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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 14 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 5 TYR OH : rot 105:sc= -0.904 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.0905 X(o=-0.81,f=-1.1) USER MOD Single : A 1 VAL N :NH3+ 165:sc= -0.269 (180deg=-0.551) USER MOD Single : A 11 ASN : amide:sc= -0.971 K(o=-0.97,f=-8.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= -0.0143 (180deg=-0.201) USER MOD Single : A 27 THR OG1 : rot -75:sc= 0.687 USER MOD Single : A 29 ASN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : A 33 SER OG : rot 120:sc= -4.01! USER MOD Single : A 35 TYR OH : rot -62:sc= 0.713 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.3) 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 1.362 0.355 0.075 1.00 61.42 N ATOM 2 CA VAL A 1 2.011 0.320 -1.230 1.00 52.55 C ATOM 3 C VAL A 1 2.760 1.619 -1.506 1.00 10.30 C ATOM 4 O VAL A 1 2.334 2.695 -1.085 1.00 74.13 O ATOM 5 CB VAL A 1 0.990 0.080 -2.359 1.00 10.24 C ATOM 6 CG1 VAL A 1 0.542 -1.373 -2.373 1.00 20.31 C ATOM 7 CG2 VAL A 1 -0.202 1.013 -2.205 1.00 71.41 C ATOM 0 H1 VAL A 1 0.663 -0.413 0.136 1.00 61.42 H new ATOM 0 H2 VAL A 1 2.076 0.233 0.821 1.00 61.42 H new ATOM 0 H3 VAL A 1 0.883 1.270 0.200 1.00 61.42 H new ATOM 0 HA VAL A 1 2.720 -0.508 -1.209 1.00 52.55 H new ATOM 0 HB VAL A 1 1.471 0.296 -3.313 1.00 10.24 H new ATOM 0 HG11 VAL A 1 -0.179 -1.524 -3.177 1.00 20.31 H new ATOM 0 HG12 VAL A 1 1.405 -2.018 -2.534 1.00 20.31 H new ATOM 0 HG13 VAL A 1 0.078 -1.620 -1.418 1.00 20.31 H new ATOM 0 HG21 VAL A 1 -0.913 0.830 -3.010 1.00 71.41 H new ATOM 0 HG22 VAL A 1 -0.685 0.830 -1.245 1.00 71.41 H new ATOM 0 HG23 VAL A 1 0.138 2.048 -2.249 1.00 71.41 H new ATOM 17 N ARG A 2 3.879 1.512 -2.216 1.00 35.24 N ATOM 18 CA ARG A 2 4.688 2.678 -2.547 1.00 41.01 C ATOM 19 C ARG A 2 5.300 2.538 -3.938 1.00 31.41 C ATOM 20 O ARG A 2 5.641 1.436 -4.369 1.00 34.23 O ATOM 21 CB ARG A 2 5.795 2.869 -1.508 1.00 52.13 C ATOM 22 CG ARG A 2 6.856 1.782 -1.542 1.00 64.24 C ATOM 23 CD ARG A 2 6.352 0.491 -0.918 1.00 34.43 C ATOM 24 NE ARG A 2 7.241 0.008 0.135 1.00 31.14 N ATOM 25 CZ ARG A 2 7.236 0.483 1.376 1.00 64.20 C ATOM 26 NH1 ARG A 2 6.393 1.448 1.717 1.00 64.40 N ATOM 27 NH2 ARG A 2 8.076 -0.008 2.279 1.00 61.04 N ATOM 0 H ARG A 2 4.245 0.629 -2.573 1.00 35.24 H new ATOM 0 HA ARG A 2 4.038 3.553 -2.541 1.00 41.01 H new ATOM 0 HB2 ARG A 2 6.272 3.836 -1.671 1.00 52.13 H new ATOM 0 HB3 ARG A 2 5.348 2.898 -0.514 1.00 52.13 H new ATOM 0 HG2 ARG A 2 7.155 1.596 -2.574 1.00 64.24 H new ATOM 0 HG3 ARG A 2 7.744 2.122 -1.009 1.00 64.24 H new ATOM 0 HD2 ARG A 2 5.356 0.653 -0.506 1.00 34.43 H new ATOM 0 HD3 ARG A 2 6.257 -0.272 -1.691 1.00 34.43 H new ATOM 0 HE ARG A 2 7.902 -0.734 -0.095 1.00 31.14 H new ATOM 0 HH11 ARG A 2 5.746 1.828 1.026 1.00 64.40 H new ATOM 0 HH12 ARG A 2 6.392 1.811 2.670 1.00 64.40 H new ATOM 0 HH21 ARG A 2 8.726 -0.750 2.020 1.00 61.04 H new ATOM 0 HH22 ARG A 2 8.072 0.357 3.231 1.00 61.04 H new ATOM 41 N ASP A 3 5.435 3.660 -4.635 1.00 5.32 N ATOM 42 CA ASP A 3 6.007 3.663 -5.977 1.00 15.03 C ATOM 43 C ASP A 3 7.527 3.558 -5.920 1.00 64.33 C ATOM 44 O ASP A 3 8.152 3.966 -4.942 1.00 13.14 O ATOM 45 CB ASP A 3 5.598 4.933 -6.725 1.00 63.22 C ATOM 46 CG ASP A 3 4.238 5.446 -6.296 1.00 74.41 C ATOM 47 OD1 ASP A 3 3.322 4.617 -6.111 1.00 71.54 O ATOM 48 OD2 ASP A 3 4.089 6.676 -6.144 1.00 73.02 O ATOM 0 H ASP A 3 5.156 4.580 -4.293 1.00 5.32 H new ATOM 0 HA ASP A 3 5.621 2.795 -6.512 1.00 15.03 H new ATOM 0 HB2 ASP A 3 6.345 5.708 -6.555 1.00 63.22 H new ATOM 0 HB3 ASP A 3 5.586 4.732 -7.796 1.00 63.22 H new ATOM 53 N ALA A 4 8.117 3.006 -6.976 1.00 52.41 N ATOM 54 CA ALA A 4 9.564 2.848 -7.047 1.00 41.11 C ATOM 55 C ALA A 4 9.982 2.205 -8.365 1.00 41.11 C ATOM 56 O ALA A 4 9.158 2.005 -9.258 1.00 45.53 O ATOM 57 CB ALA A 4 10.063 2.020 -5.872 1.00 53.10 C ATOM 0 H ALA A 4 7.614 2.661 -7.794 1.00 52.41 H new ATOM 0 HA ALA A 4 10.016 3.839 -6.997 1.00 41.11 H new ATOM 0 HB1 ALA A 4 11.145 1.910 -5.938 1.00 53.10 H new ATOM 0 HB2 ALA A 4 9.805 2.521 -4.939 1.00 53.10 H new ATOM 0 HB3 ALA A 4 9.596 1.035 -5.896 1.00 53.10 H new ATOM 63 N TYR A 5 11.266 1.884 -8.480 1.00 73.31 N ATOM 64 CA TYR A 5 11.793 1.266 -9.691 1.00 25.02 C ATOM 65 C TYR A 5 11.824 -0.254 -9.558 1.00 52.44 C ATOM 66 O TYR A 5 12.754 -0.819 -8.983 1.00 11.04 O ATOM 67 CB TYR A 5 13.199 1.792 -9.985 1.00 64.55 C ATOM 68 CG TYR A 5 13.242 2.819 -11.094 1.00 71.54 C ATOM 69 CD1 TYR A 5 12.906 2.476 -12.398 1.00 73.34 C ATOM 70 CD2 TYR A 5 13.619 4.131 -10.839 1.00 11.03 C ATOM 71 CE1 TYR A 5 12.944 3.410 -13.415 1.00 53.30 C ATOM 72 CE2 TYR A 5 13.658 5.073 -11.849 1.00 23.52 C ATOM 73 CZ TYR A 5 13.320 4.707 -13.135 1.00 41.41 C ATOM 74 OH TYR A 5 13.359 5.642 -14.144 1.00 44.13 O ATOM 0 H TYR A 5 11.961 2.041 -7.750 1.00 73.31 H new ATOM 0 HA TYR A 5 11.133 1.526 -10.519 1.00 25.02 H new ATOM 0 HB2 TYR A 5 13.610 2.233 -9.077 1.00 64.55 H new ATOM 0 HB3 TYR A 5 13.843 0.954 -10.252 1.00 64.55 H new ATOM 0 HD1 TYR A 5 12.610 1.461 -12.620 1.00 73.34 H new ATOM 0 HD2 TYR A 5 13.886 4.420 -9.833 1.00 11.03 H new ATOM 0 HE1 TYR A 5 12.681 3.126 -14.423 1.00 53.30 H new ATOM 0 HE2 TYR A 5 13.951 6.090 -11.633 1.00 23.52 H new ATOM 0 HH TYR A 5 12.584 6.237 -14.068 1.00 44.13 H new ATOM 84 N ILE A 6 10.800 -0.908 -10.096 1.00 62.21 N ATOM 85 CA ILE A 6 10.710 -2.362 -10.040 1.00 54.11 C ATOM 86 C ILE A 6 11.894 -3.014 -10.745 1.00 70.13 C ATOM 87 O ILE A 6 12.371 -2.520 -11.766 1.00 54.53 O ATOM 88 CB ILE A 6 9.403 -2.870 -10.679 1.00 3.52 C ATOM 89 CG1 ILE A 6 9.420 -4.396 -10.782 1.00 31.03 C ATOM 90 CG2 ILE A 6 9.206 -2.243 -12.051 1.00 43.20 C ATOM 91 CD1 ILE A 6 8.047 -5.005 -10.960 1.00 54.41 C ATOM 0 H ILE A 6 10.022 -0.455 -10.575 1.00 62.21 H new ATOM 0 HA ILE A 6 10.721 -2.638 -8.986 1.00 54.11 H new ATOM 0 HB ILE A 6 8.567 -2.577 -10.044 1.00 3.52 H new ATOM 0 HG12 ILE A 6 10.050 -4.688 -11.622 1.00 31.03 H new ATOM 0 HG13 ILE A 6 9.877 -4.808 -9.882 1.00 31.03 H new ATOM 0 HG21 ILE A 6 8.279 -2.612 -12.490 1.00 43.20 H new ATOM 0 HG22 ILE A 6 9.155 -1.159 -11.952 1.00 43.20 H new ATOM 0 HG23 ILE A 6 10.043 -2.509 -12.696 1.00 43.20 H new ATOM 0 HD11 ILE A 6 8.136 -6.089 -11.026 1.00 54.41 H new ATOM 0 HD12 ILE A 6 7.420 -4.743 -10.108 1.00 54.41 H new ATOM 0 HD13 ILE A 6 7.595 -4.622 -11.875 1.00 54.41 H new ATOM 103 N ALA A 7 12.363 -4.129 -10.194 1.00 3.40 N ATOM 104 CA ALA A 7 13.489 -4.851 -10.772 1.00 64.31 C ATOM 105 C ALA A 7 13.455 -6.325 -10.381 1.00 51.13 C ATOM 106 O ALA A 7 12.555 -6.768 -9.667 1.00 42.20 O ATOM 107 CB ALA A 7 14.803 -4.218 -10.336 1.00 75.22 C ATOM 0 H ALA A 7 11.980 -4.551 -9.348 1.00 3.40 H new ATOM 0 HA ALA A 7 13.410 -4.787 -11.857 1.00 64.31 H new ATOM 0 HB1 ALA A 7 15.635 -4.768 -10.775 1.00 75.22 H new ATOM 0 HB2 ALA A 7 14.836 -3.181 -10.671 1.00 75.22 H new ATOM 0 HB3 ALA A 7 14.880 -4.251 -9.249 1.00 75.22 H new ATOM 113 N LYS A 8 14.440 -7.081 -10.855 1.00 12.25 N ATOM 114 CA LYS A 8 14.523 -8.505 -10.555 1.00 25.33 C ATOM 115 C LYS A 8 15.877 -8.854 -9.945 1.00 65.42 C ATOM 116 O LYS A 8 16.920 -8.346 -10.357 1.00 63.13 O ATOM 117 CB LYS A 8 14.296 -9.329 -11.824 1.00 41.13 C ATOM 118 CG LYS A 8 14.577 -10.811 -11.646 1.00 51.03 C ATOM 119 CD LYS A 8 14.694 -11.521 -12.985 1.00 33.15 C ATOM 120 CE LYS A 8 15.947 -11.096 -13.733 1.00 45.05 C ATOM 121 NZ LYS A 8 16.226 -11.983 -14.896 1.00 65.25 N ATOM 0 H LYS A 8 15.192 -6.731 -11.449 1.00 12.25 H new ATOM 0 HA LYS A 8 13.745 -8.744 -9.830 1.00 25.33 H new ATOM 0 HB2 LYS A 8 13.264 -9.200 -12.151 1.00 41.13 H new ATOM 0 HB3 LYS A 8 14.933 -8.940 -12.618 1.00 41.13 H new ATOM 0 HG2 LYS A 8 15.500 -10.942 -11.082 1.00 51.03 H new ATOM 0 HG3 LYS A 8 13.778 -11.266 -11.060 1.00 51.03 H new ATOM 0 HD2 LYS A 8 14.712 -12.599 -12.826 1.00 33.15 H new ATOM 0 HD3 LYS A 8 13.815 -11.303 -13.592 1.00 33.15 H new ATOM 0 HE2 LYS A 8 15.833 -10.069 -14.079 1.00 45.05 H new ATOM 0 HE3 LYS A 8 16.799 -11.110 -13.053 1.00 45.05 H new ATOM 0 HZ1 LYS A 8 17.088 -11.660 -15.380 1.00 65.25 H new ATOM 0 HZ2 LYS A 8 16.360 -12.959 -14.564 1.00 65.25 H new ATOM 0 HZ3 LYS A 8 15.425 -11.950 -15.558 1.00 65.25 H new ATOM 135 N PRO A 9 15.864 -9.744 -8.941 1.00 52.41 N ATOM 136 CA PRO A 9 17.083 -10.182 -8.255 1.00 40.13 C ATOM 137 C PRO A 9 17.967 -11.051 -9.143 1.00 41.12 C ATOM 138 O PRO A 9 17.499 -11.632 -10.122 1.00 13.15 O ATOM 139 CB PRO A 9 16.552 -10.994 -7.071 1.00 53.14 C ATOM 140 CG PRO A 9 15.210 -11.470 -7.511 1.00 22.45 C ATOM 141 CD PRO A 9 14.657 -10.390 -8.398 1.00 62.14 C ATOM 0 HA PRO A 9 17.712 -9.340 -7.964 1.00 40.13 H new ATOM 0 HB2 PRO A 9 17.211 -11.830 -6.836 1.00 53.14 H new ATOM 0 HB3 PRO A 9 16.480 -10.382 -6.172 1.00 53.14 H new ATOM 0 HG2 PRO A 9 15.288 -12.415 -8.049 1.00 22.45 H new ATOM 0 HG3 PRO A 9 14.558 -11.644 -6.655 1.00 22.45 H new ATOM 0 HD2 PRO A 9 14.031 -10.801 -9.190 1.00 62.14 H new ATOM 0 HD3 PRO A 9 14.042 -9.686 -7.838 1.00 62.14 H new ATOM 149 N GLU A 10 19.247 -11.135 -8.795 1.00 23.12 N ATOM 150 CA GLU A 10 19.768 -10.433 -7.628 1.00 24.13 C ATOM 151 C GLU A 10 20.140 -8.995 -7.979 1.00 24.42 C ATOM 152 O GLU A 10 21.070 -8.754 -8.748 1.00 12.13 O ATOM 153 CB GLU A 10 20.990 -11.165 -7.068 1.00 34.43 C ATOM 154 CG GLU A 10 20.977 -11.302 -5.554 1.00 53.45 C ATOM 155 CD GLU A 10 20.895 -12.746 -5.099 1.00 53.34 C ATOM 156 OE1 GLU A 10 20.019 -13.478 -5.607 1.00 23.15 O ATOM 157 OE2 GLU A 10 21.705 -13.143 -4.237 1.00 20.44 O ATOM 0 H GLU A 10 19.942 -11.682 -9.304 1.00 23.12 H new ATOM 0 HA GLU A 10 18.986 -10.413 -6.869 1.00 24.13 H new ATOM 0 HB2 GLU A 10 21.044 -12.158 -7.514 1.00 34.43 H new ATOM 0 HB3 GLU A 10 21.892 -10.631 -7.368 1.00 34.43 H new ATOM 0 HG2 GLU A 10 21.879 -10.847 -5.144 1.00 53.45 H new ATOM 0 HG3 GLU A 10 20.129 -10.749 -5.150 1.00 53.45 H new ATOM 164 N ASN A 11 19.407 -8.045 -7.409 1.00 53.33 N ATOM 165 CA ASN A 11 19.658 -6.631 -7.662 1.00 41.45 C ATOM 166 C ASN A 11 19.962 -6.388 -9.138 1.00 10.33 C ATOM 167 O ASN A 11 21.094 -6.073 -9.506 1.00 62.42 O ATOM 168 CB ASN A 11 20.823 -6.136 -6.802 1.00 72.32 C ATOM 169 CG ASN A 11 20.685 -4.673 -6.428 1.00 31.33 C ATOM 170 OD1 ASN A 11 19.579 -4.133 -6.386 1.00 63.24 O ATOM 171 ND2 ASN A 11 21.810 -4.024 -6.153 1.00 24.41 N ATOM 0 H ASN A 11 18.634 -8.228 -6.769 1.00 53.33 H new ATOM 0 HA ASN A 11 18.758 -6.075 -7.398 1.00 41.45 H new ATOM 0 HB2 ASN A 11 20.881 -6.736 -5.894 1.00 72.32 H new ATOM 0 HB3 ASN A 11 21.758 -6.283 -7.342 1.00 72.32 H new ATOM 0 HD21 ASN A 11 21.780 -3.038 -5.894 1.00 24.41 H new ATOM 0 HD22 ASN A 11 22.705 -4.512 -6.200 1.00 24.41 H new ATOM 178 N CYS A 12 18.943 -6.535 -9.978 1.00 2.20 N ATOM 179 CA CYS A 12 19.099 -6.332 -11.413 1.00 45.41 C ATOM 180 C CYS A 12 17.943 -5.510 -11.975 1.00 42.52 C ATOM 181 O CYS A 12 16.778 -5.769 -11.673 1.00 62.04 O ATOM 182 CB CYS A 12 19.180 -7.679 -12.134 1.00 51.53 C ATOM 183 SG CYS A 12 20.849 -8.106 -12.726 1.00 73.45 S ATOM 0 H CYS A 12 18.000 -6.794 -9.689 1.00 2.20 H new ATOM 0 HA CYS A 12 20.026 -5.783 -11.578 1.00 45.41 H new ATOM 0 HB2 CYS A 12 18.834 -8.462 -11.459 1.00 51.53 H new ATOM 0 HB3 CYS A 12 18.497 -7.666 -12.983 1.00 51.53 H new ATOM 188 N VAL A 13 18.274 -4.517 -12.795 1.00 11.41 N ATOM 189 CA VAL A 13 17.264 -3.657 -13.401 1.00 1.02 C ATOM 190 C VAL A 13 16.593 -4.347 -14.583 1.00 40.42 C ATOM 191 O VAL A 13 17.060 -5.382 -15.059 1.00 5.34 O ATOM 192 CB VAL A 13 17.873 -2.324 -13.876 1.00 22.42 C ATOM 193 CG1 VAL A 13 18.460 -1.557 -12.701 1.00 41.52 C ATOM 194 CG2 VAL A 13 18.929 -2.572 -14.943 1.00 10.04 C ATOM 0 H VAL A 13 19.234 -4.288 -13.055 1.00 11.41 H new ATOM 0 HA VAL A 13 16.519 -3.453 -12.632 1.00 1.02 H new ATOM 0 HB VAL A 13 17.081 -1.718 -14.315 1.00 22.42 H new ATOM 0 HG11 VAL A 13 18.886 -0.618 -13.055 1.00 41.52 H new ATOM 0 HG12 VAL A 13 17.675 -1.348 -11.974 1.00 41.52 H new ATOM 0 HG13 VAL A 13 19.241 -2.154 -12.230 1.00 41.52 H new ATOM 0 HG21 VAL A 13 19.349 -1.620 -15.267 1.00 10.04 H new ATOM 0 HG22 VAL A 13 19.722 -3.197 -14.532 1.00 10.04 H new ATOM 0 HG23 VAL A 13 18.474 -3.077 -15.795 1.00 10.04 H new ATOM 204 N TYR A 14 15.495 -3.766 -15.054 1.00 31.10 N ATOM 205 CA TYR A 14 14.758 -4.326 -16.181 1.00 15.35 C ATOM 206 C TYR A 14 14.581 -3.288 -17.285 1.00 73.42 C ATOM 207 O TYR A 14 13.747 -2.390 -17.179 1.00 40.41 O ATOM 208 CB TYR A 14 13.391 -4.835 -15.720 1.00 14.20 C ATOM 209 CG TYR A 14 13.258 -6.340 -15.766 1.00 23.33 C ATOM 210 CD1 TYR A 14 13.612 -7.054 -16.904 1.00 31.43 C ATOM 211 CD2 TYR A 14 12.780 -7.049 -14.670 1.00 3.30 C ATOM 212 CE1 TYR A 14 13.492 -8.430 -16.950 1.00 12.20 C ATOM 213 CE2 TYR A 14 12.658 -8.424 -14.707 1.00 23.33 C ATOM 214 CZ TYR A 14 13.015 -9.110 -15.849 1.00 72.20 C ATOM 215 OH TYR A 14 12.895 -10.480 -15.891 1.00 21.44 O ATOM 0 H TYR A 14 15.096 -2.908 -14.673 1.00 31.10 H new ATOM 0 HA TYR A 14 15.333 -5.161 -16.581 1.00 15.35 H new ATOM 0 HB2 TYR A 14 13.211 -4.494 -14.701 1.00 14.20 H new ATOM 0 HB3 TYR A 14 12.617 -4.391 -16.346 1.00 14.20 H new ATOM 0 HD1 TYR A 14 13.987 -6.525 -17.767 1.00 31.43 H new ATOM 0 HD2 TYR A 14 12.499 -6.515 -13.774 1.00 3.30 H new ATOM 0 HE1 TYR A 14 13.770 -8.970 -17.843 1.00 12.20 H new ATOM 0 HE2 TYR A 14 12.285 -8.959 -13.846 1.00 23.33 H new ATOM 0 HH TYR A 14 13.576 -10.850 -16.491 1.00 21.44 H new ATOM 225 N GLU A 15 15.372 -3.422 -18.345 1.00 53.33 N ATOM 226 CA GLU A 15 15.303 -2.496 -19.470 1.00 31.10 C ATOM 227 C GLU A 15 14.120 -2.827 -20.375 1.00 52.22 C ATOM 228 O GLU A 15 13.934 -3.975 -20.778 1.00 74.41 O ATOM 229 CB GLU A 15 16.603 -2.540 -20.275 1.00 42.14 C ATOM 230 CG GLU A 15 16.870 -3.886 -20.928 1.00 0.11 C ATOM 231 CD GLU A 15 18.271 -3.990 -21.499 1.00 31.13 C ATOM 232 OE1 GLU A 15 19.238 -3.927 -20.711 1.00 1.30 O ATOM 233 OE2 GLU A 15 18.400 -4.134 -22.732 1.00 64.52 O ATOM 0 H GLU A 15 16.067 -4.161 -18.448 1.00 53.33 H new ATOM 0 HA GLU A 15 15.164 -1.491 -19.072 1.00 31.10 H new ATOM 0 HB2 GLU A 15 16.568 -1.772 -21.047 1.00 42.14 H new ATOM 0 HB3 GLU A 15 17.436 -2.293 -19.617 1.00 42.14 H new ATOM 0 HG2 GLU A 15 16.721 -4.678 -20.194 1.00 0.11 H new ATOM 0 HG3 GLU A 15 16.144 -4.050 -21.724 1.00 0.11 H new ATOM 240 N CYS A 16 13.322 -1.812 -20.691 1.00 1.13 N ATOM 241 CA CYS A 16 12.156 -1.993 -21.547 1.00 1.41 C ATOM 242 C CYS A 16 11.853 -0.718 -22.329 1.00 52.01 C ATOM 243 O CYS A 16 11.973 0.388 -21.805 1.00 2.33 O ATOM 244 CB CYS A 16 10.939 -2.392 -20.710 1.00 4.14 C ATOM 245 SG CYS A 16 10.303 -1.061 -19.641 1.00 2.11 S ATOM 0 H CYS A 16 13.462 -0.855 -20.367 1.00 1.13 H new ATOM 0 HA CYS A 16 12.377 -2.790 -22.256 1.00 1.41 H new ATOM 0 HB2 CYS A 16 10.143 -2.718 -21.379 1.00 4.14 H new ATOM 0 HB3 CYS A 16 11.204 -3.247 -20.088 1.00 4.14 H new ATOM 250 N GLY A 17 11.458 -0.882 -23.588 1.00 62.52 N ATOM 251 CA GLY A 17 11.144 0.262 -24.423 1.00 14.54 C ATOM 252 C GLY A 17 10.497 -0.136 -25.734 1.00 72.22 C ATOM 253 O GLY A 17 9.583 0.536 -26.213 1.00 13.15 O ATOM 0 H GLY A 17 11.350 -1.788 -24.045 1.00 62.52 H new ATOM 0 HA2 GLY A 17 10.476 0.931 -23.881 1.00 14.54 H new ATOM 0 HA3 GLY A 17 12.058 0.820 -24.627 1.00 14.54 H new ATOM 257 N ILE A 18 10.972 -1.231 -26.318 1.00 24.01 N ATOM 258 CA ILE A 18 10.434 -1.717 -27.582 1.00 63.13 C ATOM 259 C ILE A 18 9.091 -2.410 -27.378 1.00 65.22 C ATOM 260 O ILE A 18 8.043 -1.877 -27.743 1.00 32.40 O ATOM 261 CB ILE A 18 11.406 -2.696 -28.268 1.00 75.12 C ATOM 262 CG1 ILE A 18 12.752 -2.017 -28.525 1.00 3.32 C ATOM 263 CG2 ILE A 18 10.809 -3.210 -29.570 1.00 14.51 C ATOM 264 CD1 ILE A 18 13.835 -2.436 -27.555 1.00 11.31 C ATOM 0 H ILE A 18 11.729 -1.798 -25.936 1.00 24.01 H new ATOM 0 HA ILE A 18 10.296 -0.846 -28.222 1.00 63.13 H new ATOM 0 HB ILE A 18 11.570 -3.546 -27.605 1.00 75.12 H new ATOM 0 HG12 ILE A 18 13.077 -2.245 -29.540 1.00 3.32 H new ATOM 0 HG13 ILE A 18 12.622 -0.936 -28.467 1.00 3.32 H new ATOM 0 HG21 ILE A 18 11.507 -3.900 -30.043 1.00 14.51 H new ATOM 0 HG22 ILE A 18 9.872 -3.727 -29.362 1.00 14.51 H new ATOM 0 HG23 ILE A 18 10.619 -2.371 -30.239 1.00 14.51 H new ATOM 0 HD11 ILE A 18 14.762 -1.915 -27.797 1.00 11.31 H new ATOM 0 HD12 ILE A 18 13.531 -2.183 -26.539 1.00 11.31 H new ATOM 0 HD13 ILE A 18 13.993 -3.512 -27.629 1.00 11.31 H new ATOM 276 N THR A 19 9.130 -3.602 -26.791 1.00 20.24 N ATOM 277 CA THR A 19 7.917 -4.369 -26.537 1.00 12.33 C ATOM 278 C THR A 19 7.006 -3.646 -25.551 1.00 52.21 C ATOM 279 O THR A 19 5.785 -3.645 -25.707 1.00 41.00 O ATOM 280 CB THR A 19 8.242 -5.769 -25.985 1.00 24.43 C ATOM 281 OG1 THR A 19 9.644 -6.032 -26.112 1.00 23.32 O ATOM 282 CG2 THR A 19 7.452 -6.839 -26.723 1.00 33.14 C ATOM 0 H THR A 19 9.989 -4.057 -26.482 1.00 20.24 H new ATOM 0 HA THR A 19 7.404 -4.474 -27.493 1.00 12.33 H new ATOM 0 HB THR A 19 7.961 -5.794 -24.932 1.00 24.43 H new ATOM 0 HG1 THR A 19 9.843 -6.924 -25.757 1.00 23.32 H new ATOM 0 HG21 THR A 19 7.699 -7.819 -26.315 1.00 33.14 H new ATOM 0 HG22 THR A 19 6.385 -6.653 -26.601 1.00 33.14 H new ATOM 0 HG23 THR A 19 7.706 -6.813 -27.783 1.00 33.14 H new ATOM 290 N GLN A 20 7.607 -3.031 -24.538 1.00 24.33 N ATOM 291 CA GLN A 20 6.849 -2.304 -23.527 1.00 35.42 C ATOM 292 C GLN A 20 5.851 -3.224 -22.829 1.00 42.44 C ATOM 293 O GLN A 20 4.702 -3.346 -23.255 1.00 2.55 O ATOM 294 CB GLN A 20 6.113 -1.123 -24.162 1.00 44.02 C ATOM 295 CG GLN A 20 5.247 -0.347 -23.183 1.00 23.53 C ATOM 296 CD GLN A 20 4.427 0.734 -23.858 1.00 70.44 C ATOM 297 OE1 GLN A 20 4.284 0.748 -25.081 1.00 60.43 O ATOM 298 NE2 GLN A 20 3.882 1.647 -23.064 1.00 3.53 N ATOM 0 H GLN A 20 8.617 -3.022 -24.396 1.00 24.33 H new ATOM 0 HA GLN A 20 7.551 -1.928 -22.783 1.00 35.42 H new ATOM 0 HB2 GLN A 20 6.844 -0.445 -24.604 1.00 44.02 H new ATOM 0 HB3 GLN A 20 5.487 -1.491 -24.975 1.00 44.02 H new ATOM 0 HG2 GLN A 20 4.578 -1.038 -22.669 1.00 23.53 H new ATOM 0 HG3 GLN A 20 5.882 0.106 -22.422 1.00 23.53 H new ATOM 0 HE21 GLN A 20 4.026 1.597 -22.055 1.00 3.53 H new ATOM 0 HE22 GLN A 20 3.319 2.398 -23.462 1.00 3.53 H new ATOM 307 N ASP A 21 6.298 -3.868 -21.757 1.00 60.23 N ATOM 308 CA ASP A 21 5.444 -4.776 -21.000 1.00 63.31 C ATOM 309 C ASP A 21 5.576 -4.523 -19.502 1.00 22.45 C ATOM 310 O ASP A 21 5.244 -5.383 -18.684 1.00 52.54 O ATOM 311 CB ASP A 21 5.801 -6.229 -21.318 1.00 75.40 C ATOM 312 CG ASP A 21 5.068 -6.751 -22.538 1.00 71.43 C ATOM 313 OD1 ASP A 21 5.571 -6.550 -23.663 1.00 63.31 O ATOM 314 OD2 ASP A 21 3.991 -7.360 -22.369 1.00 34.34 O ATOM 0 H ASP A 21 7.246 -3.778 -21.392 1.00 60.23 H new ATOM 0 HA ASP A 21 4.410 -4.592 -21.292 1.00 63.31 H new ATOM 0 HB2 ASP A 21 6.876 -6.309 -21.482 1.00 75.40 H new ATOM 0 HB3 ASP A 21 5.562 -6.855 -20.458 1.00 75.40 H new ATOM 319 N CYS A 22 6.064 -3.339 -19.147 1.00 65.42 N ATOM 320 CA CYS A 22 6.242 -2.973 -17.747 1.00 44.15 C ATOM 321 C CYS A 22 4.904 -2.955 -17.015 1.00 74.44 C ATOM 322 O CYS A 22 4.789 -3.459 -15.899 1.00 14.11 O ATOM 323 CB CYS A 22 6.913 -1.602 -17.639 1.00 24.22 C ATOM 324 SG CYS A 22 8.474 -1.462 -18.569 1.00 34.42 S ATOM 0 H CYS A 22 6.343 -2.616 -19.810 1.00 65.42 H new ATOM 0 HA CYS A 22 6.882 -3.722 -17.280 1.00 44.15 H new ATOM 0 HB2 CYS A 22 6.220 -0.841 -17.997 1.00 24.22 H new ATOM 0 HB3 CYS A 22 7.108 -1.387 -16.588 1.00 24.22 H new ATOM 329 N ASN A 23 3.894 -2.372 -17.653 1.00 61.15 N ATOM 330 CA ASN A 23 2.563 -2.288 -17.063 1.00 60.43 C ATOM 331 C ASN A 23 2.042 -3.675 -16.697 1.00 43.10 C ATOM 332 O ASN A 23 1.430 -3.863 -15.645 1.00 41.24 O ATOM 333 CB ASN A 23 1.595 -1.607 -18.032 1.00 74.34 C ATOM 334 CG ASN A 23 0.560 -0.761 -17.316 1.00 41.44 C ATOM 335 OD1 ASN A 23 0.282 0.370 -17.717 1.00 30.22 O ATOM 336 ND2 ASN A 23 -0.015 -1.305 -16.251 1.00 31.34 N ATOM 0 H ASN A 23 3.972 -1.951 -18.579 1.00 61.15 H new ATOM 0 HA ASN A 23 2.633 -1.693 -16.152 1.00 60.43 H new ATOM 0 HB2 ASN A 23 2.158 -0.980 -18.723 1.00 74.34 H new ATOM 0 HB3 ASN A 23 1.090 -2.366 -18.630 1.00 74.34 H new ATOM 0 HD21 ASN A 23 -0.718 -0.783 -15.729 1.00 31.34 H new ATOM 0 HD22 ASN A 23 0.246 -2.245 -15.955 1.00 31.34 H new ATOM 343 N LYS A 24 2.290 -4.644 -17.572 1.00 22.04 N ATOM 344 CA LYS A 24 1.849 -6.014 -17.341 1.00 70.51 C ATOM 345 C LYS A 24 2.622 -6.648 -16.189 1.00 32.40 C ATOM 346 O LYS A 24 2.031 -7.118 -15.216 1.00 31.24 O ATOM 347 CB LYS A 24 2.029 -6.850 -18.611 1.00 35.25 C ATOM 348 CG LYS A 24 1.032 -7.990 -18.735 1.00 1.25 C ATOM 349 CD LYS A 24 -0.154 -7.602 -19.602 1.00 4.00 C ATOM 350 CE LYS A 24 -1.067 -8.790 -19.860 1.00 74.15 C ATOM 351 NZ LYS A 24 -0.415 -9.814 -20.723 1.00 54.11 N ATOM 0 H LYS A 24 2.794 -4.505 -18.448 1.00 22.04 H new ATOM 0 HA LYS A 24 0.792 -5.989 -17.076 1.00 70.51 H new ATOM 0 HB2 LYS A 24 1.935 -6.200 -19.481 1.00 35.25 H new ATOM 0 HB3 LYS A 24 3.039 -7.259 -18.627 1.00 35.25 H new ATOM 0 HG2 LYS A 24 1.527 -8.862 -19.163 1.00 1.25 H new ATOM 0 HG3 LYS A 24 0.681 -8.277 -17.744 1.00 1.25 H new ATOM 0 HD2 LYS A 24 -0.718 -6.807 -19.114 1.00 4.00 H new ATOM 0 HD3 LYS A 24 0.203 -7.203 -20.551 1.00 4.00 H new ATOM 0 HE2 LYS A 24 -1.351 -9.243 -18.910 1.00 74.15 H new ATOM 0 HE3 LYS A 24 -1.985 -8.446 -20.336 1.00 74.15 H new ATOM 0 HZ1 LYS A 24 -1.134 -10.473 -21.083 1.00 54.11 H new ATOM 0 HZ2 LYS A 24 0.057 -9.345 -21.523 1.00 54.11 H new ATOM 0 HZ3 LYS A 24 0.289 -10.340 -20.166 1.00 54.11 H new ATOM 365 N LEU A 25 3.945 -6.657 -16.304 1.00 62.35 N ATOM 366 CA LEU A 25 4.800 -7.232 -15.271 1.00 75.32 C ATOM 367 C LEU A 25 4.506 -6.606 -13.911 1.00 61.45 C ATOM 368 O LEU A 25 4.400 -7.306 -12.904 1.00 24.13 O ATOM 369 CB LEU A 25 6.273 -7.032 -15.630 1.00 71.03 C ATOM 370 CG LEU A 25 7.267 -7.953 -14.922 1.00 45.50 C ATOM 371 CD1 LEU A 25 7.351 -9.295 -15.631 1.00 72.15 C ATOM 372 CD2 LEU A 25 8.640 -7.300 -14.849 1.00 41.54 C ATOM 0 H LEU A 25 4.450 -6.272 -17.103 1.00 62.35 H new ATOM 0 HA LEU A 25 4.589 -8.300 -15.212 1.00 75.32 H new ATOM 0 HB2 LEU A 25 6.386 -7.167 -16.706 1.00 71.03 H new ATOM 0 HB3 LEU A 25 6.543 -6.000 -15.408 1.00 71.03 H new ATOM 0 HG LEU A 25 6.913 -8.124 -13.905 1.00 45.50 H new ATOM 0 HD11 LEU A 25 8.063 -9.937 -15.112 1.00 72.15 H new ATOM 0 HD12 LEU A 25 6.369 -9.769 -15.631 1.00 72.15 H new ATOM 0 HD13 LEU A 25 7.681 -9.143 -16.659 1.00 72.15 H new ATOM 0 HD21 LEU A 25 9.335 -7.970 -14.342 1.00 41.54 H new ATOM 0 HD22 LEU A 25 9.001 -7.098 -15.857 1.00 41.54 H new ATOM 0 HD23 LEU A 25 8.569 -6.364 -14.295 1.00 41.54 H new ATOM 384 N CYS A 26 4.374 -5.284 -13.891 1.00 35.43 N ATOM 385 CA CYS A 26 4.090 -4.563 -12.656 1.00 23.01 C ATOM 386 C CYS A 26 2.752 -4.998 -12.066 1.00 72.44 C ATOM 387 O CYS A 26 2.674 -5.407 -10.907 1.00 51.51 O ATOM 388 CB CYS A 26 4.081 -3.055 -12.912 1.00 53.24 C ATOM 389 SG CYS A 26 5.698 -2.250 -12.678 1.00 22.32 S ATOM 0 H CYS A 26 4.459 -4.690 -14.716 1.00 35.43 H new ATOM 0 HA CYS A 26 4.876 -4.799 -11.939 1.00 23.01 H new ATOM 0 HB2 CYS A 26 3.741 -2.873 -13.931 1.00 53.24 H new ATOM 0 HB3 CYS A 26 3.355 -2.589 -12.246 1.00 53.24 H new ATOM 394 N THR A 27 1.699 -4.909 -12.873 1.00 51.22 N ATOM 395 CA THR A 27 0.364 -5.292 -12.433 1.00 14.04 C ATOM 396 C THR A 27 0.348 -6.722 -11.906 1.00 31.35 C ATOM 397 O THR A 27 -0.131 -6.981 -10.802 1.00 1.11 O ATOM 398 CB THR A 27 -0.662 -5.166 -13.575 1.00 34.54 C ATOM 399 OG1 THR A 27 -0.175 -5.829 -14.746 1.00 62.44 O ATOM 400 CG2 THR A 27 -0.943 -3.705 -13.892 1.00 62.40 C ATOM 0 H THR A 27 1.746 -4.575 -13.836 1.00 51.22 H new ATOM 0 HA THR A 27 0.088 -4.609 -11.630 1.00 14.04 H new ATOM 0 HB THR A 27 -1.591 -5.636 -13.252 1.00 34.54 H new ATOM 0 HG1 THR A 27 0.530 -5.288 -15.159 1.00 62.44 H new ATOM 0 HG21 THR A 27 -1.670 -3.642 -14.701 1.00 62.40 H new ATOM 0 HG22 THR A 27 -1.342 -3.211 -13.006 1.00 62.40 H new ATOM 0 HG23 THR A 27 -0.018 -3.214 -14.196 1.00 62.40 H new ATOM 408 N GLU A 28 0.875 -7.647 -12.702 1.00 21.35 N ATOM 409 CA GLU A 28 0.921 -9.052 -12.313 1.00 73.14 C ATOM 410 C GLU A 28 1.629 -9.223 -10.972 1.00 73.45 C ATOM 411 O GLU A 28 1.173 -9.973 -10.110 1.00 5.23 O ATOM 412 CB GLU A 28 1.632 -9.878 -13.387 1.00 60.12 C ATOM 413 CG GLU A 28 0.736 -10.905 -14.058 1.00 73.40 C ATOM 414 CD GLU A 28 0.447 -12.098 -13.167 1.00 64.24 C ATOM 415 OE1 GLU A 28 1.411 -12.769 -12.743 1.00 21.12 O ATOM 416 OE2 GLU A 28 -0.743 -12.360 -12.895 1.00 20.41 O ATOM 0 H GLU A 28 1.276 -7.449 -13.619 1.00 21.35 H new ATOM 0 HA GLU A 28 -0.104 -9.408 -12.210 1.00 73.14 H new ATOM 0 HB2 GLU A 28 2.031 -9.205 -14.146 1.00 60.12 H new ATOM 0 HB3 GLU A 28 2.482 -10.390 -12.936 1.00 60.12 H new ATOM 0 HG2 GLU A 28 -0.204 -10.432 -14.341 1.00 73.40 H new ATOM 0 HG3 GLU A 28 1.209 -11.249 -14.978 1.00 73.40 H new ATOM 423 N ASN A 29 2.746 -8.523 -10.806 1.00 50.12 N ATOM 424 CA ASN A 29 3.518 -8.598 -9.571 1.00 44.34 C ATOM 425 C ASN A 29 2.674 -8.171 -8.375 1.00 13.03 C ATOM 426 O ASN A 29 2.959 -8.541 -7.237 1.00 31.14 O ATOM 427 CB ASN A 29 4.765 -7.716 -9.671 1.00 14.33 C ATOM 428 CG ASN A 29 6.022 -8.520 -9.937 1.00 24.02 C ATOM 429 OD1 ASN A 29 6.752 -8.877 -9.011 1.00 50.45 O ATOM 430 ND2 ASN A 29 6.282 -8.809 -11.207 1.00 31.34 N ATOM 0 H ASN A 29 3.137 -7.898 -11.511 1.00 50.12 H new ATOM 0 HA ASN A 29 3.824 -9.634 -9.425 1.00 44.34 H new ATOM 0 HB2 ASN A 29 4.628 -6.987 -10.469 1.00 14.33 H new ATOM 0 HB3 ASN A 29 4.885 -7.155 -8.744 1.00 14.33 H new ATOM 0 HD21 ASN A 29 7.114 -9.347 -11.447 1.00 31.34 H new ATOM 0 HD22 ASN A 29 5.649 -8.493 -11.942 1.00 31.34 H new ATOM 437 N GLY A 30 1.631 -7.390 -8.641 1.00 44.43 N ATOM 438 CA GLY A 30 0.761 -6.926 -7.577 1.00 13.40 C ATOM 439 C GLY A 30 0.756 -5.415 -7.449 1.00 32.21 C ATOM 440 O GLY A 30 0.158 -4.866 -6.524 1.00 22.01 O ATOM 0 H GLY A 30 1.373 -7.071 -9.575 1.00 44.43 H new ATOM 0 HA2 GLY A 30 -0.255 -7.275 -7.764 1.00 13.40 H new ATOM 0 HA3 GLY A 30 1.081 -7.366 -6.633 1.00 13.40 H new ATOM 444 N ALA A 31 1.425 -4.742 -8.379 1.00 1.12 N ATOM 445 CA ALA A 31 1.495 -3.286 -8.366 1.00 23.01 C ATOM 446 C ALA A 31 0.238 -2.671 -8.971 1.00 42.52 C ATOM 447 O ALA A 31 -0.388 -3.258 -9.852 1.00 55.12 O ATOM 448 CB ALA A 31 2.731 -2.811 -9.115 1.00 3.50 C ATOM 0 H ALA A 31 1.926 -5.182 -9.151 1.00 1.12 H new ATOM 0 HA ALA A 31 1.564 -2.959 -7.329 1.00 23.01 H new ATOM 0 HB1 ALA A 31 2.771 -1.722 -9.098 1.00 3.50 H new ATOM 0 HB2 ALA A 31 3.624 -3.214 -8.637 1.00 3.50 H new ATOM 0 HB3 ALA A 31 2.685 -3.156 -10.148 1.00 3.50 H new ATOM 454 N GLU A 32 -0.125 -1.485 -8.492 1.00 5.24 N ATOM 455 CA GLU A 32 -1.308 -0.792 -8.986 1.00 14.54 C ATOM 456 C GLU A 32 -1.130 -0.381 -10.444 1.00 64.45 C ATOM 457 O GLU A 32 -2.032 -0.554 -11.264 1.00 0.51 O ATOM 458 CB GLU A 32 -1.598 0.443 -8.129 1.00 72.12 C ATOM 459 CG GLU A 32 -3.003 0.993 -8.310 1.00 31.22 C ATOM 460 CD GLU A 32 -3.023 2.302 -9.075 1.00 73.32 C ATOM 461 OE1 GLU A 32 -2.476 3.299 -8.559 1.00 20.41 O ATOM 462 OE2 GLU A 32 -3.586 2.329 -10.189 1.00 52.44 O ATOM 0 H GLU A 32 0.383 -0.985 -7.763 1.00 5.24 H new ATOM 0 HA GLU A 32 -2.152 -1.478 -8.921 1.00 14.54 H new ATOM 0 HB2 GLU A 32 -1.448 0.190 -7.079 1.00 72.12 H new ATOM 0 HB3 GLU A 32 -0.877 1.223 -8.375 1.00 72.12 H new ATOM 0 HG2 GLU A 32 -3.611 0.259 -8.838 1.00 31.22 H new ATOM 0 HG3 GLU A 32 -3.460 1.141 -7.332 1.00 31.22 H new ATOM 469 N SER A 33 0.041 0.163 -10.761 1.00 21.31 N ATOM 470 CA SER A 33 0.338 0.602 -12.119 1.00 73.14 C ATOM 471 C SER A 33 1.811 0.386 -12.451 1.00 3.25 C ATOM 472 O SER A 33 2.627 0.130 -11.566 1.00 31.21 O ATOM 473 CB SER A 33 -0.025 2.078 -12.291 1.00 45.32 C ATOM 474 OG SER A 33 1.073 2.817 -12.801 1.00 35.34 O ATOM 0 H SER A 33 0.800 0.310 -10.095 1.00 21.31 H new ATOM 0 HA SER A 33 -0.262 0.005 -12.806 1.00 73.14 H new ATOM 0 HB2 SER A 33 -0.875 2.170 -12.967 1.00 45.32 H new ATOM 0 HB3 SER A 33 -0.334 2.494 -11.332 1.00 45.32 H new ATOM 0 HG SER A 33 0.824 3.223 -13.657 1.00 35.34 H new ATOM 480 N GLY A 34 2.145 0.492 -13.733 1.00 40.43 N ATOM 481 CA GLY A 34 3.520 0.306 -14.160 1.00 55.21 C ATOM 482 C GLY A 34 3.733 0.690 -15.611 1.00 21.21 C ATOM 483 O GLY A 34 2.803 0.644 -16.416 1.00 14.32 O ATOM 0 H GLY A 34 1.488 0.703 -14.484 1.00 40.43 H new ATOM 0 HA2 GLY A 34 4.177 0.904 -13.529 1.00 55.21 H new ATOM 0 HA3 GLY A 34 3.804 -0.737 -14.018 1.00 55.21 H new ATOM 487 N TYR A 35 4.961 1.070 -15.946 1.00 11.43 N ATOM 488 CA TYR A 35 5.293 1.468 -17.309 1.00 31.13 C ATOM 489 C TYR A 35 6.805 1.523 -17.507 1.00 75.34 C ATOM 490 O TYR A 35 7.574 1.309 -16.570 1.00 62.12 O ATOM 491 CB TYR A 35 4.675 2.830 -17.630 1.00 23.11 C ATOM 492 CG TYR A 35 4.843 3.847 -16.523 1.00 73.34 C ATOM 493 CD1 TYR A 35 6.104 4.288 -16.144 1.00 25.23 C ATOM 494 CD2 TYR A 35 3.740 4.366 -15.857 1.00 35.51 C ATOM 495 CE1 TYR A 35 6.262 5.216 -15.133 1.00 4.12 C ATOM 496 CE2 TYR A 35 3.888 5.295 -14.846 1.00 51.20 C ATOM 497 CZ TYR A 35 5.151 5.717 -14.487 1.00 42.14 C ATOM 498 OH TYR A 35 5.303 6.642 -13.480 1.00 23.01 O ATOM 0 H TYR A 35 5.743 1.111 -15.292 1.00 11.43 H new ATOM 0 HA TYR A 35 4.883 0.721 -17.989 1.00 31.13 H new ATOM 0 HB2 TYR A 35 5.128 3.219 -18.542 1.00 23.11 H new ATOM 0 HB3 TYR A 35 3.612 2.699 -17.833 1.00 23.11 H new ATOM 0 HD1 TYR A 35 6.976 3.899 -16.648 1.00 25.23 H new ATOM 0 HD2 TYR A 35 2.749 4.037 -16.135 1.00 35.51 H new ATOM 0 HE1 TYR A 35 7.250 5.547 -14.850 1.00 4.12 H new ATOM 0 HE2 TYR A 35 3.019 5.689 -14.339 1.00 51.20 H new ATOM 0 HH TYR A 35 5.821 6.247 -12.748 1.00 23.01 H new ATOM 508 N CYS A 36 7.223 1.811 -18.735 1.00 2.50 N ATOM 509 CA CYS A 36 8.642 1.895 -19.060 1.00 11.43 C ATOM 510 C CYS A 36 9.160 3.318 -18.869 1.00 43.03 C ATOM 511 O CYS A 36 8.831 4.217 -19.642 1.00 43.15 O ATOM 512 CB CYS A 36 8.885 1.441 -20.500 1.00 54.13 C ATOM 513 SG CYS A 36 8.671 -0.349 -20.761 1.00 72.13 S ATOM 0 H CYS A 36 6.599 1.990 -19.522 1.00 2.50 H new ATOM 0 HA CYS A 36 9.184 1.235 -18.382 1.00 11.43 H new ATOM 0 HB2 CYS A 36 8.202 1.978 -21.159 1.00 54.13 H new ATOM 0 HB3 CYS A 36 9.897 1.722 -20.792 1.00 54.13 H new ATOM 518 N GLN A 37 9.972 3.513 -17.835 1.00 62.41 N ATOM 519 CA GLN A 37 10.535 4.825 -17.543 1.00 44.42 C ATOM 520 C GLN A 37 11.790 5.077 -18.374 1.00 34.42 C ATOM 521 O GLN A 37 12.900 4.756 -17.951 1.00 23.13 O ATOM 522 CB GLN A 37 10.864 4.943 -16.054 1.00 14.22 C ATOM 523 CG GLN A 37 10.011 5.967 -15.322 1.00 42.21 C ATOM 524 CD GLN A 37 10.551 7.378 -15.454 1.00 62.43 C ATOM 525 OE1 GLN A 37 11.242 7.876 -14.565 1.00 51.11 O ATOM 526 NE2 GLN A 37 10.239 8.029 -16.568 1.00 53.42 N ATOM 0 H GLN A 37 10.254 2.779 -17.186 1.00 62.41 H new ATOM 0 HA GLN A 37 9.791 5.577 -17.804 1.00 44.42 H new ATOM 0 HB2 GLN A 37 10.732 3.969 -15.583 1.00 14.22 H new ATOM 0 HB3 GLN A 37 11.915 5.211 -15.943 1.00 14.22 H new ATOM 0 HG2 GLN A 37 8.994 5.933 -15.713 1.00 42.21 H new ATOM 0 HG3 GLN A 37 9.956 5.700 -14.267 1.00 42.21 H new ATOM 0 HE21 GLN A 37 9.663 7.577 -17.279 1.00 53.42 H new ATOM 0 HE22 GLN A 37 10.575 8.981 -16.713 1.00 53.42 H new ATOM 535 N TRP A 38 11.604 5.651 -19.557 1.00 2.14 N ATOM 536 CA TRP A 38 12.722 5.945 -20.447 1.00 34.11 C ATOM 537 C TRP A 38 13.368 7.278 -20.087 1.00 63.12 C ATOM 538 O TRP A 38 13.041 8.313 -20.666 1.00 3.34 O ATOM 539 CB TRP A 38 12.249 5.969 -21.901 1.00 53.33 C ATOM 540 CG TRP A 38 12.621 4.736 -22.668 1.00 14.04 C ATOM 541 CD1 TRP A 38 12.825 3.485 -22.159 1.00 14.34 C ATOM 542 CD2 TRP A 38 12.834 4.636 -24.080 1.00 3.52 C ATOM 543 NE1 TRP A 38 13.152 2.614 -23.169 1.00 44.14 N ATOM 544 CE2 TRP A 38 13.164 3.295 -24.358 1.00 2.53 C ATOM 545 CE3 TRP A 38 12.777 5.549 -25.137 1.00 22.23 C ATOM 546 CZ2 TRP A 38 13.436 2.848 -25.648 1.00 3.22 C ATOM 547 CZ3 TRP A 38 13.048 5.103 -26.417 1.00 12.35 C ATOM 548 CH2 TRP A 38 13.373 3.763 -26.663 1.00 63.05 C ATOM 0 H TRP A 38 10.691 5.922 -19.922 1.00 2.14 H new ATOM 0 HA TRP A 38 13.467 5.158 -20.327 1.00 34.11 H new ATOM 0 HB2 TRP A 38 11.166 6.087 -21.921 1.00 53.33 H new ATOM 0 HB3 TRP A 38 12.674 6.840 -22.399 1.00 53.33 H new ATOM 0 HD1 TRP A 38 12.741 3.220 -21.115 1.00 14.34 H new ATOM 0 HE1 TRP A 38 13.353 1.621 -23.053 1.00 44.14 H new ATOM 0 HE3 TRP A 38 12.526 6.584 -24.957 1.00 22.23 H new ATOM 0 HZ2 TRP A 38 13.688 1.816 -25.841 1.00 3.22 H new ATOM 0 HZ3 TRP A 38 13.008 5.800 -27.241 1.00 12.35 H new ATOM 0 HH2 TRP A 38 13.578 3.446 -27.675 1.00 63.05 H new ATOM 559 N GLY A 39 14.289 7.245 -19.128 1.00 73.11 N ATOM 560 CA GLY A 39 14.967 8.458 -18.708 1.00 74.55 C ATOM 561 C GLY A 39 14.775 8.748 -17.233 1.00 70.11 C ATOM 562 O GLY A 39 13.986 9.616 -16.861 1.00 64.04 O ATOM 0 H GLY A 39 14.578 6.400 -18.635 1.00 73.11 H new ATOM 0 HA2 GLY A 39 16.032 8.368 -18.922 1.00 74.55 H new ATOM 0 HA3 GLY A 39 14.595 9.300 -19.292 1.00 74.55 H new ATOM 566 N GLY A 40 15.498 8.018 -16.389 1.00 32.11 N ATOM 567 CA GLY A 40 15.388 8.215 -14.955 1.00 54.44 C ATOM 568 C GLY A 40 16.733 8.171 -14.259 1.00 2.10 C ATOM 569 O GLY A 40 17.776 8.319 -14.896 1.00 62.14 O ATOM 0 H GLY A 40 16.158 7.294 -16.673 1.00 32.11 H new ATOM 0 HA2 GLY A 40 14.912 9.176 -14.759 1.00 54.44 H new ATOM 0 HA3 GLY A 40 14.739 7.446 -14.535 1.00 54.44 H new ATOM 573 N LYS A 41 16.712 7.969 -12.946 1.00 33.40 N ATOM 574 CA LYS A 41 17.939 7.906 -12.161 1.00 33.42 C ATOM 575 C LYS A 41 18.908 6.884 -12.747 1.00 33.32 C ATOM 576 O LYS A 41 20.107 7.141 -12.853 1.00 1.12 O ATOM 577 CB LYS A 41 17.621 7.548 -10.707 1.00 74.53 C ATOM 578 CG LYS A 41 18.374 8.392 -9.694 1.00 60.40 C ATOM 579 CD LYS A 41 18.161 7.885 -8.277 1.00 71.15 C ATOM 580 CE LYS A 41 16.931 8.513 -7.640 1.00 3.32 C ATOM 581 NZ LYS A 41 17.123 8.751 -6.182 1.00 75.22 N ATOM 0 H LYS A 41 15.858 7.846 -12.403 1.00 33.40 H new ATOM 0 HA LYS A 41 18.411 8.888 -12.192 1.00 33.42 H new ATOM 0 HB2 LYS A 41 16.550 7.663 -10.539 1.00 74.53 H new ATOM 0 HB3 LYS A 41 17.858 6.497 -10.540 1.00 74.53 H new ATOM 0 HG2 LYS A 41 19.438 8.381 -9.929 1.00 60.40 H new ATOM 0 HG3 LYS A 41 18.043 9.428 -9.764 1.00 60.40 H new ATOM 0 HD2 LYS A 41 18.052 6.801 -8.290 1.00 71.15 H new ATOM 0 HD3 LYS A 41 19.040 8.110 -7.673 1.00 71.15 H new ATOM 0 HE2 LYS A 41 16.707 9.457 -8.136 1.00 3.32 H new ATOM 0 HE3 LYS A 41 16.070 7.861 -7.792 1.00 3.32 H new ATOM 0 HZ1 LYS A 41 16.263 9.180 -5.784 1.00 75.22 H new ATOM 0 HZ2 LYS A 41 17.312 7.847 -5.705 1.00 75.22 H new ATOM 0 HZ3 LYS A 41 17.928 9.393 -6.038 1.00 75.22 H new ATOM 595 N TYR A 42 18.380 5.725 -13.127 1.00 3.41 N ATOM 596 CA TYR A 42 19.199 4.665 -13.701 1.00 62.44 C ATOM 597 C TYR A 42 18.963 4.547 -15.204 1.00 54.00 C ATOM 598 O TYR A 42 19.124 3.476 -15.788 1.00 5.23 O ATOM 599 CB TYR A 42 18.894 3.330 -13.020 1.00 34.22 C ATOM 600 CG TYR A 42 19.429 3.234 -11.609 1.00 20.10 C ATOM 601 CD1 TYR A 42 20.721 2.786 -11.365 1.00 24.34 C ATOM 602 CD2 TYR A 42 18.643 3.590 -10.521 1.00 14.25 C ATOM 603 CE1 TYR A 42 21.215 2.696 -10.077 1.00 72.43 C ATOM 604 CE2 TYR A 42 19.128 3.505 -9.230 1.00 60.21 C ATOM 605 CZ TYR A 42 20.414 3.057 -9.014 1.00 25.24 C ATOM 606 OH TYR A 42 20.901 2.969 -7.729 1.00 63.15 O ATOM 0 H TYR A 42 17.389 5.497 -13.048 1.00 3.41 H new ATOM 0 HA TYR A 42 20.246 4.920 -13.534 1.00 62.44 H new ATOM 0 HB2 TYR A 42 17.815 3.179 -13.001 1.00 34.22 H new ATOM 0 HB3 TYR A 42 19.318 2.522 -13.616 1.00 34.22 H new ATOM 0 HD1 TYR A 42 21.350 2.503 -12.196 1.00 24.34 H new ATOM 0 HD2 TYR A 42 17.635 3.940 -10.687 1.00 14.25 H new ATOM 0 HE1 TYR A 42 22.222 2.345 -9.904 1.00 72.43 H new ATOM 0 HE2 TYR A 42 18.504 3.788 -8.395 1.00 60.21 H new ATOM 0 HH TYR A 42 20.211 3.262 -7.097 1.00 63.15 H new ATOM 616 N GLY A 43 18.578 5.658 -15.825 1.00 3.31 N ATOM 617 CA GLY A 43 18.326 5.660 -17.254 1.00 12.20 C ATOM 618 C GLY A 43 16.983 5.050 -17.606 1.00 44.53 C ATOM 619 O GLY A 43 15.969 5.366 -16.986 1.00 22.44 O ATOM 0 H GLY A 43 18.436 6.557 -15.364 1.00 3.31 H new ATOM 0 HA2 GLY A 43 18.365 6.684 -17.625 1.00 12.20 H new ATOM 0 HA3 GLY A 43 19.117 5.107 -17.760 1.00 12.20 H new ATOM 623 N ASN A 44 16.977 4.176 -18.607 1.00 71.11 N ATOM 624 CA ASN A 44 15.748 3.522 -19.043 1.00 1.22 C ATOM 625 C ASN A 44 15.494 2.251 -18.239 1.00 61.51 C ATOM 626 O ASN A 44 16.263 1.293 -18.314 1.00 24.14 O ATOM 627 CB ASN A 44 15.824 3.190 -20.534 1.00 70.33 C ATOM 628 CG ASN A 44 17.051 2.369 -20.882 1.00 34.50 C ATOM 629 OD1 ASN A 44 17.026 1.139 -20.821 1.00 0.22 O ATOM 630 ND2 ASN A 44 18.132 3.047 -21.249 1.00 73.41 N ATOM 0 H ASN A 44 17.809 3.904 -19.131 1.00 71.11 H new ATOM 0 HA ASN A 44 14.919 4.210 -18.873 1.00 1.22 H new ATOM 0 HB2 ASN A 44 14.929 2.642 -20.828 1.00 70.33 H new ATOM 0 HB3 ASN A 44 15.834 4.116 -21.109 1.00 70.33 H new ATOM 0 HD21 ASN A 44 18.987 2.549 -21.495 1.00 73.41 H new ATOM 0 HD22 ASN A 44 18.107 4.066 -21.285 1.00 73.41 H new ATOM 637 N ALA A 45 14.409 2.249 -17.472 1.00 1.04 N ATOM 638 CA ALA A 45 14.052 1.095 -16.656 1.00 72.22 C ATOM 639 C ALA A 45 12.550 1.051 -16.395 1.00 1.24 C ATOM 640 O ALA A 45 11.880 2.084 -16.392 1.00 13.20 O ATOM 641 CB ALA A 45 14.818 1.120 -15.342 1.00 20.50 C ATOM 0 H ALA A 45 13.762 3.034 -17.399 1.00 1.04 H new ATOM 0 HA ALA A 45 14.325 0.194 -17.205 1.00 72.22 H new ATOM 0 HB1 ALA A 45 14.541 0.252 -14.743 1.00 20.50 H new ATOM 0 HB2 ALA A 45 15.889 1.095 -15.544 1.00 20.50 H new ATOM 0 HB3 ALA A 45 14.574 2.031 -14.796 1.00 20.50 H new ATOM 647 N CYS A 46 12.027 -0.150 -16.175 1.00 61.54 N ATOM 648 CA CYS A 46 10.604 -0.330 -15.914 1.00 1.52 C ATOM 649 C CYS A 46 10.229 0.224 -14.542 1.00 43.21 C ATOM 650 O CYS A 46 10.713 -0.253 -13.516 1.00 3.14 O ATOM 651 CB CYS A 46 10.231 -1.811 -15.997 1.00 64.02 C ATOM 652 SG CYS A 46 9.944 -2.411 -17.693 1.00 20.20 S ATOM 0 H CYS A 46 12.568 -1.015 -16.172 1.00 61.54 H new ATOM 0 HA CYS A 46 10.049 0.220 -16.674 1.00 1.52 H new ATOM 0 HB2 CYS A 46 11.028 -2.401 -15.544 1.00 64.02 H new ATOM 0 HB3 CYS A 46 9.332 -1.982 -15.405 1.00 64.02 H new ATOM 657 N TRP A 47 9.365 1.232 -14.534 1.00 0.44 N ATOM 658 CA TRP A 47 8.925 1.851 -13.288 1.00 51.13 C ATOM 659 C TRP A 47 7.637 1.208 -12.787 1.00 13.14 C ATOM 660 O TRP A 47 6.818 0.736 -13.576 1.00 40.43 O ATOM 661 CB TRP A 47 8.716 3.353 -13.487 1.00 51.21 C ATOM 662 CG TRP A 47 8.171 4.043 -12.273 1.00 74.23 C ATOM 663 CD1 TRP A 47 6.861 4.326 -12.011 1.00 13.22 C ATOM 664 CD2 TRP A 47 8.921 4.537 -11.159 1.00 3.41 C ATOM 665 NE1 TRP A 47 6.752 4.967 -10.800 1.00 52.22 N ATOM 666 CE2 TRP A 47 8.002 5.108 -10.257 1.00 75.13 C ATOM 667 CE3 TRP A 47 10.280 4.552 -10.834 1.00 23.11 C ATOM 668 CZ2 TRP A 47 8.399 5.687 -9.055 1.00 64.51 C ATOM 669 CZ3 TRP A 47 10.674 5.127 -9.641 1.00 34.15 C ATOM 670 CH2 TRP A 47 9.736 5.687 -8.762 1.00 42.04 C ATOM 0 H TRP A 47 8.955 1.638 -15.375 1.00 0.44 H new ATOM 0 HA TRP A 47 9.702 1.696 -12.539 1.00 51.13 H new ATOM 0 HB2 TRP A 47 9.666 3.812 -13.761 1.00 51.21 H new ATOM 0 HB3 TRP A 47 8.034 3.510 -14.322 1.00 51.21 H new ATOM 0 HD1 TRP A 47 6.033 4.082 -12.660 1.00 13.22 H new ATOM 0 HE1 TRP A 47 5.882 5.286 -10.375 1.00 52.22 H new ATOM 0 HE3 TRP A 47 11.010 4.122 -11.504 1.00 23.11 H new ATOM 0 HZ2 TRP A 47 7.678 6.121 -8.378 1.00 64.51 H new ATOM 0 HZ3 TRP A 47 11.722 5.145 -9.381 1.00 34.15 H new ATOM 0 HH2 TRP A 47 10.075 6.127 -7.836 1.00 42.04 H new ATOM 681 N CYS A 48 7.462 1.192 -11.469 1.00 43.34 N ATOM 682 CA CYS A 48 6.273 0.607 -10.862 1.00 24.12 C ATOM 683 C CYS A 48 5.590 1.605 -9.931 1.00 43.13 C ATOM 684 O CYS A 48 6.253 2.396 -9.259 1.00 32.43 O ATOM 685 CB CYS A 48 6.642 -0.660 -10.087 1.00 1.32 C ATOM 686 SG CYS A 48 5.906 -2.184 -10.760 1.00 13.03 S ATOM 0 H CYS A 48 8.129 1.578 -10.801 1.00 43.34 H new ATOM 0 HA CYS A 48 5.578 0.348 -11.660 1.00 24.12 H new ATOM 0 HB2 CYS A 48 7.727 -0.766 -10.080 1.00 1.32 H new ATOM 0 HB3 CYS A 48 6.326 -0.544 -9.050 1.00 1.32 H new ATOM 691 N ILE A 49 4.263 1.562 -9.899 1.00 33.05 N ATOM 692 CA ILE A 49 3.490 2.461 -9.050 1.00 65.00 C ATOM 693 C ILE A 49 2.641 1.681 -8.053 1.00 33.04 C ATOM 694 O ILE A 49 1.868 0.801 -8.433 1.00 25.44 O ATOM 695 CB ILE A 49 2.573 3.374 -9.885 1.00 44.01 C ATOM 696 CG1 ILE A 49 3.406 4.245 -10.828 1.00 61.22 C ATOM 697 CG2 ILE A 49 1.717 4.240 -8.974 1.00 15.12 C ATOM 698 CD1 ILE A 49 2.572 5.072 -11.781 1.00 70.23 C ATOM 0 H ILE A 49 3.700 0.915 -10.451 1.00 33.05 H new ATOM 0 HA ILE A 49 4.207 3.078 -8.508 1.00 65.00 H new ATOM 0 HB ILE A 49 1.912 2.749 -10.486 1.00 44.01 H new ATOM 0 HG12 ILE A 49 4.033 4.911 -10.235 1.00 61.22 H new ATOM 0 HG13 ILE A 49 4.075 3.606 -11.404 1.00 61.22 H new ATOM 0 HG21 ILE A 49 1.074 4.880 -9.579 1.00 15.12 H new ATOM 0 HG22 ILE A 49 1.101 3.603 -8.340 1.00 15.12 H new ATOM 0 HG23 ILE A 49 2.361 4.859 -8.350 1.00 15.12 H new ATOM 0 HD11 ILE A 49 3.228 5.664 -12.419 1.00 70.23 H new ATOM 0 HD12 ILE A 49 1.964 4.412 -12.399 1.00 70.23 H new ATOM 0 HD13 ILE A 49 1.922 5.737 -11.212 1.00 70.23 H new ATOM 710 N LYS A 50 2.787 2.011 -6.774 1.00 11.11 N ATOM 711 CA LYS A 50 2.031 1.345 -5.720 1.00 21.30 C ATOM 712 C LYS A 50 2.417 -0.128 -5.621 1.00 42.35 C ATOM 713 O LYS A 50 1.734 -0.997 -6.164 1.00 53.12 O ATOM 714 CB LYS A 50 0.529 1.473 -5.982 1.00 71.44 C ATOM 715 CG LYS A 50 -0.169 2.455 -5.058 1.00 5.40 C ATOM 716 CD LYS A 50 -0.506 3.752 -5.775 1.00 75.20 C ATOM 717 CE LYS A 50 -0.179 4.965 -4.918 1.00 24.31 C ATOM 718 NZ LYS A 50 0.124 6.164 -5.747 1.00 12.32 N ATOM 0 H LYS A 50 3.423 2.736 -6.442 1.00 11.11 H new ATOM 0 HA LYS A 50 2.271 1.830 -4.774 1.00 21.30 H new ATOM 0 HB2 LYS A 50 0.374 1.786 -7.015 1.00 71.44 H new ATOM 0 HB3 LYS A 50 0.065 0.493 -5.873 1.00 71.44 H new ATOM 0 HG2 LYS A 50 -1.083 2.005 -4.670 1.00 5.40 H new ATOM 0 HG3 LYS A 50 0.470 2.667 -4.201 1.00 5.40 H new ATOM 0 HD2 LYS A 50 0.050 3.806 -6.711 1.00 75.20 H new ATOM 0 HD3 LYS A 50 -1.565 3.762 -6.032 1.00 75.20 H new ATOM 0 HE2 LYS A 50 -1.020 5.182 -4.260 1.00 24.31 H new ATOM 0 HE3 LYS A 50 0.675 4.739 -4.280 1.00 24.31 H new ATOM 0 HZ1 LYS A 50 0.342 6.969 -5.126 1.00 12.32 H new ATOM 0 HZ2 LYS A 50 0.942 5.966 -6.357 1.00 12.32 H new ATOM 0 HZ3 LYS A 50 -0.700 6.395 -6.337 1.00 12.32 H new ATOM 732 N LEU A 51 3.515 -0.401 -4.925 1.00 72.40 N ATOM 733 CA LEU A 51 3.991 -1.770 -4.754 1.00 11.32 C ATOM 734 C LEU A 51 4.033 -2.151 -3.278 1.00 11.05 C ATOM 735 O LEU A 51 4.468 -1.378 -2.424 1.00 20.14 O ATOM 736 CB LEU A 51 5.381 -1.928 -5.373 1.00 33.21 C ATOM 737 CG LEU A 51 5.753 -3.337 -5.836 1.00 34.21 C ATOM 738 CD1 LEU A 51 4.837 -3.788 -6.963 1.00 50.35 C ATOM 739 CD2 LEU A 51 7.208 -3.387 -6.276 1.00 64.12 C ATOM 0 H LEU A 51 4.092 0.306 -4.470 1.00 72.40 H new ATOM 0 HA LEU A 51 3.295 -2.437 -5.263 1.00 11.32 H new ATOM 0 HB2 LEU A 51 5.455 -1.255 -6.227 1.00 33.21 H new ATOM 0 HB3 LEU A 51 6.121 -1.600 -4.643 1.00 33.21 H new ATOM 0 HG LEU A 51 5.625 -4.020 -4.996 1.00 34.21 H new ATOM 0 HD11 LEU A 51 5.117 -4.793 -7.279 1.00 50.35 H new ATOM 0 HD12 LEU A 51 3.805 -3.792 -6.613 1.00 50.35 H new ATOM 0 HD13 LEU A 51 4.932 -3.103 -7.805 1.00 50.35 H new ATOM 0 HD21 LEU A 51 7.455 -4.397 -6.602 1.00 64.12 H new ATOM 0 HD22 LEU A 51 7.363 -2.691 -7.101 1.00 64.12 H new ATOM 0 HD23 LEU A 51 7.850 -3.108 -5.441 1.00 64.12 H new ATOM 751 N PRO A 52 3.572 -3.372 -2.968 1.00 60.01 N ATOM 752 CA PRO A 52 3.549 -3.885 -1.595 1.00 51.11 C ATOM 753 C PRO A 52 4.948 -4.170 -1.059 1.00 52.11 C ATOM 754 O PRO A 52 5.869 -4.459 -1.823 1.00 74.13 O ATOM 755 CB PRO A 52 2.747 -5.184 -1.715 1.00 4.51 C ATOM 756 CG PRO A 52 2.929 -5.612 -3.130 1.00 44.32 C ATOM 757 CD PRO A 52 3.038 -4.346 -3.935 1.00 25.20 C ATOM 0 HA PRO A 52 3.119 -3.165 -0.898 1.00 51.11 H new ATOM 0 HB2 PRO A 52 3.114 -5.941 -1.022 1.00 4.51 H new ATOM 0 HB3 PRO A 52 1.694 -5.022 -1.483 1.00 4.51 H new ATOM 0 HG2 PRO A 52 3.825 -6.223 -3.241 1.00 44.32 H new ATOM 0 HG3 PRO A 52 2.087 -6.217 -3.466 1.00 44.32 H new ATOM 0 HD2 PRO A 52 3.703 -4.469 -4.790 1.00 25.20 H new ATOM 0 HD3 PRO A 52 2.070 -4.034 -4.327 1.00 25.20 H new ATOM 765 N ASP A 53 5.100 -4.087 0.258 1.00 52.30 N ATOM 766 CA ASP A 53 6.387 -4.337 0.896 1.00 32.44 C ATOM 767 C ASP A 53 6.944 -5.696 0.481 1.00 11.53 C ATOM 768 O ASP A 53 8.133 -5.828 0.192 1.00 2.35 O ATOM 769 CB ASP A 53 6.246 -4.273 2.418 1.00 24.31 C ATOM 770 CG ASP A 53 7.029 -3.125 3.024 1.00 41.12 C ATOM 771 OD1 ASP A 53 8.080 -2.760 2.458 1.00 65.24 O ATOM 772 OD2 ASP A 53 6.591 -2.591 4.065 1.00 72.43 O ATOM 0 H ASP A 53 4.348 -3.849 0.905 1.00 52.30 H new ATOM 0 HA ASP A 53 7.083 -3.564 0.570 1.00 32.44 H new ATOM 0 HB2 ASP A 53 5.193 -4.168 2.678 1.00 24.31 H new ATOM 0 HB3 ASP A 53 6.589 -5.212 2.852 1.00 24.31 H new ATOM 777 N SER A 54 6.077 -6.702 0.455 1.00 34.40 N ATOM 778 CA SER A 54 6.483 -8.052 0.080 1.00 11.32 C ATOM 779 C SER A 54 7.259 -8.040 -1.233 1.00 70.23 C ATOM 780 O SER A 54 8.138 -8.873 -1.456 1.00 31.02 O ATOM 781 CB SER A 54 5.258 -8.959 -0.046 1.00 71.41 C ATOM 782 OG SER A 54 5.450 -10.176 0.654 1.00 23.15 O ATOM 0 H SER A 54 5.089 -6.609 0.689 1.00 34.40 H new ATOM 0 HA SER A 54 7.134 -8.440 0.863 1.00 11.32 H new ATOM 0 HB2 SER A 54 4.380 -8.446 0.345 1.00 71.41 H new ATOM 0 HB3 SER A 54 5.063 -9.168 -1.098 1.00 71.41 H new ATOM 0 HG SER A 54 4.652 -10.737 0.559 1.00 23.15 H new ATOM 788 N VAL A 55 6.927 -7.090 -2.101 1.00 42.41 N ATOM 789 CA VAL A 55 7.593 -6.967 -3.393 1.00 34.43 C ATOM 790 C VAL A 55 8.491 -5.737 -3.434 1.00 4.45 C ATOM 791 O VAL A 55 8.079 -4.649 -3.836 1.00 55.13 O ATOM 792 CB VAL A 55 6.573 -6.883 -4.544 1.00 33.22 C ATOM 793 CG1 VAL A 55 7.284 -6.877 -5.888 1.00 60.43 C ATOM 794 CG2 VAL A 55 5.581 -8.033 -4.461 1.00 74.41 C ATOM 0 H VAL A 55 6.201 -6.394 -1.933 1.00 42.41 H new ATOM 0 HA VAL A 55 8.202 -7.862 -3.521 1.00 34.43 H new ATOM 0 HB VAL A 55 6.020 -5.949 -4.449 1.00 33.22 H new ATOM 0 HG11 VAL A 55 6.547 -6.817 -6.689 1.00 60.43 H new ATOM 0 HG12 VAL A 55 7.951 -6.016 -5.943 1.00 60.43 H new ATOM 0 HG13 VAL A 55 7.865 -7.793 -5.997 1.00 60.43 H new ATOM 0 HG21 VAL A 55 4.868 -7.958 -5.282 1.00 74.41 H new ATOM 0 HG22 VAL A 55 6.116 -8.980 -4.530 1.00 74.41 H new ATOM 0 HG23 VAL A 55 5.048 -7.986 -3.511 1.00 74.41 H new ATOM 804 N PRO A 56 9.751 -5.910 -3.007 1.00 43.43 N ATOM 805 CA PRO A 56 10.736 -4.824 -2.986 1.00 40.13 C ATOM 806 C PRO A 56 11.164 -4.402 -4.388 1.00 22.42 C ATOM 807 O PRO A 56 10.802 -5.041 -5.376 1.00 74.50 O ATOM 808 CB PRO A 56 11.918 -5.431 -2.226 1.00 73.32 C ATOM 809 CG PRO A 56 11.787 -6.901 -2.435 1.00 45.42 C ATOM 810 CD PRO A 56 10.312 -7.179 -2.513 1.00 52.44 C ATOM 0 HA PRO A 56 10.336 -3.920 -2.527 1.00 40.13 H new ATOM 0 HB2 PRO A 56 12.868 -5.060 -2.610 1.00 73.32 H new ATOM 0 HB3 PRO A 56 11.880 -5.177 -1.167 1.00 73.32 H new ATOM 0 HG2 PRO A 56 12.291 -7.211 -3.350 1.00 45.42 H new ATOM 0 HG3 PRO A 56 12.245 -7.454 -1.615 1.00 45.42 H new ATOM 0 HD2 PRO A 56 10.094 -8.005 -3.190 1.00 52.44 H new ATOM 0 HD3 PRO A 56 9.902 -7.448 -1.540 1.00 52.44 H new ATOM 818 N ILE A 57 11.937 -3.324 -4.466 1.00 60.53 N ATOM 819 CA ILE A 57 12.415 -2.820 -5.747 1.00 43.33 C ATOM 820 C ILE A 57 13.937 -2.878 -5.828 1.00 20.23 C ATOM 821 O ILE A 57 14.597 -3.388 -4.923 1.00 24.35 O ATOM 822 CB ILE A 57 11.955 -1.370 -5.988 1.00 42.23 C ATOM 823 CG1 ILE A 57 12.009 -0.571 -4.684 1.00 73.23 C ATOM 824 CG2 ILE A 57 10.550 -1.350 -6.571 1.00 32.14 C ATOM 825 CD1 ILE A 57 10.814 -0.801 -3.785 1.00 60.15 C ATOM 0 H ILE A 57 12.245 -2.783 -3.658 1.00 60.53 H new ATOM 0 HA ILE A 57 11.988 -3.462 -6.518 1.00 43.33 H new ATOM 0 HB ILE A 57 12.631 -0.904 -6.705 1.00 42.23 H new ATOM 0 HG12 ILE A 57 12.917 -0.836 -4.142 1.00 73.23 H new ATOM 0 HG13 ILE A 57 12.077 0.491 -4.920 1.00 73.23 H new ATOM 0 HG21 ILE A 57 10.239 -0.318 -6.736 1.00 32.14 H new ATOM 0 HG22 ILE A 57 10.542 -1.887 -7.519 1.00 32.14 H new ATOM 0 HG23 ILE A 57 9.861 -1.830 -5.876 1.00 32.14 H new ATOM 0 HD11 ILE A 57 10.919 -0.203 -2.880 1.00 60.15 H new ATOM 0 HD12 ILE A 57 9.903 -0.509 -4.308 1.00 60.15 H new ATOM 0 HD13 ILE A 57 10.757 -1.856 -3.518 1.00 60.15 H new ATOM 837 N ARG A 58 14.487 -2.351 -6.917 1.00 22.15 N ATOM 838 CA ARG A 58 15.932 -2.343 -7.115 1.00 54.31 C ATOM 839 C ARG A 58 16.624 -1.519 -6.033 1.00 42.15 C ATOM 840 O ARG A 58 16.176 -0.425 -5.689 1.00 64.10 O ATOM 841 CB ARG A 58 16.275 -1.782 -8.496 1.00 54.14 C ATOM 842 CG ARG A 58 17.322 -2.594 -9.240 1.00 41.14 C ATOM 843 CD ARG A 58 18.729 -2.107 -8.929 1.00 72.12 C ATOM 844 NE ARG A 58 19.743 -2.854 -9.669 1.00 54.21 N ATOM 845 CZ ARG A 58 21.044 -2.779 -9.413 1.00 12.44 C ATOM 846 NH1 ARG A 58 21.487 -1.995 -8.440 1.00 11.44 N ATOM 847 NH2 ARG A 58 21.905 -3.489 -10.130 1.00 32.20 N ATOM 0 H ARG A 58 13.955 -1.924 -7.675 1.00 22.15 H new ATOM 0 HA ARG A 58 16.289 -3.371 -7.049 1.00 54.31 H new ATOM 0 HB2 ARG A 58 15.367 -1.738 -9.097 1.00 54.14 H new ATOM 0 HB3 ARG A 58 16.633 -0.758 -8.384 1.00 54.14 H new ATOM 0 HG2 ARG A 58 17.231 -3.645 -8.966 1.00 41.14 H new ATOM 0 HG3 ARG A 58 17.141 -2.527 -10.313 1.00 41.14 H new ATOM 0 HD2 ARG A 58 18.808 -1.048 -9.174 1.00 72.12 H new ATOM 0 HD3 ARG A 58 18.917 -2.202 -7.860 1.00 72.12 H new ATOM 0 HE ARG A 58 19.435 -3.467 -10.424 1.00 54.21 H new ATOM 0 HH11 ARG A 58 20.828 -1.448 -7.886 1.00 11.44 H new ATOM 0 HH12 ARG A 58 22.487 -1.939 -8.245 1.00 11.44 H new ATOM 0 HH21 ARG A 58 21.568 -4.094 -10.879 1.00 32.20 H new ATOM 0 HH22 ARG A 58 22.904 -3.430 -9.932 1.00 32.20 H new ATOM 861 N VAL A 59 17.719 -2.052 -5.501 1.00 22.21 N ATOM 862 CA VAL A 59 18.474 -1.367 -4.459 1.00 3.31 C ATOM 863 C VAL A 59 19.846 -0.937 -4.967 1.00 22.44 C ATOM 864 O VAL A 59 20.372 -1.476 -5.941 1.00 55.02 O ATOM 865 CB VAL A 59 18.655 -2.260 -3.217 1.00 0.30 C ATOM 866 CG1 VAL A 59 17.397 -2.246 -2.362 1.00 22.12 C ATOM 867 CG2 VAL A 59 19.014 -3.679 -3.630 1.00 32.23 C ATOM 0 H VAL A 59 18.103 -2.956 -5.775 1.00 22.21 H new ATOM 0 HA VAL A 59 17.899 -0.484 -4.181 1.00 3.31 H new ATOM 0 HB VAL A 59 19.475 -1.862 -2.620 1.00 0.30 H new ATOM 0 HG11 VAL A 59 17.543 -2.882 -1.489 1.00 22.12 H new ATOM 0 HG12 VAL A 59 17.189 -1.226 -2.037 1.00 22.12 H new ATOM 0 HG13 VAL A 59 16.556 -2.619 -2.946 1.00 22.12 H new ATOM 0 HG21 VAL A 59 19.138 -4.296 -2.740 1.00 32.23 H new ATOM 0 HG22 VAL A 59 18.217 -4.091 -4.249 1.00 32.23 H new ATOM 0 HG23 VAL A 59 19.945 -3.668 -4.197 1.00 32.23 H new ATOM 877 N PRO A 60 20.443 0.056 -4.291 1.00 52.11 N ATOM 878 CA PRO A 60 21.763 0.580 -4.655 1.00 72.40 C ATOM 879 C PRO A 60 22.881 -0.417 -4.370 1.00 33.43 C ATOM 880 O PRO A 60 23.294 -0.590 -3.224 1.00 30.40 O ATOM 881 CB PRO A 60 21.911 1.817 -3.767 1.00 14.43 C ATOM 882 CG PRO A 60 21.031 1.550 -2.594 1.00 60.35 C ATOM 883 CD PRO A 60 19.875 0.744 -3.120 1.00 11.43 C ATOM 0 HA PRO A 60 21.837 0.793 -5.721 1.00 72.40 H new ATOM 0 HB2 PRO A 60 22.947 1.962 -3.460 1.00 14.43 H new ATOM 0 HB3 PRO A 60 21.605 2.721 -4.294 1.00 14.43 H new ATOM 0 HG2 PRO A 60 21.568 1.003 -1.819 1.00 60.35 H new ATOM 0 HG3 PRO A 60 20.686 2.481 -2.145 1.00 60.35 H new ATOM 0 HD2 PRO A 60 19.508 0.036 -2.377 1.00 11.43 H new ATOM 0 HD3 PRO A 60 19.034 1.380 -3.397 1.00 11.43 H new ATOM 891 N GLY A 61 23.367 -1.071 -5.420 1.00 71.44 N ATOM 892 CA GLY A 61 24.433 -2.043 -5.261 1.00 40.12 C ATOM 893 C GLY A 61 24.743 -2.780 -6.549 1.00 31.11 C ATOM 894 O GLY A 61 24.350 -2.346 -7.632 1.00 44.30 O ATOM 0 H GLY A 61 23.042 -0.945 -6.378 1.00 71.44 H new ATOM 0 HA2 GLY A 61 25.332 -1.537 -4.910 1.00 40.12 H new ATOM 0 HA3 GLY A 61 24.152 -2.763 -4.493 1.00 40.12 H new ATOM 898 N LYS A 62 25.451 -3.898 -6.433 1.00 32.51 N ATOM 899 CA LYS A 62 25.814 -4.699 -7.596 1.00 44.54 C ATOM 900 C LYS A 62 24.754 -5.757 -7.882 1.00 54.43 C ATOM 901 O LYS A 62 23.919 -6.060 -7.029 1.00 63.41 O ATOM 902 CB LYS A 62 27.172 -5.369 -7.376 1.00 22.13 C ATOM 903 CG LYS A 62 28.200 -5.027 -8.440 1.00 51.44 C ATOM 904 CD LYS A 62 29.489 -5.806 -8.242 1.00 3.30 C ATOM 905 CE LYS A 62 30.594 -5.298 -9.156 1.00 74.25 C ATOM 906 NZ LYS A 62 31.710 -4.680 -8.388 1.00 54.03 N ATOM 0 H LYS A 62 25.785 -4.270 -5.544 1.00 32.51 H new ATOM 0 HA LYS A 62 25.879 -4.034 -8.457 1.00 44.54 H new ATOM 0 HB2 LYS A 62 27.559 -5.074 -6.401 1.00 22.13 H new ATOM 0 HB3 LYS A 62 27.034 -6.450 -7.350 1.00 22.13 H new ATOM 0 HG2 LYS A 62 27.790 -5.245 -9.426 1.00 51.44 H new ATOM 0 HG3 LYS A 62 28.412 -3.958 -8.412 1.00 51.44 H new ATOM 0 HD2 LYS A 62 29.809 -5.724 -7.203 1.00 3.30 H new ATOM 0 HD3 LYS A 62 29.310 -6.863 -8.438 1.00 3.30 H new ATOM 0 HE2 LYS A 62 30.979 -6.124 -9.754 1.00 74.25 H new ATOM 0 HE3 LYS A 62 30.182 -4.566 -9.851 1.00 74.25 H new ATOM 0 HZ1 LYS A 62 32.442 -4.347 -9.047 1.00 54.03 H new ATOM 0 HZ2 LYS A 62 31.348 -3.876 -7.837 1.00 54.03 H new ATOM 0 HZ3 LYS A 62 32.120 -5.385 -7.743 1.00 54.03 H new ATOM 920 N CYS A 63 24.792 -6.316 -9.087 1.00 52.31 N ATOM 921 CA CYS A 63 23.835 -7.341 -9.486 1.00 12.23 C ATOM 922 C CYS A 63 24.446 -8.734 -9.360 1.00 52.53 C ATOM 923 O CYS A 63 25.645 -8.917 -9.569 1.00 13.40 O ATOM 924 CB CYS A 63 23.371 -7.103 -10.924 1.00 74.20 C ATOM 925 SG CYS A 63 22.236 -8.379 -11.559 1.00 52.24 S ATOM 0 H CYS A 63 25.476 -6.076 -9.805 1.00 52.31 H new ATOM 0 HA CYS A 63 22.975 -7.279 -8.819 1.00 12.23 H new ATOM 0 HB2 CYS A 63 22.878 -6.133 -10.979 1.00 74.20 H new ATOM 0 HB3 CYS A 63 24.245 -7.054 -11.573 1.00 74.20 H new ATOM 930 N GLN A 64 23.612 -9.711 -9.018 1.00 42.35 N ATOM 931 CA GLN A 64 24.071 -11.086 -8.865 1.00 74.40 C ATOM 932 C GLN A 64 22.988 -12.072 -9.292 1.00 52.24 C ATOM 933 O GLN A 64 21.913 -11.673 -9.742 1.00 13.15 O ATOM 934 CB GLN A 64 24.475 -11.353 -7.414 1.00 41.50 C ATOM 935 CG GLN A 64 25.976 -11.484 -7.215 1.00 65.54 C ATOM 936 CD GLN A 64 26.444 -10.905 -5.895 1.00 34.55 C ATOM 937 OE1 GLN A 64 26.630 -11.631 -4.917 1.00 12.41 O ATOM 938 NE2 GLN A 64 26.636 -9.592 -5.858 1.00 72.15 N ATOM 0 H GLN A 64 22.616 -9.576 -8.842 1.00 42.35 H new ATOM 0 HA GLN A 64 24.940 -11.226 -9.509 1.00 74.40 H new ATOM 0 HB2 GLN A 64 24.103 -10.543 -6.787 1.00 41.50 H new ATOM 0 HB3 GLN A 64 23.990 -12.268 -7.073 1.00 41.50 H new ATOM 0 HG2 GLN A 64 26.254 -12.537 -7.264 1.00 65.54 H new ATOM 0 HG3 GLN A 64 26.492 -10.979 -8.032 1.00 65.54 H new ATOM 0 HE21 GLN A 64 26.470 -9.029 -6.692 1.00 72.15 H new ATOM 0 HE22 GLN A 64 26.950 -9.147 -4.996 1.00 72.15 H new TER 947 GLN A 64