USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 299 hydrogens (11 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 68 TYR OH : rot 180:sc= -0.185 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.0502 K(o=-0.24,f=2.3) USER MOD Single : A 45 SER OG : rot -30:sc= 0.648 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -60:sc= 0.126 USER MOD Single : A 56 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.055) USER MOD Single : A 57 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0.0806 (180deg=0.0766) USER MOD Single : A 64 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.61) USER MOD Single : A 66 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.047) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -3.23! K(o=-3.2!,f=-2.7) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0.499 (180deg=0.388) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 FUC O2 : rot 33:sc= 0.0315 USER MOD Single : A 91 FUC O3 : rot 30:sc= 0.00963 USER MOD Single : A 91 FUC O4 : rot 28:sc= 0.00749 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 45 -7.147 -21.679 -9.206 1.00 0.00 N ATOM 2 CA SER A 45 -7.693 -20.531 -8.426 1.00 0.00 C ATOM 3 C SER A 45 -6.698 -19.368 -8.431 1.00 0.00 C ATOM 4 O SER A 45 -5.569 -19.504 -8.000 1.00 0.00 O ATOM 5 CB SER A 45 -7.881 -21.069 -7.008 1.00 0.00 C ATOM 6 OG SER A 45 -6.745 -21.842 -6.644 1.00 0.00 O ATOM 0 HA SER A 45 -8.625 -20.153 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.013 -20.244 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.783 -21.679 -6.955 1.00 0.00 H new ATOM 0 HG SER A 45 -6.355 -22.249 -7.446 1.00 0.00 H new ATOM 14 N ASP A 46 -7.111 -18.221 -8.918 1.00 0.00 N ATOM 15 CA ASP A 46 -6.200 -17.029 -8.961 1.00 0.00 C ATOM 16 C ASP A 46 -4.878 -17.378 -9.656 1.00 0.00 C ATOM 17 O ASP A 46 -4.682 -18.490 -10.111 1.00 0.00 O ATOM 18 CB ASP A 46 -5.953 -16.651 -7.497 1.00 0.00 C ATOM 19 CG ASP A 46 -7.282 -16.281 -6.834 1.00 0.00 C ATOM 20 OD1 ASP A 46 -7.994 -15.465 -7.395 1.00 0.00 O ATOM 21 OD2 ASP A 46 -7.563 -16.818 -5.776 1.00 0.00 O ATOM 0 H ASP A 46 -8.046 -18.057 -9.290 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.641 -16.207 -9.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.490 -17.484 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.259 -15.812 -7.439 1.00 0.00 H new ATOM 26 N GLY A 47 -3.975 -16.434 -9.738 1.00 0.00 N ATOM 27 CA GLY A 47 -2.663 -16.701 -10.401 1.00 0.00 C ATOM 28 C GLY A 47 -2.004 -15.374 -10.781 1.00 0.00 C ATOM 29 O GLY A 47 -2.266 -14.348 -10.181 1.00 0.00 O ATOM 0 H GLY A 47 -4.090 -15.488 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.013 -17.263 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.811 -17.314 -11.290 1.00 0.00 H new ATOM 33 N ASP A 48 -1.150 -15.390 -11.772 1.00 0.00 N ATOM 34 CA ASP A 48 -0.466 -14.132 -12.200 1.00 0.00 C ATOM 35 C ASP A 48 -1.291 -13.422 -13.275 1.00 0.00 C ATOM 36 O ASP A 48 -2.183 -14.000 -13.868 1.00 0.00 O ATOM 37 CB ASP A 48 0.878 -14.587 -12.768 1.00 0.00 C ATOM 38 CG ASP A 48 1.726 -15.197 -11.650 1.00 0.00 C ATOM 39 OD1 ASP A 48 1.830 -14.574 -10.606 1.00 0.00 O ATOM 40 OD2 ASP A 48 2.257 -16.275 -11.858 1.00 0.00 O ATOM 0 H ASP A 48 -0.896 -16.222 -12.305 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.343 -13.427 -11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.721 -15.319 -13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.401 -13.741 -13.215 1.00 0.00 H new ATOM 45 N GLN A 49 -1.000 -12.171 -13.529 1.00 0.00 N ATOM 46 CA GLN A 49 -1.761 -11.413 -14.565 1.00 0.00 C ATOM 47 C GLN A 49 -0.955 -10.198 -15.036 1.00 0.00 C ATOM 48 O GLN A 49 -1.510 -9.201 -15.456 1.00 0.00 O ATOM 49 CB GLN A 49 -3.044 -10.965 -13.862 1.00 0.00 C ATOM 50 CG GLN A 49 -4.052 -10.469 -14.902 1.00 0.00 C ATOM 51 CD GLN A 49 -4.995 -11.610 -15.287 1.00 0.00 C ATOM 52 OE1 GLN A 49 -4.913 -12.140 -16.377 1.00 0.00 O ATOM 53 NE2 GLN A 49 -5.894 -12.014 -14.430 1.00 0.00 N ATOM 0 H GLN A 49 -0.265 -11.641 -13.061 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.967 -12.017 -15.449 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.469 -11.794 -13.295 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.822 -10.171 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.623 -9.632 -14.500 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.528 -10.103 -15.785 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.963 -11.569 -13.515 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.527 -12.775 -14.676 1.00 0.00 H new ATOM 62 N CYS A 50 0.350 -10.279 -14.967 1.00 0.00 N ATOM 63 CA CYS A 50 1.201 -9.134 -15.409 1.00 0.00 C ATOM 64 C CYS A 50 2.416 -9.647 -16.188 1.00 0.00 C ATOM 65 O CYS A 50 3.467 -9.035 -16.188 1.00 0.00 O ATOM 66 CB CYS A 50 1.644 -8.448 -14.117 1.00 0.00 C ATOM 67 SG CYS A 50 2.433 -6.869 -14.512 1.00 0.00 S ATOM 0 H CYS A 50 0.863 -11.091 -14.623 1.00 0.00 H new ATOM 0 HA CYS A 50 0.665 -8.452 -16.070 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.785 -8.285 -13.466 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.339 -9.088 -13.573 1.00 0.00 H new ATOM 72 N ALA A 51 2.276 -10.769 -16.850 1.00 0.00 N ATOM 73 CA ALA A 51 3.418 -11.332 -17.634 1.00 0.00 C ATOM 74 C ALA A 51 3.398 -10.823 -19.082 1.00 0.00 C ATOM 75 O ALA A 51 3.984 -11.428 -19.961 1.00 0.00 O ATOM 76 CB ALA A 51 3.209 -12.846 -17.598 1.00 0.00 C ATOM 0 H ALA A 51 1.418 -11.320 -16.881 1.00 0.00 H new ATOM 0 HA ALA A 51 4.380 -11.035 -17.217 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.008 -13.337 -18.153 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.221 -13.190 -16.564 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.249 -13.092 -18.051 1.00 0.00 H new ATOM 82 N SER A 52 2.733 -9.722 -19.340 1.00 0.00 N ATOM 83 CA SER A 52 2.681 -9.184 -20.734 1.00 0.00 C ATOM 84 C SER A 52 2.979 -7.681 -20.740 1.00 0.00 C ATOM 85 O SER A 52 2.559 -6.963 -21.627 1.00 0.00 O ATOM 86 CB SER A 52 1.253 -9.448 -21.205 1.00 0.00 C ATOM 87 OG SER A 52 0.339 -8.991 -20.217 1.00 0.00 O ATOM 0 H SER A 52 2.225 -9.174 -18.646 1.00 0.00 H new ATOM 0 HA SER A 52 3.420 -9.653 -21.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.070 -8.937 -22.150 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.109 -10.513 -21.385 1.00 0.00 H new ATOM 0 HG SER A 52 -0.579 -9.158 -20.518 1.00 0.00 H new ATOM 93 N SER A 53 3.703 -7.199 -19.756 1.00 0.00 N ATOM 94 CA SER A 53 4.039 -5.738 -19.693 1.00 0.00 C ATOM 95 C SER A 53 2.769 -4.875 -19.831 1.00 0.00 C ATOM 96 O SER A 53 2.681 -4.049 -20.720 1.00 0.00 O ATOM 97 CB SER A 53 4.991 -5.493 -20.867 1.00 0.00 C ATOM 98 OG SER A 53 5.534 -4.183 -20.766 1.00 0.00 O ATOM 0 H SER A 53 4.078 -7.758 -18.989 1.00 0.00 H new ATOM 0 HA SER A 53 4.492 -5.468 -18.739 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.792 -6.232 -20.861 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.459 -5.607 -21.811 1.00 0.00 H new ATOM 0 HG SER A 53 4.808 -3.525 -20.785 1.00 0.00 H new ATOM 104 N PRO A 54 1.817 -5.090 -18.948 1.00 0.00 N ATOM 105 CA PRO A 54 0.556 -4.309 -18.999 1.00 0.00 C ATOM 106 C PRO A 54 0.796 -2.870 -18.535 1.00 0.00 C ATOM 107 O PRO A 54 0.110 -1.953 -18.947 1.00 0.00 O ATOM 108 CB PRO A 54 -0.366 -5.044 -18.030 1.00 0.00 C ATOM 109 CG PRO A 54 0.551 -5.747 -17.081 1.00 0.00 C ATOM 110 CD PRO A 54 1.816 -6.057 -17.836 1.00 0.00 C ATOM 0 HA PRO A 54 0.140 -4.239 -20.004 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.021 -4.349 -17.504 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.008 -5.751 -18.555 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.763 -5.120 -16.215 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.091 -6.662 -16.708 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.696 -5.939 -17.204 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.821 -7.084 -18.201 1.00 0.00 H new ATOM 118 N CYS A 55 1.766 -2.669 -17.679 1.00 0.00 N ATOM 119 CA CYS A 55 2.058 -1.291 -17.179 1.00 0.00 C ATOM 120 C CYS A 55 3.324 -0.744 -17.847 1.00 0.00 C ATOM 121 O CYS A 55 4.023 -1.456 -18.544 1.00 0.00 O ATOM 122 CB CYS A 55 2.263 -1.455 -15.672 1.00 0.00 C ATOM 123 SG CYS A 55 0.717 -2.019 -14.917 1.00 0.00 S ATOM 0 H CYS A 55 2.369 -3.401 -17.304 1.00 0.00 H new ATOM 0 HA CYS A 55 1.257 -0.587 -17.404 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.060 -2.173 -15.478 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.573 -0.508 -15.230 1.00 0.00 H new ATOM 128 N GLN A 56 3.616 0.517 -17.646 1.00 0.00 N ATOM 129 CA GLN A 56 4.832 1.118 -18.276 1.00 0.00 C ATOM 130 C GLN A 56 5.299 2.347 -17.482 1.00 0.00 C ATOM 131 O GLN A 56 4.980 2.501 -16.319 1.00 0.00 O ATOM 132 CB GLN A 56 4.383 1.509 -19.691 1.00 0.00 C ATOM 133 CG GLN A 56 3.235 2.522 -19.617 1.00 0.00 C ATOM 134 CD GLN A 56 2.220 2.231 -20.727 1.00 0.00 C ATOM 135 OE1 GLN A 56 1.917 3.091 -21.529 1.00 0.00 O ATOM 136 NE2 GLN A 56 1.679 1.046 -20.805 1.00 0.00 N ATOM 0 H GLN A 56 3.065 1.156 -17.073 1.00 0.00 H new ATOM 0 HA GLN A 56 5.677 0.430 -18.293 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.221 1.936 -20.242 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.062 0.622 -20.237 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.750 2.466 -18.643 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.623 3.535 -19.722 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.934 0.324 -20.131 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.002 0.842 -21.540 1.00 0.00 H new ATOM 145 N ASN A 57 6.057 3.220 -18.105 1.00 0.00 N ATOM 146 CA ASN A 57 6.561 4.448 -17.405 1.00 0.00 C ATOM 147 C ASN A 57 7.292 4.077 -16.110 1.00 0.00 C ATOM 148 O ASN A 57 7.116 4.709 -15.086 1.00 0.00 O ATOM 149 CB ASN A 57 5.317 5.291 -17.102 1.00 0.00 C ATOM 150 CG ASN A 57 4.834 5.972 -18.384 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.601 6.174 -19.305 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.586 6.338 -18.483 1.00 0.00 N ATOM 0 H ASN A 57 6.351 3.134 -19.078 1.00 0.00 H new ATOM 0 HA ASN A 57 7.277 4.993 -18.020 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.528 4.659 -16.694 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.549 6.040 -16.345 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.254 6.794 -19.333 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.942 6.169 -17.710 1.00 0.00 H new ATOM 159 N GLY A 58 8.116 3.060 -16.154 1.00 0.00 N ATOM 160 CA GLY A 58 8.871 2.642 -14.934 1.00 0.00 C ATOM 161 C GLY A 58 7.894 2.259 -13.819 1.00 0.00 C ATOM 162 O GLY A 58 8.198 2.386 -12.648 1.00 0.00 O ATOM 0 H GLY A 58 8.299 2.499 -16.986 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.518 1.796 -15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.517 3.454 -14.600 1.00 0.00 H new ATOM 166 N GLY A 59 6.724 1.791 -14.177 1.00 0.00 N ATOM 167 CA GLY A 59 5.723 1.398 -13.142 1.00 0.00 C ATOM 168 C GLY A 59 6.088 0.024 -12.577 1.00 0.00 C ATOM 169 O GLY A 59 6.414 -0.890 -13.311 1.00 0.00 O ATOM 0 H GLY A 59 6.420 1.665 -15.142 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.701 2.138 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.724 1.370 -13.578 1.00 0.00 H new ATOM 173 N SER A 60 6.032 -0.127 -11.278 1.00 0.00 N ATOM 174 CA SER A 60 6.373 -1.442 -10.657 1.00 0.00 C ATOM 175 C SER A 60 5.119 -2.312 -10.550 1.00 0.00 C ATOM 176 O SER A 60 4.219 -2.023 -9.784 1.00 0.00 O ATOM 177 CB SER A 60 6.910 -1.098 -9.268 1.00 0.00 C ATOM 178 OG SER A 60 8.265 -0.683 -9.379 1.00 0.00 O ATOM 0 H SER A 60 5.764 0.605 -10.620 1.00 0.00 H new ATOM 0 HA SER A 60 7.100 -2.002 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.310 -0.306 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.836 -1.965 -8.611 1.00 0.00 H new ATOM 183 N CYS A 61 5.054 -3.372 -11.316 1.00 0.00 N ATOM 184 CA CYS A 61 3.858 -4.264 -11.270 1.00 0.00 C ATOM 185 C CYS A 61 4.049 -5.363 -10.222 1.00 0.00 C ATOM 186 O CYS A 61 5.160 -5.712 -9.870 1.00 0.00 O ATOM 187 CB CYS A 61 3.765 -4.872 -12.671 1.00 0.00 C ATOM 188 SG CYS A 61 2.200 -5.767 -12.835 1.00 0.00 S ATOM 0 H CYS A 61 5.780 -3.658 -11.973 1.00 0.00 H new ATOM 0 HA CYS A 61 2.953 -3.722 -10.996 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.829 -4.087 -13.425 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.603 -5.548 -12.843 1.00 0.00 H new ATOM 193 N LYS A 62 2.968 -5.906 -9.722 1.00 0.00 N ATOM 194 CA LYS A 62 3.068 -6.985 -8.695 1.00 0.00 C ATOM 195 C LYS A 62 1.873 -7.934 -8.813 1.00 0.00 C ATOM 196 O LYS A 62 0.739 -7.506 -8.926 1.00 0.00 O ATOM 197 CB LYS A 62 3.043 -6.255 -7.352 1.00 0.00 C ATOM 198 CG LYS A 62 3.995 -6.948 -6.375 1.00 0.00 C ATOM 199 CD LYS A 62 4.638 -5.905 -5.459 1.00 0.00 C ATOM 200 CE LYS A 62 5.732 -5.157 -6.225 1.00 0.00 C ATOM 201 NZ LYS A 62 5.984 -3.924 -5.430 1.00 0.00 N ATOM 0 H LYS A 62 2.017 -5.647 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 62 3.968 -7.589 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.338 -5.214 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.031 -6.250 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.451 -7.683 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.766 -7.489 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.883 -5.203 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.062 -6.390 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.635 -5.761 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.410 -4.915 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.770 -3.392 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.128 -3.333 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.230 -4.185 -4.454 1.00 0.00 H new ATOM 215 N ASP A 63 2.120 -9.220 -8.789 1.00 0.00 N ATOM 216 CA ASP A 63 1.001 -10.207 -8.900 1.00 0.00 C ATOM 217 C ASP A 63 0.154 -10.193 -7.623 1.00 0.00 C ATOM 218 O ASP A 63 0.653 -10.412 -6.535 1.00 0.00 O ATOM 219 CB ASP A 63 1.678 -11.571 -9.089 1.00 0.00 C ATOM 220 CG ASP A 63 2.607 -11.865 -7.906 1.00 0.00 C ATOM 221 OD1 ASP A 63 3.625 -11.202 -7.799 1.00 0.00 O ATOM 222 OD2 ASP A 63 2.282 -12.747 -7.129 1.00 0.00 O ATOM 0 H ASP A 63 3.049 -9.630 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 63 0.330 -9.975 -9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.923 -12.353 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.247 -11.578 -10.019 1.00 0.00 H new ATOM 227 N GLN A 64 -1.124 -9.937 -7.753 1.00 0.00 N ATOM 228 CA GLN A 64 -2.013 -9.907 -6.553 1.00 0.00 C ATOM 229 C GLN A 64 -3.208 -10.844 -6.757 1.00 0.00 C ATOM 230 O GLN A 64 -3.241 -11.626 -7.688 1.00 0.00 O ATOM 231 CB GLN A 64 -2.481 -8.456 -6.443 1.00 0.00 C ATOM 232 CG GLN A 64 -1.385 -7.613 -5.788 1.00 0.00 C ATOM 233 CD GLN A 64 -1.316 -7.937 -4.294 1.00 0.00 C ATOM 234 OE1 GLN A 64 -0.584 -8.815 -3.884 1.00 0.00 O ATOM 235 NE2 GLN A 64 -2.054 -7.259 -3.458 1.00 0.00 N ATOM 0 H GLN A 64 -1.590 -9.747 -8.640 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.500 -10.239 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.715 -8.062 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.397 -8.402 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.424 -7.817 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.592 -6.553 -5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.669 -6.522 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.016 -7.466 -2.460 1.00 0.00 H new ATOM 244 N LEU A 65 -4.186 -10.768 -5.891 1.00 0.00 N ATOM 245 CA LEU A 65 -5.385 -11.651 -6.028 1.00 0.00 C ATOM 246 C LEU A 65 -6.184 -11.268 -7.276 1.00 0.00 C ATOM 247 O LEU A 65 -6.318 -10.106 -7.600 1.00 0.00 O ATOM 248 CB LEU A 65 -6.214 -11.407 -4.765 1.00 0.00 C ATOM 249 CG LEU A 65 -6.915 -12.703 -4.355 1.00 0.00 C ATOM 250 CD1 LEU A 65 -6.015 -13.491 -3.402 1.00 0.00 C ATOM 251 CD2 LEU A 65 -8.232 -12.367 -3.649 1.00 0.00 C ATOM 0 H LEU A 65 -4.207 -10.132 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.110 -12.700 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.571 -11.058 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.951 -10.625 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.118 -13.303 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.515 -14.415 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.076 -13.729 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.812 -12.892 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.733 -13.289 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.027 -11.768 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.875 -11.804 -4.326 1.00 0.00 H new ATOM 263 N GLN A 66 -6.717 -12.244 -7.973 1.00 0.00 N ATOM 264 CA GLN A 66 -7.517 -11.966 -9.213 1.00 0.00 C ATOM 265 C GLN A 66 -6.688 -11.157 -10.226 1.00 0.00 C ATOM 266 O GLN A 66 -6.058 -11.722 -11.101 1.00 0.00 O ATOM 267 CB GLN A 66 -8.754 -11.184 -8.746 1.00 0.00 C ATOM 268 CG GLN A 66 -9.852 -12.167 -8.333 1.00 0.00 C ATOM 269 CD GLN A 66 -10.819 -11.477 -7.370 1.00 0.00 C ATOM 270 OE1 GLN A 66 -12.015 -11.478 -7.587 1.00 0.00 O ATOM 271 NE2 GLN A 66 -10.350 -10.882 -6.307 1.00 0.00 N ATOM 0 H GLN A 66 -6.632 -13.232 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.805 -12.885 -9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.494 -10.539 -7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.112 -10.537 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.389 -12.520 -9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.411 -13.042 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.347 -10.881 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.987 -10.418 -5.659 1.00 0.00 H new ATOM 280 N SER A 67 -6.677 -9.847 -10.120 1.00 0.00 N ATOM 281 CA SER A 67 -5.886 -9.020 -11.080 1.00 0.00 C ATOM 282 C SER A 67 -4.505 -8.713 -10.495 1.00 0.00 C ATOM 283 O SER A 67 -4.031 -9.399 -9.609 1.00 0.00 O ATOM 284 CB SER A 67 -6.694 -7.734 -11.254 1.00 0.00 C ATOM 285 OG SER A 67 -8.052 -8.064 -11.515 1.00 0.00 O ATOM 0 H SER A 67 -7.183 -9.318 -9.409 1.00 0.00 H new ATOM 0 HA SER A 67 -5.723 -9.529 -12.030 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.623 -7.122 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.287 -7.143 -12.075 1.00 0.00 H new ATOM 0 HG SER A 67 -8.573 -7.241 -11.625 1.00 0.00 H new ATOM 291 N TYR A 68 -3.858 -7.686 -10.986 1.00 0.00 N ATOM 292 CA TYR A 68 -2.505 -7.328 -10.463 1.00 0.00 C ATOM 293 C TYR A 68 -2.483 -5.871 -9.996 1.00 0.00 C ATOM 294 O TYR A 68 -3.512 -5.228 -9.894 1.00 0.00 O ATOM 295 CB TYR A 68 -1.541 -7.538 -11.639 1.00 0.00 C ATOM 296 CG TYR A 68 -1.954 -6.679 -12.814 1.00 0.00 C ATOM 297 CD1 TYR A 68 -1.649 -5.313 -12.823 1.00 0.00 C ATOM 298 CD2 TYR A 68 -2.641 -7.249 -13.892 1.00 0.00 C ATOM 299 CE1 TYR A 68 -2.029 -4.517 -13.910 1.00 0.00 C ATOM 300 CE2 TYR A 68 -3.021 -6.454 -14.979 1.00 0.00 C ATOM 301 CZ TYR A 68 -2.716 -5.088 -14.988 1.00 0.00 C ATOM 302 OH TYR A 68 -3.092 -4.304 -16.060 1.00 0.00 O ATOM 0 H TYR A 68 -4.209 -7.080 -11.727 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.226 -7.938 -9.604 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.525 -7.287 -11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.536 -8.588 -11.931 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.120 -4.873 -11.991 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.878 -8.303 -13.885 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.792 -3.463 -13.917 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.550 -6.895 -15.811 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.558 -4.856 -16.722 1.00 0.00 H new ATOM 312 N ILE A 69 -1.319 -5.355 -9.702 1.00 0.00 N ATOM 313 CA ILE A 69 -1.219 -3.945 -9.229 1.00 0.00 C ATOM 314 C ILE A 69 0.072 -3.298 -9.745 1.00 0.00 C ATOM 315 O ILE A 69 1.099 -3.943 -9.844 1.00 0.00 O ATOM 316 CB ILE A 69 -1.219 -4.058 -7.700 1.00 0.00 C ATOM 317 CG1 ILE A 69 -1.194 -2.658 -7.079 1.00 0.00 C ATOM 318 CG2 ILE A 69 0.005 -4.851 -7.229 1.00 0.00 C ATOM 319 CD1 ILE A 69 -2.076 -2.643 -5.829 1.00 0.00 C ATOM 0 H ILE A 69 -0.431 -5.852 -9.770 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.033 -3.317 -9.590 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.123 -4.579 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.172 -2.381 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.551 -1.922 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.006 -4.925 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.021 -5.851 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.914 -4.342 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.060 -1.648 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.099 -2.902 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.698 -3.368 -5.108 1.00 0.00 H new ATOM 331 N CYS A 70 0.022 -2.033 -10.077 1.00 0.00 N ATOM 332 CA CYS A 70 1.243 -1.342 -10.591 1.00 0.00 C ATOM 333 C CYS A 70 1.484 -0.034 -9.836 1.00 0.00 C ATOM 334 O CYS A 70 0.639 0.842 -9.809 1.00 0.00 O ATOM 335 CB CYS A 70 0.948 -1.057 -12.063 1.00 0.00 C ATOM 336 SG CYS A 70 1.240 -2.552 -13.041 1.00 0.00 S ATOM 0 H CYS A 70 -0.812 -1.449 -10.014 1.00 0.00 H new ATOM 0 HA CYS A 70 2.138 -1.950 -10.459 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.085 -0.729 -12.181 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.582 -0.246 -12.421 1.00 0.00 H new ATOM 341 N PHE A 71 2.638 0.107 -9.236 1.00 0.00 N ATOM 342 CA PHE A 71 2.954 1.361 -8.492 1.00 0.00 C ATOM 343 C PHE A 71 3.617 2.363 -9.441 1.00 0.00 C ATOM 344 O PHE A 71 4.815 2.330 -9.652 1.00 0.00 O ATOM 345 CB PHE A 71 3.925 0.940 -7.387 1.00 0.00 C ATOM 346 CG PHE A 71 3.248 -0.047 -6.465 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.485 0.413 -5.386 1.00 0.00 C ATOM 348 CD2 PHE A 71 3.385 -1.421 -6.691 1.00 0.00 C ATOM 349 CE1 PHE A 71 1.858 -0.501 -4.532 1.00 0.00 C ATOM 350 CE2 PHE A 71 2.759 -2.337 -5.836 1.00 0.00 C ATOM 351 CZ PHE A 71 1.995 -1.877 -4.757 1.00 0.00 C ATOM 0 H PHE A 71 3.377 -0.596 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 71 2.065 1.840 -8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.817 0.491 -7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.251 1.814 -6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.380 1.474 -5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.973 -1.775 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.269 -0.146 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.866 -3.398 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.511 -2.583 -4.098 1.00 0.00 H new ATOM 361 N CYS A 72 2.843 3.242 -10.023 1.00 0.00 N ATOM 362 CA CYS A 72 3.419 4.243 -10.974 1.00 0.00 C ATOM 363 C CYS A 72 4.372 5.186 -10.235 1.00 0.00 C ATOM 364 O CYS A 72 4.524 5.112 -9.031 1.00 0.00 O ATOM 365 CB CYS A 72 2.225 5.031 -11.533 1.00 0.00 C ATOM 366 SG CYS A 72 1.002 3.914 -12.283 1.00 0.00 S ATOM 0 H CYS A 72 1.835 3.311 -9.881 1.00 0.00 H new ATOM 0 HA CYS A 72 3.987 3.759 -11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.757 5.605 -10.733 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.573 5.747 -12.277 1.00 0.00 H new ATOM 371 N LEU A 73 5.009 6.073 -10.956 1.00 0.00 N ATOM 372 CA LEU A 73 5.953 7.034 -10.312 1.00 0.00 C ATOM 373 C LEU A 73 5.179 8.244 -9.767 1.00 0.00 C ATOM 374 O LEU A 73 4.012 8.407 -10.070 1.00 0.00 O ATOM 375 CB LEU A 73 6.901 7.461 -11.436 1.00 0.00 C ATOM 376 CG LEU A 73 8.087 6.498 -11.499 1.00 0.00 C ATOM 377 CD1 LEU A 73 8.847 6.707 -12.809 1.00 0.00 C ATOM 378 CD2 LEU A 73 9.025 6.766 -10.319 1.00 0.00 C ATOM 0 H LEU A 73 4.915 6.173 -11.967 1.00 0.00 H new ATOM 0 HA LEU A 73 6.489 6.595 -9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.372 7.466 -12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.254 8.478 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 73 7.723 5.472 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.692 6.020 -12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.181 6.517 -13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.211 7.733 -12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.871 6.080 -10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.388 7.793 -10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.485 6.617 -9.384 1.00 0.00 H new ATOM 390 N PRO A 74 5.843 9.065 -8.983 1.00 0.00 N ATOM 391 CA PRO A 74 5.172 10.262 -8.413 1.00 0.00 C ATOM 392 C PRO A 74 4.815 11.255 -9.524 1.00 0.00 C ATOM 393 O PRO A 74 3.910 12.056 -9.381 1.00 0.00 O ATOM 394 CB PRO A 74 6.214 10.843 -7.458 1.00 0.00 C ATOM 395 CG PRO A 74 7.522 10.341 -7.975 1.00 0.00 C ATOM 396 CD PRO A 74 7.251 8.981 -8.559 1.00 0.00 C ATOM 0 HA PRO A 74 4.234 10.030 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.182 11.933 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.040 10.513 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.926 11.015 -8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.259 10.281 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.911 8.766 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.403 8.191 -7.824 1.00 0.00 H new ATOM 404 N ALA A 75 5.513 11.202 -10.632 1.00 0.00 N ATOM 405 CA ALA A 75 5.209 12.132 -11.757 1.00 0.00 C ATOM 406 C ALA A 75 4.443 11.394 -12.863 1.00 0.00 C ATOM 407 O ALA A 75 4.466 11.791 -14.013 1.00 0.00 O ATOM 408 CB ALA A 75 6.574 12.594 -12.269 1.00 0.00 C ATOM 0 H ALA A 75 6.281 10.553 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 75 4.586 12.969 -11.443 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.436 13.284 -13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.113 13.097 -11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.148 11.730 -12.605 1.00 0.00 H new ATOM 414 N PHE A 76 3.766 10.323 -12.521 1.00 0.00 N ATOM 415 CA PHE A 76 2.997 9.558 -13.549 1.00 0.00 C ATOM 416 C PHE A 76 1.624 9.163 -12.999 1.00 0.00 C ATOM 417 O PHE A 76 1.389 9.206 -11.806 1.00 0.00 O ATOM 418 CB PHE A 76 3.838 8.312 -13.827 1.00 0.00 C ATOM 419 CG PHE A 76 4.983 8.669 -14.744 1.00 0.00 C ATOM 420 CD1 PHE A 76 6.180 9.163 -14.211 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.847 8.507 -16.128 1.00 0.00 C ATOM 422 CE1 PHE A 76 7.241 9.495 -15.062 1.00 0.00 C ATOM 423 CE2 PHE A 76 5.909 8.839 -16.979 1.00 0.00 C ATOM 424 CZ PHE A 76 7.105 9.333 -16.445 1.00 0.00 C ATOM 0 H PHE A 76 3.714 9.947 -11.574 1.00 0.00 H new ATOM 0 HA PHE A 76 2.822 10.143 -14.452 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.221 7.903 -12.892 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.221 7.538 -14.284 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.285 9.288 -13.143 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.924 8.126 -16.539 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.164 9.876 -14.651 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.805 8.714 -18.047 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.924 9.589 -17.101 1.00 0.00 H new ATOM 434 N GLU A 77 0.718 8.779 -13.862 1.00 0.00 N ATOM 435 CA GLU A 77 -0.645 8.378 -13.399 1.00 0.00 C ATOM 436 C GLU A 77 -1.238 7.330 -14.345 1.00 0.00 C ATOM 437 O GLU A 77 -0.622 6.943 -15.320 1.00 0.00 O ATOM 438 CB GLU A 77 -1.470 9.665 -13.436 1.00 0.00 C ATOM 439 CG GLU A 77 -2.637 9.552 -12.454 1.00 0.00 C ATOM 440 CD GLU A 77 -2.956 10.933 -11.879 1.00 0.00 C ATOM 441 OE1 GLU A 77 -2.963 11.884 -12.644 1.00 0.00 O ATOM 442 OE2 GLU A 77 -3.188 11.018 -10.684 1.00 0.00 O ATOM 0 H GLU A 77 0.864 8.726 -14.870 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.630 7.933 -12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.844 10.518 -13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.845 9.840 -14.444 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.513 9.146 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.384 8.861 -11.650 1.00 0.00 H new ATOM 449 N GLY A 78 -2.433 6.874 -14.062 1.00 0.00 N ATOM 450 CA GLY A 78 -3.077 5.853 -14.939 1.00 0.00 C ATOM 451 C GLY A 78 -3.066 4.494 -14.237 1.00 0.00 C ATOM 452 O GLY A 78 -2.188 4.203 -13.444 1.00 0.00 O ATOM 0 H GLY A 78 -2.990 7.167 -13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.101 6.148 -15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.546 5.788 -15.889 1.00 0.00 H new ATOM 456 N ARG A 79 -4.034 3.661 -14.523 1.00 0.00 N ATOM 457 CA ARG A 79 -4.086 2.313 -13.874 1.00 0.00 C ATOM 458 C ARG A 79 -2.839 1.504 -14.239 1.00 0.00 C ATOM 459 O ARG A 79 -2.268 0.821 -13.410 1.00 0.00 O ATOM 460 CB ARG A 79 -5.342 1.642 -14.437 1.00 0.00 C ATOM 461 CG ARG A 79 -5.939 0.710 -13.380 1.00 0.00 C ATOM 462 CD ARG A 79 -6.921 1.494 -12.503 1.00 0.00 C ATOM 463 NE ARG A 79 -7.285 0.561 -11.388 1.00 0.00 N ATOM 464 CZ ARG A 79 -8.266 0.843 -10.556 1.00 0.00 C ATOM 465 NH1 ARG A 79 -9.100 1.830 -10.788 1.00 0.00 N ATOM 466 NH2 ARG A 79 -8.420 0.117 -9.482 1.00 0.00 N ATOM 0 H ARG A 79 -4.792 3.855 -15.178 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.117 2.382 -12.787 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.073 2.398 -14.726 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.094 1.078 -15.336 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.451 -0.123 -13.862 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.146 0.285 -12.765 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.464 2.406 -12.119 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.803 1.793 -13.070 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.764 -0.308 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.996 2.399 -11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.852 2.028 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.784 -0.658 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.176 0.325 -8.830 1.00 0.00 H new ATOM 480 N ASN A 80 -2.413 1.582 -15.474 1.00 0.00 N ATOM 481 CA ASN A 80 -1.200 0.825 -15.905 1.00 0.00 C ATOM 482 C ASN A 80 -0.012 1.778 -16.067 1.00 0.00 C ATOM 483 O ASN A 80 0.894 1.528 -16.839 1.00 0.00 O ATOM 484 CB ASN A 80 -1.579 0.205 -17.250 1.00 0.00 C ATOM 485 CG ASN A 80 -2.736 -0.777 -17.053 1.00 0.00 C ATOM 486 OD1 ASN A 80 -3.715 -0.733 -17.772 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.665 -1.667 -16.101 1.00 0.00 N ATOM 0 H ASN A 80 -2.855 2.140 -16.205 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.903 0.070 -15.177 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.867 0.986 -17.954 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.720 -0.310 -17.680 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.431 -2.326 -15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.843 -1.704 -15.498 1.00 0.00 H new ATOM 494 N CYS A 81 -0.011 2.872 -15.341 1.00 0.00 N ATOM 495 CA CYS A 81 1.114 3.862 -15.439 1.00 0.00 C ATOM 496 C CYS A 81 1.326 4.289 -16.897 1.00 0.00 C ATOM 497 O CYS A 81 2.434 4.281 -17.400 1.00 0.00 O ATOM 498 CB CYS A 81 2.366 3.139 -14.909 1.00 0.00 C ATOM 499 SG CYS A 81 2.081 2.491 -13.235 1.00 0.00 S ATOM 0 H CYS A 81 -0.746 3.124 -14.680 1.00 0.00 H new ATOM 0 HA CYS A 81 0.900 4.764 -14.865 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.630 2.321 -15.580 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.211 3.827 -14.898 1.00 0.00 H new ATOM 504 N GLU A 82 0.270 4.658 -17.576 1.00 0.00 N ATOM 505 CA GLU A 82 0.401 5.084 -19.003 1.00 0.00 C ATOM 506 C GLU A 82 -0.001 6.555 -19.165 1.00 0.00 C ATOM 507 O GLU A 82 -0.400 6.980 -20.234 1.00 0.00 O ATOM 508 CB GLU A 82 -0.551 4.171 -19.785 1.00 0.00 C ATOM 509 CG GLU A 82 -1.982 4.329 -19.258 1.00 0.00 C ATOM 510 CD GLU A 82 -2.960 3.663 -20.229 1.00 0.00 C ATOM 511 OE1 GLU A 82 -2.724 2.521 -20.586 1.00 0.00 O ATOM 512 OE2 GLU A 82 -3.928 4.308 -20.598 1.00 0.00 O ATOM 0 H GLU A 82 -0.679 4.683 -17.203 1.00 0.00 H new ATOM 0 HA GLU A 82 1.427 5.001 -19.361 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.516 4.419 -20.846 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.232 3.133 -19.690 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.069 3.877 -18.270 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.226 5.386 -19.147 1.00 0.00 H new ATOM 519 N THR A 83 0.101 7.332 -18.115 1.00 0.00 N ATOM 520 CA THR A 83 -0.273 8.775 -18.207 1.00 0.00 C ATOM 521 C THR A 83 0.807 9.646 -17.559 1.00 0.00 C ATOM 522 O THR A 83 1.085 9.527 -16.381 1.00 0.00 O ATOM 523 CB THR A 83 -1.590 8.892 -17.439 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.491 7.892 -17.893 1.00 0.00 O ATOM 525 CG2 THR A 83 -2.199 10.275 -17.672 1.00 0.00 C ATOM 0 H THR A 83 0.428 7.028 -17.198 1.00 0.00 H new ATOM 0 HA THR A 83 -0.372 9.111 -19.239 1.00 0.00 H new ATOM 0 HB THR A 83 -1.403 8.756 -16.374 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.335 7.964 -17.401 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.138 10.356 -17.124 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.507 11.041 -17.322 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.387 10.415 -18.736 1.00 0.00 H new ATOM 533 N HIS A 84 1.414 10.518 -18.323 1.00 0.00 N ATOM 534 CA HIS A 84 2.478 11.403 -17.760 1.00 0.00 C ATOM 535 C HIS A 84 1.848 12.633 -17.100 1.00 0.00 C ATOM 536 O HIS A 84 1.306 13.495 -17.767 1.00 0.00 O ATOM 537 CB HIS A 84 3.326 11.815 -18.964 1.00 0.00 C ATOM 538 CG HIS A 84 4.759 11.974 -18.538 1.00 0.00 C ATOM 539 ND1 HIS A 84 5.768 11.156 -19.019 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.367 12.854 -17.677 1.00 0.00 C ATOM 541 CE1 HIS A 84 6.920 11.555 -18.450 1.00 0.00 C ATOM 542 NE2 HIS A 84 6.733 12.588 -17.623 1.00 0.00 N ATOM 0 H HIS A 84 1.218 10.655 -19.315 1.00 0.00 H new ATOM 0 HA HIS A 84 3.071 10.902 -16.995 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.250 11.063 -19.750 1.00 0.00 H new ATOM 0 HB3 HIS A 84 2.954 12.751 -19.381 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.863 13.634 -17.126 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.879 11.096 -18.639 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.438 13.076 -17.071 1.00 0.00 H new ATOM 550 N LYS A 85 1.918 12.718 -15.796 1.00 0.00 N ATOM 551 CA LYS A 85 1.324 13.892 -15.084 1.00 0.00 C ATOM 552 C LYS A 85 2.032 15.181 -15.511 1.00 0.00 C ATOM 553 O LYS A 85 3.163 15.431 -15.138 1.00 0.00 O ATOM 554 CB LYS A 85 1.556 13.624 -13.595 1.00 0.00 C ATOM 555 CG LYS A 85 0.574 12.556 -13.111 1.00 0.00 C ATOM 556 CD LYS A 85 0.220 12.816 -11.645 1.00 0.00 C ATOM 557 CE LYS A 85 1.383 12.376 -10.753 1.00 0.00 C ATOM 558 NZ LYS A 85 2.158 13.621 -10.490 1.00 0.00 N ATOM 0 H LYS A 85 2.361 12.025 -15.192 1.00 0.00 H new ATOM 0 HA LYS A 85 0.265 14.016 -15.312 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.581 13.293 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.422 14.543 -13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.328 12.572 -13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.015 11.565 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.011 13.875 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.685 12.271 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.023 11.932 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.998 11.625 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.924 13.418 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.565 13.971 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.527 14.344 -10.089 1.00 0.00 H new ATOM 572 N ASP A 86 1.372 15.999 -16.291 1.00 0.00 N ATOM 573 CA ASP A 86 1.997 17.276 -16.749 1.00 0.00 C ATOM 574 C ASP A 86 1.239 18.474 -16.171 1.00 0.00 C ATOM 575 O ASP A 86 1.817 19.504 -15.883 1.00 0.00 O ATOM 576 CB ASP A 86 1.881 17.251 -18.273 1.00 0.00 C ATOM 577 CG ASP A 86 3.002 16.390 -18.857 1.00 0.00 C ATOM 578 OD1 ASP A 86 2.946 15.183 -18.689 1.00 0.00 O ATOM 579 OD2 ASP A 86 3.899 16.953 -19.463 1.00 0.00 O ATOM 0 H ASP A 86 0.424 15.837 -16.631 1.00 0.00 H new ATOM 0 HA ASP A 86 3.033 17.369 -16.422 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.911 16.852 -18.568 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.943 18.264 -18.669 1.00 0.00 H new ATOM 584 N ASP A 87 -0.053 18.342 -16.002 1.00 0.00 N ATOM 585 CA ASP A 87 -0.860 19.467 -15.443 1.00 0.00 C ATOM 586 C ASP A 87 -0.812 19.444 -13.914 1.00 0.00 C ATOM 587 O ASP A 87 -0.519 18.429 -13.310 1.00 0.00 O ATOM 588 CB ASP A 87 -2.284 19.217 -15.941 1.00 0.00 C ATOM 589 CG ASP A 87 -3.062 20.534 -15.946 1.00 0.00 C ATOM 590 OD1 ASP A 87 -2.833 21.339 -15.058 1.00 0.00 O ATOM 591 OD2 ASP A 87 -3.875 20.716 -16.838 1.00 0.00 O ATOM 0 H ASP A 87 -0.584 17.501 -16.228 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.484 20.441 -15.756 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.260 18.793 -16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.783 18.490 -15.299 1.00 0.00 H new ATOM 596 N GLY A 88 -1.100 20.557 -13.287 1.00 0.00 N ATOM 597 CA GLY A 88 -1.075 20.610 -11.795 1.00 0.00 C ATOM 598 C GLY A 88 -0.974 22.066 -11.337 1.00 0.00 C ATOM 599 O GLY A 88 -1.788 22.540 -10.568 1.00 0.00 O ATOM 0 H GLY A 88 -1.352 21.432 -13.746 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.977 20.152 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.228 20.039 -11.414 1.00 0.00 H new ATOM 603 N SER A 89 0.021 22.775 -11.806 1.00 0.00 N ATOM 604 CA SER A 89 0.185 24.204 -11.404 1.00 0.00 C ATOM 605 C SER A 89 -0.424 25.125 -12.465 1.00 0.00 C ATOM 606 O SER A 89 0.092 26.192 -12.741 1.00 0.00 O ATOM 607 CB SER A 89 1.695 24.418 -11.311 1.00 0.00 C ATOM 608 OG SER A 89 2.251 23.457 -10.425 1.00 0.00 O ATOM 0 H SER A 89 0.729 22.424 -12.452 1.00 0.00 H new ATOM 0 HA SER A 89 -0.317 24.429 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.149 24.325 -12.298 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.910 25.425 -10.955 1.00 0.00 H new ATOM 0 HG SER A 89 3.220 23.590 -10.364 1.00 0.00 H new ATOM 614 N ALA A 90 -1.518 24.718 -13.059 1.00 0.00 N ATOM 615 CA ALA A 90 -2.168 25.564 -14.103 1.00 0.00 C ATOM 616 C ALA A 90 -3.117 26.574 -13.452 1.00 0.00 C ATOM 617 O ALA A 90 -3.160 27.701 -13.916 1.00 0.00 O ATOM 618 CB ALA A 90 -2.949 24.582 -14.977 1.00 0.00 C ATOM 619 OXT ALA A 90 -3.783 26.202 -12.500 1.00 0.00 O ATOM 0 H ALA A 90 -1.989 23.834 -12.865 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.443 26.137 -14.680 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.458 25.127 -15.772 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.261 23.859 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.685 24.059 -14.367 1.00 0.00 H new TER 625 ALA A 90 HETATM 626 C1 FUC A 91 8.831 -0.125 -8.229 1.00 0.00 C HETATM 627 C2 FUC A 91 10.287 0.250 -8.519 1.00 0.00 C HETATM 628 C3 FUC A 91 10.306 1.341 -9.593 1.00 0.00 C HETATM 629 C4 FUC A 91 9.523 2.550 -9.077 1.00 0.00 C HETATM 630 C5 FUC A 91 8.086 2.110 -8.776 1.00 0.00 C HETATM 631 C6 FUC A 91 7.225 3.227 -8.220 1.00 0.00 C HETATM 632 O2 FUC A 91 11.003 -0.892 -8.966 1.00 0.00 O HETATM 633 O3 FUC A 91 11.647 1.711 -9.882 1.00 0.00 O HETATM 634 O4 FUC A 91 10.137 3.061 -7.902 1.00 0.00 O HETATM 635 O5 FUC A 91 8.105 1.036 -7.796 1.00 0.00 O HETATM 0 HO4 FUC A 91 11.097 2.864 -7.922 1.00 0.00 H new HETATM 0 HO3 FUC A 91 12.236 0.940 -9.742 1.00 0.00 H new HETATM 0 HO2 FUC A 91 10.401 -1.479 -9.470 1.00 0.00 H new HETATM 0 H63 FUC A 91 7.659 3.592 -7.289 1.00 0.00 H new HETATM 0 H62 FUC A 91 7.176 4.042 -8.942 1.00 0.00 H new HETATM 0 H61 FUC A 91 6.220 2.851 -8.028 1.00 0.00 H new HETATM 0 H5 FUC A 91 7.656 1.789 -9.725 1.00 0.00 H new HETATM 0 H4 FUC A 91 9.516 3.338 -9.830 1.00 0.00 H new HETATM 0 H3 FUC A 91 9.846 0.970 -10.509 1.00 0.00 H new HETATM 0 H2 FUC A 91 10.764 0.619 -7.611 1.00 0.00 H new