 0 HB3 ASP A 21 3.023 -5.142 -22.909 1.00 72.23 H new ATOM 319 N CYS A 22 5.014 -2.538 -19.777 1.00 33.34 N ATOM 320 CA CYS A 22 5.394 -2.314 -18.387 1.00 72.02 C ATOM 321 C CYS A 22 4.164 -2.290 -17.484 1.00 22.41 C ATOM 322 O CYS A 22 4.098 -3.012 -16.490 1.00 31.02 O ATOM 323 CB CYS A 22 6.164 -0.999 -18.253 1.00 50.22 C ATOM 324 SG CYS A 22 7.975 -1.191 -18.286 1.00 62.13 S ATOM 0 H CYS A 22 5.399 -1.859 -20.434 1.00 33.34 H new ATOM 0 HA CYS A 22 6.036 -3.137 -18.075 1.00 72.02 H new ATOM 0 HB2 CYS A 22 5.865 -0.332 -19.061 1.00 50.22 H new ATOM 0 HB3 CYS A 22 5.878 -0.516 -17.319 1.00 50.22 H new ATOM 329 N ASN A 23 3.193 -1.456 -17.838 1.00 54.50 N ATOM 330 CA ASN A 23 1.965 -1.337 -17.060 1.00 31.34 C ATOM 331 C ASN A 23 1.337 -2.707 -16.823 1.00 75.33 C ATOM 332 O ASN A 23 0.800 -2.980 -15.749 1.00 51.13 O ATOM 333 CB ASN A 23 0.968 -0.423 -17.776 1.00 25.34 C ATOM 334 CG ASN A 23 0.148 0.408 -16.808 1.00 45.43 C ATOM 335 OD1 ASN A 23 -0.036 1.609 -17.007 1.00 12.32 O ATOM 336 ND2 ASN A 23 -0.348 -0.229 -15.754 1.00 43.40 N ATOM 0 H ASN A 23 3.232 -0.852 -18.659 1.00 54.50 H new ATOM 0 HA ASN A 23 2.218 -0.900 -16.094 1.00 31.34 H new ATOM 0 HB2 ASN A 23 1.508 0.240 -18.453 1.00 25.34 H new ATOM 0 HB3 ASN A 23 0.299 -1.028 -18.388 1.00 25.34 H new ATOM 0 HD21 ASN A 23 -0.907 0.278 -15.068 1.00 43.40 H new ATOM 0 HD22 ASN A 23 -0.170 -1.226 -15.630 1.00 43.40 H new ATOM 343 N LYS A 24 1.407 -3.567 -17.834 1.00 44.21 N ATOM 344 CA LYS A 24 0.848 -4.910 -17.738 1.00 11.23 C ATOM 345 C LYS A 24 1.634 -5.756 -16.741 1.00 75.33 C ATOM 346 O LYS A 24 1.057 -6.367 -15.840 1.00 64.21 O ATOM 347 CB LYS A 24 0.851 -5.585 -19.111 1.00 34.52 C ATOM 348 CG LYS A 24 -0.293 -6.565 -19.309 1.00 22.52 C ATOM 349 CD LYS A 24 0.214 -7.941 -19.709 1.00 45.44 C ATOM 350 CE LYS A 24 -0.726 -9.040 -19.240 1.00 71.13 C ATOM 351 NZ LYS A 24 -0.279 -10.385 -19.697 1.00 63.02 N ATOM 0 H LYS A 24 1.846 -3.357 -18.730 1.00 44.21 H new ATOM 0 HA LYS A 24 -0.180 -4.825 -17.385 1.00 11.23 H new ATOM 0 HB2 LYS A 24 0.799 -4.818 -19.884 1.00 34.52 H new ATOM 0 HB3 LYS A 24 1.796 -6.111 -19.246 1.00 34.52 H new ATOM 0 HG2 LYS A 24 -0.870 -6.643 -18.388 1.00 22.52 H new ATOM 0 HG3 LYS A 24 -0.968 -6.187 -20.077 1.00 22.52 H new ATOM 0 HD2 LYS A 24 0.320 -7.990 -20.793 1.00 45.44 H new ATOM 0 HD3 LYS A 24 1.205 -8.102 -19.284 1.00 45.44 H new ATOM 0 HE2 LYS A 24 -0.785 -9.027 -18.152 1.00 71.13 H new ATOM 0 HE3 LYS A 24 -1.730 -8.844 -19.616 1.00 71.13 H new ATOM 0 HZ1 LYS A 24 -0.946 -11.107 -19.357 1.00 63.02 H new ATOM 0 HZ2 LYS A 24 -0.247 -10.406 -20.736 1.00 63.02 H new ATOM 0 HZ3 LYS A 24 0.669 -10.583 -19.317 1.00 63.02 H new ATOM 365 N LEU A 25 2.951 -5.787 -16.908 1.00 21.22 N ATOM 366 CA LEU A 25 3.816 -6.558 -16.022 1.00 5.24 C ATOM 367 C LEU A 25 3.678 -6.085 -14.578 1.00 54.42 C ATOM 368 O LEU A 25 3.570 -6.893 -13.656 1.00 22.41 O ATOM 369 CB LEU A 25 5.274 -6.440 -16.471 1.00 31.31 C ATOM 370 CG LEU A 25 6.249 -7.444 -15.855 1.00 22.03 C ATOM 371 CD1 LEU A 25 6.415 -8.653 -16.762 1.00 60.11 C ATOM 372 CD2 LEU A 25 7.595 -6.786 -15.589 1.00 42.41 C ATOM 0 H LEU A 25 3.443 -5.287 -17.648 1.00 21.22 H new ATOM 0 HA LEU A 25 3.509 -7.602 -16.074 1.00 5.24 H new ATOM 0 HB2 LEU A 25 5.309 -6.548 -17.555 1.00 31.31 H new ATOM 0 HB3 LEU A 25 5.624 -5.434 -16.239 1.00 31.31 H new ATOM 0 HG LEU A 25 5.838 -7.783 -14.904 1.00 22.03 H new ATOM 0 HD11 LEU A 25 7.112 -9.356 -16.307 1.00 60.11 H new ATOM 0 HD12 LEU A 25 5.449 -9.139 -16.901 1.00 60.11 H new ATOM 0 HD13 LEU A 25 6.803 -8.332 -17.729 1.00 60.11 H new ATOM 0 HD21 LEU A 25 8.276 -7.515 -15.151 1.00 42.41 H new ATOM 0 HD22 LEU A 25 8.012 -6.418 -16.527 1.00 42.41 H new ATOM 0 HD23 LEU A 25 7.463 -5.953 -14.899 1.00 42.41 H new ATOM 384 N CYS A 26 3.678 -4.769 -14.390 1.00 24.24 N ATOM 385 CA CYS A 26 3.551 -4.187 -13.059 1.00 51.12 C ATOM 386 C CYS A 26 2.215 -4.564 -12.426 1.00 74.11 C ATOM 387 O CYS A 26 2.159 -4.984 -11.270 1.00 35.22 O ATOM 388 CB CYS A 26 3.682 -2.664 -13.131 1.00 73.34 C ATOM 389 SG CYS A 26 5.397 -2.060 -13.030 1.00 42.23 S ATOM 0 H CYS A 26 3.765 -4.086 -15.143 1.00 24.24 H new ATOM 0 HA CYS A 26 4.353 -4.585 -12.437 1.00 51.12 H new ATOM 0 HB2 CYS A 26 3.240 -2.316 -14.064 1.00 73.34 H new ATOM 0 HB3 CYS A 26 3.104 -2.222 -12.320 1.00 73.34 H new ATOM 394 N THR A 27 1.139 -4.412 -13.192 1.00 51.44 N ATOM 395 CA THR A 27 -0.197 -4.735 -12.708 1.00 1.24 C ATOM 396 C THR A 27 -0.316 -6.217 -12.370 1.00 42.44 C ATOM 397 O THR A 27 -0.754 -6.581 -11.280 1.00 12.52 O ATOM 398 CB THR A 27 -1.275 -4.368 -13.745 1.00 10.22 C ATOM 399 OG1 THR A 27 -0.903 -4.865 -15.035 1.00 70.20 O ATOM 400 CG2 THR A 27 -1.469 -2.861 -13.813 1.00 52.43 C ATOM 0 H THR A 27 1.167 -4.067 -14.151 1.00 51.44 H new ATOM 0 HA THR A 27 -0.357 -4.145 -11.805 1.00 1.24 H new ATOM 0 HB THR A 27 -2.215 -4.826 -13.437 1.00 10.22 H new ATOM 0 HG1 THR A 27 -0.452 -4.157 -15.541 1.00 70.20 H new ATOM 0 HG21 THR A 27 -2.235 -2.626 -14.552 1.00 52.43 H new ATOM 0 HG22 THR A 27 -1.781 -2.490 -12.837 1.00 52.43 H new ATOM 0 HG23 THR A 27 -0.531 -2.386 -14.099 1.00 52.43 H new ATOM 408 N GLU A 28 0.078 -7.067 -13.313 1.00 40.03 N ATOM 409 CA GLU A 28 0.015 -8.510 -13.114 1.00 73.14 C ATOM 410 C GLU A 28 0.783 -8.921 -11.862 1.00 0.25 C ATOM 411 O GLU A 28 0.320 -9.752 -11.081 1.00 41.25 O ATOM 412 CB GLU A 28 0.579 -9.241 -14.335 1.00 3.35 C ATOM 413 CG GLU A 28 -0.451 -10.078 -15.073 1.00 31.40 C ATOM 414 CD GLU A 28 -0.769 -11.376 -14.357 1.00 34.53 C ATOM 415 OE1 GLU A 28 -1.379 -11.319 -13.268 1.00 54.43 O ATOM 416 OE2 GLU A 28 -0.409 -12.449 -14.884 1.00 22.54 O ATOM 0 H GLU A 28 0.444 -6.782 -14.221 1.00 40.03 H new ATOM 0 HA GLU A 28 -1.031 -8.787 -12.985 1.00 73.14 H new ATOM 0 HB2 GLU A 28 1.000 -8.509 -15.024 1.00 3.35 H new ATOM 0 HB3 GLU A 28 1.398 -9.886 -14.016 1.00 3.35 H new ATOM 0 HG2 GLU A 28 -1.367 -9.499 -15.191 1.00 31.40 H new ATOM 0 HG3 GLU A 28 -0.083 -10.301 -16.074 1.00 31.40 H new ATOM 423 N ASN A 29 1.960 -8.332 -11.677 1.00 2.03 N ATOM 424 CA ASN A 29 2.794 -8.637 -10.520 1.00 1.12 C ATOM 425 C ASN A 29 2.042 -8.366 -9.220 1.00 73.34 C ATOM 426 O ASN A 29 2.360 -8.934 -8.177 1.00 21.14 O ATOM 427 CB ASN A 29 4.080 -7.809 -10.559 1.00 41.05 C ATOM 428 CG ASN A 29 5.277 -8.622 -11.013 1.00 3.11 C ATOM 429 OD1 ASN A 29 6.020 -9.163 -10.194 1.00 23.00 O ATOM 430 ND2 ASN A 29 5.470 -8.711 -12.324 1.00 14.21 N ATOM 0 H ASN A 29 2.358 -7.641 -12.313 1.00 2.03 H new ATOM 0 HA ASN A 29 3.050 -9.696 -10.558 1.00 1.12 H new ATOM 0 HB2 ASN A 29 3.943 -6.962 -11.231 1.00 41.05 H new ATOM 0 HB3 ASN A 29 4.276 -7.401 -9.568 1.00 41.05 H new ATOM 0 HD21 ASN A 29 6.260 -9.244 -12.688 1.00 14.21 H new ATOM 0 HD22 ASN A 29 4.829 -8.246 -12.967 1.00 14.21 H new ATOM 437 N GLY A 30 1.040 -7.494 -9.293 1.00 63.51 N ATOM 438 CA GLY A 30 0.258 -7.164 -8.117 1.00 14.14 C ATOM 439 C GLY A 30 0.306 -5.686 -7.785 1.00 13.32 C ATOM 440 O GLY A 30 -0.226 -5.255 -6.762 1.00 4.31 O ATOM 0 H GLY A 30 0.757 -7.011 -10.146 1.00 63.51 H new ATOM 0 HA2 GLY A 30 -0.778 -7.464 -8.277 1.00 14.14 H new ATOM 0 HA3 GLY A 30 0.628 -7.737 -7.266 1.00 14.14 H new ATOM 444 N ALA A 31 0.946 -4.907 -8.651 1.00 12.11 N ATOM 445 CA ALA A 31 1.061 -3.469 -8.445 1.00 0.43 C ATOM 446 C ALA A 31 -0.166 -2.737 -8.979 1.00 21.31 C ATOM 447 O ALA A 31 -0.937 -3.291 -9.761 1.00 75.31 O ATOM 448 CB ALA A 31 2.324 -2.940 -9.109 1.00 13.33 C ATOM 0 H ALA A 31 1.393 -5.248 -9.502 1.00 12.11 H new ATOM 0 HA ALA A 31 1.123 -3.285 -7.372 1.00 0.43 H new ATOM 0 HB1 ALA A 31 2.397 -1.865 -8.947 1.00 13.33 H new ATOM 0 HB2 ALA A 31 3.196 -3.432 -8.677 1.00 13.33 H new ATOM 0 HB3 ALA A 31 2.285 -3.144 -10.179 1.00 13.33 H new ATOM 454 N GLU A 32 -0.340 -1.491 -8.550 1.00 45.14 N ATOM 455 CA GLU A 32 -1.474 -0.685 -8.986 1.00 35.45 C ATOM 456 C GLU A 32 -1.314 -0.261 -10.443 1.00 22.34 C ATOM 457 O GLU A 32 -2.239 -0.392 -11.244 1.00 61.50 O ATOM 458 CB GLU A 32 -1.622 0.551 -8.096 1.00 64.02 C ATOM 459 CG GLU A 32 -2.977 1.228 -8.214 1.00 43.05 C ATOM 460 CD GLU A 32 -2.864 2.716 -8.483 1.00 41.14 C ATOM 461 OE1 GLU A 32 -1.979 3.112 -9.271 1.00 33.03 O ATOM 462 OE2 GLU A 32 -3.661 3.485 -7.906 1.00 32.30 O ATOM 0 H GLU A 32 0.289 -1.018 -7.901 1.00 45.14 H new ATOM 0 HA GLU A 32 -2.373 -1.295 -8.901 1.00 35.45 H new ATOM 0 HB2 GLU A 32 -1.459 0.262 -7.058 1.00 64.02 H new ATOM 0 HB3 GLU A 32 -0.843 1.269 -8.353 1.00 64.02 H new ATOM 0 HG2 GLU A 32 -3.544 0.759 -9.018 1.00 43.05 H new ATOM 0 HG3 GLU A 32 -3.539 1.071 -7.293 1.00 43.05 H new ATOM 469 N SER A 33 -0.133 0.248 -10.778 1.00 2.54 N ATOM 470 CA SER A 33 0.149 0.696 -12.136 1.00 53.44 C ATOM 471 C SER A 33 1.643 0.618 -12.436 1.00 13.34 C ATOM 472 O SER A 33 2.424 0.118 -11.628 1.00 33.43 O ATOM 473 CB SER A 33 -0.349 2.129 -12.337 1.00 40.12 C ATOM 474 OG SER A 33 -1.762 2.195 -12.249 1.00 3.31 O ATOM 0 H SER A 33 0.644 0.360 -10.127 1.00 2.54 H new ATOM 0 HA SER A 33 -0.377 0.036 -12.826 1.00 53.44 H new ATOM 0 HB2 SER A 33 0.096 2.781 -11.585 1.00 40.12 H new ATOM 0 HB3 SER A 33 -0.025 2.497 -13.310 1.00 40.12 H new ATOM 0 HG SER A 33 -2.119 1.306 -12.045 1.00 3.31 H new ATOM 480 N GLY A 34 2.033 1.118 -13.605 1.00 32.15 N ATOM 481 CA GLY A 34 3.431 1.095 -13.991 1.00 44.42 C ATOM 482 C GLY A 34 3.638 1.480 -15.443 1.00 11.23 C ATOM 483 O GLY A 34 2.674 1.660 -16.188 1.00 2.44 O ATOM 0 H GLY A 34 1.406 1.538 -14.291 1.00 32.15 H new ATOM 0 HA2 GLY A 34 3.992 1.778 -13.354 1.00 44.42 H new ATOM 0 HA3 GLY A 34 3.835 0.097 -13.822 1.00 44.42 H new ATOM 487 N TYR A 35 4.897 1.608 -15.846 1.00 1.23 N ATOM 488 CA TYR A 35 5.227 1.978 -17.217 1.00 10.42 C ATOM 489 C TYR A 35 6.736 1.954 -17.440 1.00 0.03 C ATOM 490 O TYR A 35 7.513 1.823 -16.494 1.00 5.43 O ATOM 491 CB TYR A 35 4.675 3.368 -17.539 1.00 0.21 C ATOM 492 CG TYR A 35 4.825 4.357 -16.405 1.00 34.23 C ATOM 493 CD1 TYR A 35 6.074 4.647 -15.870 1.00 61.50 C ATOM 494 CD2 TYR A 35 3.717 5.000 -15.867 1.00 50.51 C ATOM 495 CE1 TYR A 35 6.216 5.549 -14.833 1.00 73.43 C ATOM 496 CE2 TYR A 35 3.849 5.905 -14.831 1.00 43.05 C ATOM 497 CZ TYR A 35 5.101 6.176 -14.318 1.00 35.52 C ATOM 498 OH TYR A 35 5.236 7.075 -13.285 1.00 63.12 O ATOM 0 H TYR A 35 5.706 1.461 -15.243 1.00 1.23 H new ATOM 0 HA TYR A 35 4.768 1.248 -17.884 1.00 10.42 H new ATOM 0 HB2 TYR A 35 5.186 3.758 -18.420 1.00 0.21 H new ATOM 0 HB3 TYR A 35 3.619 3.280 -17.796 1.00 0.21 H new ATOM 0 HD1 TYR A 35 6.949 4.159 -16.272 1.00 61.50 H new ATOM 0 HD2 TYR A 35 2.736 4.789 -16.265 1.00 50.51 H new ATOM 0 HE1 TYR A 35 7.194 5.762 -14.428 1.00 73.43 H new ATOM 0 HE2 TYR A 35 2.977 6.397 -14.425 1.00 43.05 H new ATOM 0 HH TYR A 35 5.653 6.631 -12.517 1.00 63.12 H new ATOM 508 N CYS A 36 7.144 2.081 -18.698 1.00 13.40 N ATOM 509 CA CYS A 36 8.559 2.075 -19.048 1.00 72.43 C ATOM 510 C CYS A 36 9.167 3.464 -18.883 1.00 52.53 C ATOM 511 O CYS A 36 8.874 4.376 -19.657 1.00 21.13 O ATOM 512 CB CYS A 36 8.747 1.591 -20.488 1.00 1.24 C ATOM 513 SG CYS A 36 8.073 -0.071 -20.808 1.00 2.30 S ATOM 0 H CYS A 36 6.514 2.189 -19.493 1.00 13.40 H new ATOM 0 HA CYS A 36 9.072 1.391 -18.372 1.00 72.43 H new ATOM 0 HB2 CYS A 36 8.270 2.301 -21.164 1.00 1.24 H new ATOM 0 HB3 CYS A 36 9.811 1.591 -20.724 1.00 1.24 H new ATOM 518 N GLN A 37 10.014 3.617 -17.871 1.00 11.34 N ATOM 519 CA GLN A 37 10.662 4.896 -17.604 1.00 64.21 C ATOM 520 C GLN A 37 11.929 5.048 -18.439 1.00 64.04 C ATOM 521 O GLN A 37 13.035 4.796 -17.959 1.00 74.04 O ATOM 522 CB GLN A 37 11.000 5.021 -16.117 1.00 75.53 C ATOM 523 CG GLN A 37 11.057 6.458 -15.625 1.00 33.41 C ATOM 524 CD GLN A 37 9.688 7.013 -15.284 1.00 72.31 C ATOM 525 OE1 GLN A 37 9.246 6.945 -14.137 1.00 33.32 O ATOM 526 NE2 GLN A 37 9.008 7.567 -16.281 1.00 62.44 N ATOM 0 H GLN A 37 10.268 2.872 -17.222 1.00 11.34 H new ATOM 0 HA GLN A 37 9.968 5.690 -17.880 1.00 64.21 H new ATOM 0 HB2 GLN A 37 10.255 4.476 -15.537 1.00 75.53 H new ATOM 0 HB3 GLN A 37 11.962 4.543 -15.930 1.00 75.53 H new ATOM 0 HG2 GLN A 37 11.696 6.511 -14.744 1.00 33.41 H new ATOM 0 HG3 GLN A 37 11.517 7.082 -16.391 1.00 33.41 H new ATOM 0 HE21 GLN A 37 9.413 7.602 -17.217 1.00 62.44 H new ATOM 0 HE22 GLN A 37 8.081 7.958 -16.111 1.00 62.44 H new ATOM 535 N TRP A 38 11.761 5.461 -19.690 1.00 70.13 N ATOM 536 CA TRP A 38 12.892 5.646 -20.593 1.00 11.14 C ATOM 537 C TRP A 38 13.585 6.979 -20.330 1.00 72.34 C ATOM 538 O TRP A 38 13.299 7.978 -20.989 1.00 33.15 O ATOM 539 CB TRP A 38 12.426 5.577 -22.048 1.00 22.01 C ATOM 540 CG TRP A 38 12.758 4.277 -22.716 1.00 53.14 C ATOM 541 CD1 TRP A 38 12.905 3.060 -22.115 1.00 1.14 C ATOM 542 CD2 TRP A 38 12.985 4.066 -24.114 1.00 74.12 C ATOM 543 NE1 TRP A 38 13.210 2.105 -23.054 1.00 61.11 N ATOM 544 CE2 TRP A 38 13.264 2.696 -24.288 1.00 52.25 C ATOM 545 CE3 TRP A 38 12.977 4.900 -25.236 1.00 22.44 C ATOM 546 CZ2 TRP A 38 13.534 2.145 -25.538 1.00 53.03 C ATOM 547 CZ3 TRP A 38 13.246 4.351 -26.475 1.00 55.12 C ATOM 548 CH2 TRP A 38 13.520 2.985 -26.619 1.00 31.52 C ATOM 0 H TRP A 38 10.853 5.674 -20.102 1.00 70.13 H new ATOM 0 HA TRP A 38 13.607 4.844 -20.410 1.00 11.14 H new ATOM 0 HB2 TRP A 38 11.348 5.731 -22.085 1.00 22.01 H new ATOM 0 HB3 TRP A 38 12.884 6.393 -22.608 1.00 22.01 H new ATOM 0 HD1 TRP A 38 12.797 2.875 -21.056 1.00 1.14 H new ATOM 0 HE1 TRP A 38 13.370 1.116 -22.863 1.00 61.11 H new ATOM 0 HE3 TRP A 38 12.764 5.954 -25.136 1.00 22.44 H new ATOM 0 HZ2 TRP A 38 13.747 1.092 -25.651 1.00 53.03 H new ATOM 0 HZ3 TRP A 38 13.245 4.987 -27.348 1.00 55.12 H new ATOM 0 HH2 TRP A 38 13.724 2.587 -27.602 1.00 31.52 H new ATOM 559 N GLY A 39 14.498 6.986 -19.364 1.00 44.13 N ATOM 560 CA GLY A 39 15.218 8.202 -19.033 1.00 12.10 C ATOM 561 C GLY A 39 15.015 8.621 -17.590 1.00 71.04 C ATOM 562 O GLY A 39 14.205 9.501 -17.300 1.00 65.30 O ATOM 0 H GLY A 39 14.752 6.172 -18.805 1.00 44.13 H new ATOM 0 HA2 GLY A 39 16.282 8.053 -19.219 1.00 12.10 H new ATOM 0 HA3 GLY A 39 14.889 9.006 -19.691 1.00 12.10 H new ATOM 566 N GLY A 40 15.752 7.988 -16.682 1.00 74.35 N ATOM 567 CA GLY A 40 15.632 8.312 -15.273 1.00 44.10 C ATOM 568 C GLY A 40 16.968 8.282 -14.556 1.00 73.31 C ATOM 569 O GLY A 40 18.023 8.317 -15.190 1.00 55.40 O ATOM 0 H GLY A 40 16.430 7.257 -16.897 1.00 74.35 H new ATOM 0 HA2 GLY A 40 15.188 9.302 -15.167 1.00 44.10 H new ATOM 0 HA3 GLY A 40 14.952 7.606 -14.797 1.00 44.10 H new ATOM 573 N LYS A 41 16.924 8.217 -13.230 1.00 11.13 N ATOM 574 CA LYS A 41 18.139 8.182 -12.424 1.00 52.44 C ATOM 575 C LYS A 41 19.080 7.084 -12.907 1.00 64.22 C ATOM 576 O LYS A 41 20.259 7.332 -13.164 1.00 72.44 O ATOM 577 CB LYS A 41 17.792 7.960 -10.950 1.00 41.34 C ATOM 578 CG LYS A 41 18.562 8.862 -10.002 1.00 5.32 C ATOM 579 CD LYS A 41 19.995 8.389 -9.823 1.00 4.32 C ATOM 580 CE LYS A 41 20.900 9.518 -9.352 1.00 61.22 C ATOM 581 NZ LYS A 41 20.610 9.911 -7.945 1.00 65.14 N ATOM 0 H LYS A 41 16.059 8.187 -12.690 1.00 11.13 H new ATOM 0 HA LYS A 41 18.644 9.142 -12.531 1.00 52.44 H new ATOM 0 HB2 LYS A 41 16.724 8.125 -10.808 1.00 41.34 H new ATOM 0 HB3 LYS A 41 17.991 6.920 -10.691 1.00 41.34 H new ATOM 0 HG2 LYS A 41 18.560 9.882 -10.387 1.00 5.32 H new ATOM 0 HG3 LYS A 41 18.062 8.885 -9.034 1.00 5.32 H new ATOM 0 HD2 LYS A 41 20.023 7.574 -9.100 1.00 4.32 H new ATOM 0 HD3 LYS A 41 20.369 7.991 -10.767 1.00 4.32 H new ATOM 0 HE2 LYS A 41 21.941 9.207 -9.435 1.00 61.22 H new ATOM 0 HE3 LYS A 41 20.772 10.382 -10.004 1.00 61.22 H new ATOM 0 HZ1 LYS A 41 21.247 10.683 -7.662 1.00 65.14 H new ATOM 0 HZ2 LYS A 41 19.623 10.232 -7.870 1.00 65.14 H new ATOM 0 HZ3 LYS A 41 20.757 9.094 -7.319 1.00 65.14 H new ATOM 595 N TYR A 42 18.553 5.871 -13.029 1.00 62.33 N ATOM 596 CA TYR A 42 19.347 4.734 -13.481 1.00 3.24 C ATOM 597 C TYR A 42 19.177 4.512 -14.980 1.00 70.23 C ATOM 598 O TYR A 42 19.345 3.399 -15.478 1.00 10.14 O ATOM 599 CB TYR A 42 18.947 3.470 -12.718 1.00 12.44 C ATOM 600 CG TYR A 42 19.494 3.414 -11.309 1.00 42.33 C ATOM 601 CD1 TYR A 42 20.834 3.681 -11.053 1.00 35.14 C ATOM 602 CD2 TYR A 42 18.673 3.094 -10.236 1.00 33.24 C ATOM 603 CE1 TYR A 42 21.338 3.630 -9.768 1.00 4.24 C ATOM 604 CE2 TYR A 42 19.169 3.042 -8.947 1.00 55.33 C ATOM 605 CZ TYR A 42 20.502 3.311 -8.718 1.00 71.04 C ATOM 606 OH TYR A 42 21.000 3.259 -7.437 1.00 10.33 O ATOM 0 H TYR A 42 17.579 5.649 -12.821 1.00 62.33 H new ATOM 0 HA TYR A 42 20.396 4.954 -13.282 1.00 3.24 H new ATOM 0 HB2 TYR A 42 17.859 3.408 -12.679 1.00 12.44 H new ATOM 0 HB3 TYR A 42 19.296 2.597 -13.269 1.00 12.44 H new ATOM 0 HD1 TYR A 42 21.492 3.932 -11.872 1.00 35.14 H new ATOM 0 HD2 TYR A 42 17.629 2.882 -10.412 1.00 33.24 H new ATOM 0 HE1 TYR A 42 22.382 3.839 -9.586 1.00 4.24 H new ATOM 0 HE2 TYR A 42 18.516 2.792 -8.124 1.00 55.33 H new ATOM 0 HH TYR A 42 20.280 3.021 -6.816 1.00 10.33 H new ATOM 616 N GLY A 43 18.842 5.581 -15.696 1.00 44.04 N ATOM 617 CA GLY A 43 18.655 5.483 -17.132 1.00 41.32 C ATOM 618 C GLY A 43 17.294 4.927 -17.503 1.00 5.41 C ATOM 619 O GLY A 43 16.282 5.299 -16.910 1.00 65.12 O ATOM 0 H GLY A 43 18.697 6.513 -15.307 1.00 44.04 H new ATOM 0 HA2 GLY A 43 18.775 6.470 -17.579 1.00 41.32 H new ATOM 0 HA3 GLY A 43 19.432 4.845 -17.554 1.00 41.32 H new ATOM 623 N ASN A 44 17.270 4.035 -18.488 1.00 12.32 N ATOM 624 CA ASN A 44 16.022 3.429 -18.939 1.00 24.24 C ATOM 625 C ASN A 44 15.660 2.224 -18.075 1.00 42.14 C ATOM 626 O ASN A 44 16.336 1.196 -18.112 1.00 13.24 O ATOM 627 CB ASN A 44 16.138 3.004 -20.404 1.00 11.21 C ATOM 628 CG ASN A 44 17.323 2.091 -20.649 1.00 62.44 C ATOM 629 OD1 ASN A 44 18.476 2.515 -20.565 1.00 32.54 O ATOM 630 ND2 ASN A 44 17.044 0.829 -20.956 1.00 20.01 N ATOM 0 H ASN A 44 18.099 3.716 -18.989 1.00 12.32 H new ATOM 0 HA ASN A 44 15.230 4.172 -18.845 1.00 24.24 H new ATOM 0 HB2 ASN A 44 15.222 2.495 -20.705 1.00 11.21 H new ATOM 0 HB3 ASN A 44 16.231 3.891 -21.031 1.00 11.21 H new ATOM 0 HD21 ASN A 44 17.800 0.168 -21.133 1.00 20.01 H new ATOM 0 HD22 ASN A 44 16.073 0.521 -21.015 1.00 20.01 H new ATOM 637 N ALA A 45 14.589 2.359 -17.300 1.00 41.13 N ATOM 638 CA ALA A 45 14.135 1.281 -16.430 1.00 42.50 C ATOM 639 C ALA A 45 12.615 1.273 -16.314 1.00 13.01 C ATOM 640 O ALA A 45 11.965 2.310 -16.455 1.00 23.30 O ATOM 641 CB ALA A 45 14.771 1.411 -15.054 1.00 11.32 C ATOM 0 H ALA A 45 14.020 3.204 -17.257 1.00 41.13 H new ATOM 0 HA ALA A 45 14.444 0.334 -16.873 1.00 42.50 H new ATOM 0 HB1 ALA A 45 14.423 0.600 -14.414 1.00 11.32 H new ATOM 0 HB2 ALA A 45 15.856 1.360 -15.148 1.00 11.32 H new ATOM 0 HB3 ALA A 45 14.490 2.367 -14.612 1.00 11.32 H new ATOM 647 N CYS A 46 12.052 0.097 -16.057 1.00 2.03 N ATOM 648 CA CYS A 46 10.608 -0.047 -15.923 1.00 33.33 C ATOM 649 C CYS A 46 10.140 0.420 -14.548 1.00 15.24 C ATOM 650 O CYS A 46 10.447 -0.203 -13.531 1.00 54.13 O ATOM 651 CB CYS A 46 10.197 -1.504 -16.145 1.00 72.14 C ATOM 652 SG CYS A 46 8.404 -1.747 -16.358 1.00 12.23 S ATOM 0 H CYS A 46 12.575 -0.771 -15.937 1.00 2.03 H new ATOM 0 HA CYS A 46 10.134 0.577 -16.681 1.00 33.33 H new ATOM 0 HB2 CYS A 46 10.712 -1.885 -17.027 1.00 72.14 H new ATOM 0 HB3 CYS A 46 10.535 -2.099 -15.297 1.00 72.14 H new ATOM 657 N TRP A 47 9.395 1.520 -14.525 1.00 23.12 N ATOM 658 CA TRP A 47 8.884 2.071 -13.275 1.00 4.02 C ATOM 659 C TRP A 47 7.602 1.364 -12.852 1.00 73.50 C ATOM 660 O TRP A 47 6.832 0.897 -13.693 1.00 24.34 O ATOM 661 CB TRP A 47 8.629 3.572 -13.422 1.00 20.11 C ATOM 662 CG TRP A 47 7.962 4.181 -12.226 1.00 73.10 C ATOM 663 CD1 TRP A 47 6.622 4.208 -11.960 1.00 64.10 C ATOM 664 CD2 TRP A 47 8.603 4.852 -11.136 1.00 51.10 C ATOM 665 NE1 TRP A 47 6.392 4.856 -10.770 1.00 65.42 N ATOM 666 CE2 TRP A 47 7.591 5.260 -10.245 1.00 21.55 C ATOM 667 CE3 TRP A 47 9.933 5.147 -10.825 1.00 60.31 C ATOM 668 CZ2 TRP A 47 7.870 5.946 -9.066 1.00 2.30 C ATOM 669 CZ3 TRP A 47 10.208 5.829 -9.655 1.00 63.42 C ATOM 670 CH2 TRP A 47 9.181 6.222 -8.787 1.00 23.43 C ATOM 0 H TRP A 47 9.132 2.047 -15.357 1.00 23.12 H new ATOM 0 HA TRP A 47 9.636 1.911 -12.502 1.00 4.02 H new ATOM 0 HB2 TRP A 47 9.578 4.079 -13.597 1.00 20.11 H new ATOM 0 HB3 TRP A 47 8.009 3.743 -14.302 1.00 20.11 H new ATOM 0 HD1 TRP A 47 5.856 3.783 -12.592 1.00 64.10 H new ATOM 0 HE1 TRP A 47 5.477 5.011 -10.347 1.00 65.42 H new ATOM 0 HE3 TRP A 47 10.732 4.847 -11.487 1.00 60.31 H new ATOM 0 HZ2 TRP A 47 7.080 6.250 -8.395 1.00 2.30 H new ATOM 0 HZ3 TRP A 47 11.232 6.063 -9.405 1.00 63.42 H new ATOM 0 HH2 TRP A 47 9.429 6.753 -7.880 1.00 23.43 H new ATOM 681 N CYS A 48 7.376 1.288 -11.545 1.00 22.53 N ATOM 682 CA CYS A 48 6.186 0.637 -11.010 1.00 24.40 C ATOM 683 C CYS A 48 5.481 1.538 -10.001 1.00 33.44 C ATOM 684 O CYS A 48 6.126 2.220 -9.204 1.00 65.43 O ATOM 685 CB CYS A 48 6.559 -0.692 -10.350 1.00 65.43 C ATOM 686 SG CYS A 48 5.856 -2.156 -11.176 1.00 50.23 S ATOM 0 H CYS A 48 8.002 1.670 -10.836 1.00 22.53 H new ATOM 0 HA CYS A 48 5.504 0.445 -11.838 1.00 24.40 H new ATOM 0 HB2 CYS A 48 7.645 -0.784 -10.332 1.00 65.43 H new ATOM 0 HB3 CYS A 48 6.224 -0.677 -9.313 1.00 65.43 H new ATOM 691 N ILE A 49 4.153 1.534 -10.040 1.00 54.33 N ATOM 692 CA ILE A 49 3.360 2.350 -9.129 1.00 34.22 C ATOM 693 C ILE A 49 2.605 1.481 -8.129 1.00 34.51 C ATOM 694 O ILE A 49 1.807 0.624 -8.511 1.00 41.14 O ATOM 695 CB ILE A 49 2.351 3.229 -9.892 1.00 61.41 C ATOM 696 CG1 ILE A 49 3.081 4.139 -10.882 1.00 22.32 C ATOM 697 CG2 ILE A 49 1.523 4.053 -8.918 1.00 21.14 C ATOM 698 CD1 ILE A 49 2.175 4.736 -11.936 1.00 31.35 C ATOM 0 H ILE A 49 3.604 0.975 -10.693 1.00 54.33 H new ATOM 0 HA ILE A 49 4.058 2.994 -8.594 1.00 34.22 H new ATOM 0 HB ILE A 49 1.677 2.580 -10.452 1.00 61.41 H new ATOM 0 HG12 ILE A 49 3.566 4.946 -10.332 1.00 22.32 H new ATOM 0 HG13 ILE A 49 3.870 3.569 -11.373 1.00 22.32 H new ATOM 0 HG21 ILE A 49 0.815 4.669 -9.473 1.00 21.14 H new ATOM 0 HG22 ILE A 49 0.978 3.387 -8.249 1.00 21.14 H new ATOM 0 HG23 ILE A 49 2.182 4.695 -8.333 1.00 21.14 H new ATOM 0 HD11 ILE A 49 2.760 5.369 -12.603 1.00 31.35 H new ATOM 0 HD12 ILE A 49 1.710 3.936 -12.512 1.00 31.35 H new ATOM 0 HD13 ILE A 49 1.401 5.334 -11.454 1.00 31.35 H new ATOM 710 N LYS A 50 2.860 1.707 -6.845 1.00 0.51 N ATOM 711 CA LYS A 50 2.203 0.948 -5.788 1.00 1.03 C ATOM 712 C LYS A 50 2.586 -0.527 -5.859 1.00 14.20 C ATOM 713 O LYS A 50 1.829 -1.351 -6.374 1.00 53.12 O ATOM 714 CB LYS A 50 0.684 1.097 -5.893 1.00 14.40 C ATOM 715 CG LYS A 50 0.096 2.063 -4.878 1.00 74.52 C ATOM 716 CD LYS A 50 -1.397 1.840 -4.697 1.00 43.41 C ATOM 717 CE LYS A 50 -1.898 2.454 -3.399 1.00 21.34 C ATOM 718 NZ LYS A 50 -2.690 3.692 -3.639 1.00 61.43 N ATOM 0 H LYS A 50 3.518 2.411 -6.511 1.00 0.51 H new ATOM 0 HA LYS A 50 2.535 1.346 -4.829 1.00 1.03 H new ATOM 0 HB2 LYS A 50 0.429 1.438 -6.896 1.00 14.40 H new ATOM 0 HB3 LYS A 50 0.221 0.119 -5.762 1.00 14.40 H new ATOM 0 HG2 LYS A 50 0.602 1.939 -3.921 1.00 74.52 H new ATOM 0 HG3 LYS A 50 0.275 3.088 -5.203 1.00 74.52 H new ATOM 0 HD2 LYS A 50 -1.936 2.275 -5.539 1.00 43.41 H new ATOM 0 HD3 LYS A 50 -1.610 0.771 -4.701 1.00 43.41 H new ATOM 0 HE2 LYS A 50 -2.512 1.727 -2.867 1.00 21.34 H new ATOM 0 HE3 LYS A 50 -1.049 2.685 -2.756 1.00 21.34 H new ATOM 0 HZ1 LYS A 50 -3.013 4.079 -2.729 1.00 61.43 H new ATOM 0 HZ2 LYS A 50 -2.097 4.395 -4.124 1.00 61.43 H new ATOM 0 HZ3 LYS A 50 -3.514 3.467 -4.232 1.00 61.43 H new ATOM 732 N LEU A 51 3.763 -0.854 -5.338 1.00 41.40 N ATOM 733 CA LEU A 51 4.246 -2.230 -5.341 1.00 75.42 C ATOM 734 C LEU A 51 4.312 -2.787 -3.923 1.00 32.43 C ATOM 735 O LEU A 51 4.751 -2.119 -2.987 1.00 15.43 O ATOM 736 CB LEU A 51 5.626 -2.306 -5.996 1.00 72.41 C ATOM 737 CG LEU A 51 5.968 -3.625 -6.690 1.00 74.24 C ATOM 738 CD1 LEU A 51 4.997 -3.896 -7.829 1.00 72.12 C ATOM 739 CD2 LEU A 51 7.400 -3.603 -7.203 1.00 4.35 C ATOM 0 H LEU A 51 4.401 -0.184 -4.908 1.00 41.40 H new ATOM 0 HA LEU A 51 3.544 -2.834 -5.916 1.00 75.42 H new ATOM 0 HB2 LEU A 51 5.703 -1.503 -6.729 1.00 72.41 H new ATOM 0 HB3 LEU A 51 6.380 -2.114 -5.232 1.00 72.41 H new ATOM 0 HG LEU A 51 5.877 -4.430 -5.961 1.00 74.24 H new ATOM 0 HD11 LEU A 51 5.256 -4.839 -8.311 1.00 72.12 H new ATOM 0 HD12 LEU A 51 3.982 -3.956 -7.436 1.00 72.12 H new ATOM 0 HD13 LEU A 51 5.056 -3.087 -8.558 1.00 72.12 H new ATOM 0 HD21 LEU A 51 7.625 -4.550 -7.694 1.00 4.35 H new ATOM 0 HD22 LEU A 51 7.518 -2.787 -7.916 1.00 4.35 H new ATOM 0 HD23 LEU A 51 8.084 -3.456 -6.367 1.00 4.35 H new ATOM 751 N PRO A 52 3.868 -4.042 -3.758 1.00 60.42 N ATOM 752 CA PRO A 52 3.869 -4.718 -2.457 1.00 62.34 C ATOM 753 C PRO A 52 5.278 -5.049 -1.977 1.00 62.34 C ATOM 754 O PRO A 52 6.229 -5.040 -2.760 1.00 32.53 O ATOM 755 CB PRO A 52 3.080 -6.002 -2.724 1.00 72.42 C ATOM 756 CG PRO A 52 3.247 -6.253 -4.183 1.00 73.51 C ATOM 757 CD PRO A 52 3.331 -4.898 -4.830 1.00 25.45 C ATOM 0 HA PRO A 52 3.441 -4.094 -1.673 1.00 62.34 H new ATOM 0 HB2 PRO A 52 3.465 -6.833 -2.133 1.00 72.42 H new ATOM 0 HB3 PRO A 52 2.029 -5.883 -2.461 1.00 72.42 H new ATOM 0 HG2 PRO A 52 4.148 -6.835 -4.378 1.00 73.51 H new ATOM 0 HG3 PRO A 52 2.407 -6.823 -4.579 1.00 73.51 H new ATOM 0 HD2 PRO A 52 3.985 -4.909 -5.702 1.00 25.45 H new ATOM 0 HD3 PRO A 52 2.354 -4.553 -5.169 1.00 25.45 H new ATOM 765 N ASP A 53 5.405 -5.341 -0.688 1.00 24.13 N ATOM 766 CA ASP A 53 6.699 -5.677 -0.104 1.00 12.33 C ATOM 767 C ASP A 53 7.320 -6.877 -0.812 1.00 11.31 C ATOM 768 O ASP A 53 8.540 -6.966 -0.949 1.00 31.13 O ATOM 769 CB ASP A 53 6.547 -5.972 1.389 1.00 31.33 C ATOM 770 CG ASP A 53 7.678 -5.389 2.213 1.00 41.20 C ATOM 771 OD1 ASP A 53 8.773 -5.989 2.227 1.00 44.02 O ATOM 772 OD2 ASP A 53 7.468 -4.331 2.843 1.00 23.51 O ATOM 0 H ASP A 53 4.628 -5.352 -0.027 1.00 24.13 H new ATOM 0 HA ASP A 53 7.361 -4.821 -0.232 1.00 12.33 H new ATOM 0 HB2 ASP A 53 5.598 -5.567 1.742 1.00 31.33 H new ATOM 0 HB3 ASP A 53 6.509 -7.051 1.541 1.00 31.33 H new ATOM 777 N SER A 54 6.472 -7.797 -1.259 1.00 60.42 N ATOM 778 CA SER A 54 6.938 -8.995 -1.949 1.00 11.30 C ATOM 779 C SER A 54 7.932 -8.636 -3.049 1.00 53.35 C ATOM 780 O SER A 54 8.828 -9.416 -3.371 1.00 51.15 O ATOM 781 CB SER A 54 5.754 -9.759 -2.545 1.00 10.13 C ATOM 782 OG SER A 54 5.600 -11.024 -1.926 1.00 24.51 O ATOM 0 H SER A 54 5.459 -7.736 -1.156 1.00 60.42 H new ATOM 0 HA SER A 54 7.442 -9.631 -1.221 1.00 11.30 H new ATOM 0 HB2 SER A 54 4.841 -9.176 -2.421 1.00 10.13 H new ATOM 0 HB3 SER A 54 5.904 -9.891 -3.616 1.00 10.13 H new ATOM 0 HG SER A 54 4.836 -11.492 -2.323 1.00 24.51 H new ATOM 788 N VAL A 55 7.766 -7.448 -3.623 1.00 71.25 N ATOM 789 CA VAL A 55 8.648 -6.984 -4.687 1.00 40.53 C ATOM 790 C VAL A 55 9.409 -5.732 -4.263 1.00 72.32 C ATOM 791 O VAL A 55 8.952 -4.604 -4.451 1.00 63.45 O ATOM 792 CB VAL A 55 7.861 -6.680 -5.976 1.00 64.54 C ATOM 793 CG1 VAL A 55 8.812 -6.450 -7.141 1.00 24.31 C ATOM 794 CG2 VAL A 55 6.890 -7.810 -6.286 1.00 25.14 C ATOM 0 H VAL A 55 7.029 -6.790 -3.369 1.00 71.25 H new ATOM 0 HA VAL A 55 9.357 -7.788 -4.884 1.00 40.53 H new ATOM 0 HB VAL A 55 7.285 -5.767 -5.822 1.00 64.54 H new ATOM 0 HG11 VAL A 55 8.238 -6.237 -8.043 1.00 24.31 H new ATOM 0 HG12 VAL A 55 9.464 -5.605 -6.917 1.00 24.31 H new ATOM 0 HG13 VAL A 55 9.417 -7.343 -7.299 1.00 24.31 H new ATOM 0 HG21 VAL A 55 6.342 -7.579 -7.200 1.00 25.14 H new ATOM 0 HG22 VAL A 55 7.444 -8.739 -6.420 1.00 25.14 H new ATOM 0 HG23 VAL A 55 6.187 -7.923 -5.460 1.00 25.14 H new ATOM 804 N PRO A 56 10.598 -5.933 -3.677 1.00 21.43 N ATOM 805 CA PRO A 56 11.449 -4.833 -3.214 1.00 51.23 C ATOM 806 C PRO A 56 12.043 -4.035 -4.370 1.00 4.24 C ATOM 807 O PRO A 56 12.348 -4.588 -5.426 1.00 62.54 O ATOM 808 CB PRO A 56 12.555 -5.544 -2.431 1.00 32.31 C ATOM 809 CG PRO A 56 12.613 -6.913 -3.016 1.00 32.21 C ATOM 810 CD PRO A 56 11.204 -7.251 -3.420 1.00 43.34 C ATOM 0 HA PRO A 56 10.891 -4.106 -2.624 1.00 51.23 H new ATOM 0 HB2 PRO A 56 13.509 -5.028 -2.536 1.00 32.31 H new ATOM 0 HB3 PRO A 56 12.327 -5.578 -1.366 1.00 32.31 H new ATOM 0 HG2 PRO A 56 13.283 -6.942 -3.875 1.00 32.21 H new ATOM 0 HG3 PRO A 56 12.994 -7.632 -2.290 1.00 32.21 H new ATOM 0 HD2 PRO A 56 11.181 -7.884 -4.307 1.00 43.34 H new ATOM 0 HD3 PRO A 56 10.678 -7.789 -2.631 1.00 43.34 H new ATOM 818 N ILE A 57 12.206 -2.733 -4.161 1.00 50.43 N ATOM 819 CA ILE A 57 12.766 -1.860 -5.186 1.00 12.34 C ATOM 820 C ILE A 57 14.273 -2.057 -5.313 1.00 35.13 C ATOM 821 O ILE A 57 14.932 -2.502 -4.373 1.00 71.32 O ATOM 822 CB ILE A 57 12.477 -0.378 -4.881 1.00 44.34 C ATOM 823 CG1 ILE A 57 11.085 -0.222 -4.267 1.00 73.31 C ATOM 824 CG2 ILE A 57 12.600 0.456 -6.148 1.00 13.52 C ATOM 825 CD1 ILE A 57 9.989 -0.873 -5.082 1.00 12.11 C ATOM 0 H ILE A 57 11.959 -2.259 -3.292 1.00 50.43 H new ATOM 0 HA ILE A 57 12.287 -2.130 -6.127 1.00 12.34 H new ATOM 0 HB ILE A 57 13.212 -0.020 -4.160 1.00 44.34 H new ATOM 0 HG12 ILE A 57 11.088 -0.654 -3.266 1.00 73.31 H new ATOM 0 HG13 ILE A 57 10.863 0.839 -4.156 1.00 73.31 H new ATOM 0 HG21 ILE A 57 12.393 1.501 -5.917 1.00 13.52 H new ATOM 0 HG22 ILE A 57 13.611 0.366 -6.546 1.00 13.52 H new ATOM 0 HG23 ILE A 57 11.885 0.100 -6.889 1.00 13.52 H new ATOM 0 HD11 ILE A 57 9.030 -0.723 -4.587 1.00 12.11 H new ATOM 0 HD12 ILE A 57 9.959 -0.425 -6.075 1.00 12.11 H new ATOM 0 HD13 ILE A 57 10.188 -1.941 -5.172 1.00 12.11 H new ATOM 837 N ARG A 58 14.811 -1.721 -6.480 1.00 64.12 N ATOM 838 CA ARG A 58 16.241 -1.861 -6.730 1.00 51.32 C ATOM 839 C ARG A 58 17.045 -0.943 -5.814 1.00 42.45 C ATOM 840 O ARG A 58 16.658 0.199 -5.567 1.00 15.32 O ATOM 841 CB ARG A 58 16.558 -1.545 -8.193 1.00 53.50 C ATOM 842 CG ARG A 58 17.536 -2.518 -8.829 1.00 24.45 C ATOM 843 CD ARG A 58 18.975 -2.057 -8.653 1.00 13.11 C ATOM 844 NE ARG A 58 19.906 -2.851 -9.450 1.00 34.52 N ATOM 845 CZ ARG A 58 21.227 -2.752 -9.352 1.00 73.41 C ATOM 846 NH1 ARG A 58 21.769 -1.898 -8.496 1.00 2.30 N ATOM 847 NH2 ARG A 58 22.008 -3.510 -10.111 1.00 50.25 N ATOM 0 H ARG A 58 14.279 -1.350 -7.267 1.00 64.12 H new ATOM 0 HA ARG A 58 16.522 -2.893 -6.519 1.00 51.32 H new ATOM 0 HB2 ARG A 58 15.631 -1.549 -8.766 1.00 53.50 H new ATOM 0 HB3 ARG A 58 16.968 -0.537 -8.257 1.00 53.50 H new ATOM 0 HG2 ARG A 58 17.412 -3.505 -8.382 1.00 24.45 H new ATOM 0 HG3 ARG A 58 17.312 -2.618 -9.891 1.00 24.45 H new ATOM 0 HD2 ARG A 58 19.057 -1.008 -8.938 1.00 13.11 H new ATOM 0 HD3 ARG A 58 19.251 -2.124 -7.601 1.00 13.11 H new ATOM 0 HE ARG A 58 19.521 -3.518 -10.119 1.00 34.52 H new ATOM 0 HH11 ARG A 58 21.172 -1.315 -7.910 1.00 2.30 H new ATOM 0 HH12 ARG A 58 22.784 -1.824 -8.423 1.00 2.30 H new ATOM 0 HH21 ARG A 58 21.594 -4.169 -10.770 1.00 50.25 H new ATOM 0 HH22 ARG A 58 23.022 -3.433 -10.035 1.00 50.25 H new ATOM 861 N VAL A 59 18.167 -1.450 -5.314 1.00 4.11 N ATOM 862 CA VAL A 59 19.027 -0.676 -4.426 1.00 52.11 C ATOM 863 C VAL A 59 20.358 -0.353 -5.094 1.00 44.24 C ATOM 864 O VAL A 59 20.784 -1.017 -6.040 1.00 2.32 O ATOM 865 CB VAL A 59 19.295 -1.428 -3.109 1.00 1.42 C ATOM 866 CG1 VAL A 59 18.115 -1.281 -2.160 1.00 42.41 C ATOM 867 CG2 VAL A 59 19.589 -2.895 -3.383 1.00 45.54 C ATOM 0 H VAL A 59 18.502 -2.394 -5.509 1.00 4.11 H new ATOM 0 HA VAL A 59 18.500 0.252 -4.205 1.00 52.11 H new ATOM 0 HB VAL A 59 20.171 -0.988 -2.632 1.00 1.42 H new ATOM 0 HG11 VAL A 59 18.323 -1.819 -1.235 1.00 42.41 H new ATOM 0 HG12 VAL A 59 17.956 -0.226 -1.938 1.00 42.41 H new ATOM 0 HG13 VAL A 59 17.220 -1.693 -2.626 1.00 42.41 H new ATOM 0 HG21 VAL A 59 19.776 -3.411 -2.441 1.00 45.54 H new ATOM 0 HG22 VAL A 59 18.734 -3.350 -3.883 1.00 45.54 H new ATOM 0 HG23 VAL A 59 20.468 -2.977 -4.022 1.00 45.54 H new ATOM 877 N PRO A 60 21.034 0.692 -4.593 1.00 21.31 N ATOM 878 CA PRO A 60 22.329 1.127 -5.126 1.00 33.45 C ATOM 879 C PRO A 60 23.444 0.133 -4.820 1.00 44.04 C ATOM 880 O PRO A 60 23.901 0.028 -3.683 1.00 24.00 O ATOM 881 CB PRO A 60 22.582 2.453 -4.404 1.00 74.22 C ATOM 882 CG PRO A 60 21.802 2.351 -3.139 1.00 30.51 C ATOM 883 CD PRO A 60 20.586 1.528 -3.467 1.00 4.33 C ATOM 0 HA PRO A 60 22.315 1.213 -6.212 1.00 33.45 H new ATOM 0 HB2 PRO A 60 23.644 2.598 -4.204 1.00 74.22 H new ATOM 0 HB3 PRO A 60 22.252 3.300 -5.005 1.00 74.22 H new ATOM 0 HG2 PRO A 60 22.392 1.879 -2.354 1.00 30.51 H new ATOM 0 HG3 PRO A 60 21.518 3.338 -2.775 1.00 30.51 H new ATOM 0 HD2 PRO A 60 20.270 0.922 -2.618 1.00 4.33 H new ATOM 0 HD3 PRO A 60 19.739 2.155 -3.744 1.00 4.33 H new ATOM 891 N GLY A 61 23.879 -0.595 -5.845 1.00 4.33 N ATOM 892 CA GLY A 61 24.939 -1.570 -5.665 1.00 33.12 C ATOM 893 C GLY A 61 25.142 -2.438 -6.891 1.00 33.34 C ATOM 894 O GLY A 61 24.719 -2.081 -7.991 1.00 25.43 O ATOM 0 H GLY A 61 23.516 -0.527 -6.796 1.00 4.33 H new ATOM 0 HA2 GLY A 61 25.869 -1.052 -5.432 1.00 33.12 H new ATOM 0 HA3 GLY A 61 24.704 -2.204 -4.810 1.00 33.12 H new ATOM 898 N LYS A 62 25.792 -3.582 -6.703 1.00 13.23 N ATOM 899 CA LYS A 62 26.051 -4.504 -7.802 1.00 23.55 C ATOM 900 C LYS A 62 24.939 -5.542 -7.916 1.00 15.55 C ATOM 901 O LYS A 62 24.148 -5.723 -6.989 1.00 72.02 O ATOM 902 CB LYS A 62 27.397 -5.205 -7.600 1.00 11.24 C ATOM 903 CG LYS A 62 28.583 -4.400 -8.101 1.00 40.53 C ATOM 904 CD LYS A 62 28.734 -4.509 -9.609 1.00 73.13 C ATOM 905 CE LYS A 62 30.090 -5.081 -9.994 1.00 13.11 C ATOM 906 NZ LYS A 62 30.244 -5.196 -11.470 1.00 64.34 N ATOM 0 H LYS A 62 26.149 -3.892 -5.799 1.00 13.23 H new ATOM 0 HA LYS A 62 26.082 -3.927 -8.727 1.00 23.55 H new ATOM 0 HB2 LYS A 62 27.533 -5.414 -6.539 1.00 11.24 H new ATOM 0 HB3 LYS A 62 27.378 -6.166 -8.114 1.00 11.24 H new ATOM 0 HG2 LYS A 62 28.458 -3.354 -7.822 1.00 40.53 H new ATOM 0 HG3 LYS A 62 29.494 -4.752 -7.617 1.00 40.53 H new ATOM 0 HD2 LYS A 62 27.943 -5.143 -10.010 1.00 73.13 H new ATOM 0 HD3 LYS A 62 28.612 -3.524 -10.060 1.00 73.13 H new ATOM 0 HE2 LYS A 62 30.879 -4.444 -9.595 1.00 13.11 H new ATOM 0 HE3 LYS A 62 30.212 -6.064 -9.538 1.00 13.11 H new ATOM 0 HZ1 LYS A 62 31.181 -5.590 -11.692 1.00 64.34 H new ATOM 0 HZ2 LYS A 62 29.506 -5.824 -11.848 1.00 64.34 H new ATOM 0 HZ3 LYS A 62 30.153 -4.255 -11.903 1.00 64.34 H new ATOM 920 N CYS A 63 24.884 -6.221 -9.056 1.00 54.23 N ATOM 921 CA CYS A 63 23.869 -7.241 -9.291 1.00 52.34 C ATOM 922 C CYS A 63 24.464 -8.640 -9.164 1.00 2.02 C ATOM 923 O CYS A 63 25.628 -8.862 -9.496 1.00 61.12 O ATOM 924 CB CYS A 63 23.249 -7.063 -10.679 1.00 0.11 C ATOM 925 SG CYS A 63 22.019 -8.335 -11.113 1.00 25.24 S ATOM 0 H CYS A 63 25.531 -6.083 -9.833 1.00 54.23 H new ATOM 0 HA CYS A 63 23.092 -7.126 -8.535 1.00 52.34 H new ATOM 0 HB2 CYS A 63 22.776 -6.083 -10.731 1.00 0.11 H new ATOM 0 HB3 CYS A 63 24.044 -7.073 -11.424 1.00 0.11 H new ATOM 930 N GLN A 64 23.657 -9.579 -8.680 1.00 51.34 N ATOM 931 CA GLN A 64 24.104 -10.956 -8.509 1.00 1.24 C ATOM 932 C GLN A 64 22.990 -11.937 -8.856 1.00 71.43 C ATOM 933 O GLN A 64 21.839 -11.544 -9.051 1.00 3.54 O ATOM 934 CB GLN A 64 24.573 -11.186 -7.071 1.00 30.40 C ATOM 935 CG GLN A 64 26.039 -10.852 -6.848 1.00 61.01 C ATOM 936 CD GLN A 64 26.642 -11.618 -5.687 1.00 43.41 C ATOM 937 OE1 GLN A 64 25.967 -11.900 -4.697 1.00 70.30 O ATOM 938 NE2 GLN A 64 27.921 -11.958 -5.802 1.00 73.04 N ATOM 0 H GLN A 64 22.691 -9.411 -8.400 1.00 51.34 H new ATOM 0 HA GLN A 64 24.939 -11.128 -9.189 1.00 1.24 H new ATOM 0 HB2 GLN A 64 23.965 -10.581 -6.398 1.00 30.40 H new ATOM 0 HB3 GLN A 64 24.402 -12.229 -6.804 1.00 30.40 H new ATOM 0 HG2 GLN A 64 26.600 -11.074 -7.756 1.00 61.01 H new ATOM 0 HG3 GLN A 64 26.140 -9.782 -6.664 1.00 61.01 H new ATOM 0 HE21 GLN A 64 28.443 -11.704 -6.641 1.00 73.04 H new ATOM 0 HE22 GLN A 64 28.381 -12.473 -5.052 1.00 73.04 H new