USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 804 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 81 HIS : no HE2:sc= -4.87! C(o=-22!,f=-27!) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -17.2! C(o=-22!,f=-25!) USER MOD Set 2.1: A 80 TYR OH : rot 180:sc= 0.536 USER MOD Set 2.2: A 84 GLN : amide:sc= 0.903 X(o=1.4,f=1.5) USER MOD Set 3.1: A 43 SER OG : rot -142:sc= -9.92! USER MOD Set 3.2: A 52 HIS : no HD1:sc= -7.24! C(o=-17!,f=-19!) USER MOD Single : A 1 SER N :NH3+ 150:sc= -0.133 (180deg=-1.23) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.907 K(o=-0.91,f=-3!) USER MOD Single : A 23 ASN : amide:sc= -10.6! C(o=-11!,f=-22!) USER MOD Single : A 25 THR OG1 : rot 8:sc= 0.532 USER MOD Single : A 33 SER OG : rot 129:sc= -2.1 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -19:sc= 0.608 USER MOD Single : A 48 GLN : amide:sc= -0.0946 K(o=-0.095,f=-0.98) USER MOD Single : A 53 TYR OH : rot 50:sc= -1.72 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0.0288 (180deg=0.0247) USER MOD Single : A 64 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-6.3!) USER MOD Single : A 66 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.049) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.731 USER MOD Single : A 79 ASN : amide:sc= -0.411 X(o=-0.41,f=0.016) USER MOD Single : A 85 SER OG : rot 180:sc= 0.321 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 18:sc= -3.47 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.873 6.177 6.025 1.00 0.00 N ATOM 2 CA SER A 1 10.412 5.387 4.887 1.00 0.00 C ATOM 3 C SER A 1 9.431 4.303 4.455 1.00 0.00 C ATOM 4 O SER A 1 8.944 4.307 3.325 1.00 0.00 O ATOM 5 CB SER A 1 11.739 4.758 5.318 1.00 0.00 C ATOM 6 OG SER A 1 12.828 5.614 5.021 1.00 0.00 O ATOM 0 H1 SER A 1 10.659 6.521 6.612 1.00 0.00 H new ATOM 0 H2 SER A 1 9.333 6.987 5.660 1.00 0.00 H new ATOM 0 H3 SER A 1 9.249 5.576 6.600 1.00 0.00 H new ATOM 0 HA SER A 1 10.567 6.047 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.716 4.551 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.874 3.803 4.811 1.00 0.00 H new ATOM 0 HG SER A 1 13.664 5.191 5.307 1.00 0.00 H new ATOM 14 N GLU A 2 9.149 3.373 5.362 1.00 0.00 N ATOM 15 CA GLU A 2 8.229 2.279 5.077 1.00 0.00 C ATOM 16 C GLU A 2 6.782 2.767 5.078 1.00 0.00 C ATOM 17 O GLU A 2 6.469 3.800 5.668 1.00 0.00 O ATOM 18 CB GLU A 2 8.404 1.161 6.107 1.00 0.00 C ATOM 19 CG GLU A 2 9.749 0.457 6.018 1.00 0.00 C ATOM 20 CD GLU A 2 9.981 -0.188 4.666 1.00 0.00 C ATOM 21 OE1 GLU A 2 10.210 0.552 3.686 1.00 0.00 O ATOM 22 OE2 GLU A 2 9.932 -1.434 4.586 1.00 0.00 O ATOM 0 H GLU A 2 9.545 3.356 6.302 1.00 0.00 H new ATOM 0 HA GLU A 2 8.460 1.891 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.287 1.578 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.609 0.427 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.545 1.175 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.808 -0.305 6.795 1.00 0.00 H new ATOM 29 N PRO A 3 5.878 2.025 4.414 1.00 0.00 N ATOM 30 CA PRO A 3 4.457 2.382 4.339 1.00 0.00 C ATOM 31 C PRO A 3 3.693 2.019 5.612 1.00 0.00 C ATOM 32 O PRO A 3 2.541 2.411 5.787 1.00 0.00 O ATOM 33 CB PRO A 3 3.962 1.541 3.166 1.00 0.00 C ATOM 34 CG PRO A 3 4.816 0.321 3.201 1.00 0.00 C ATOM 35 CD PRO A 3 6.170 0.777 3.679 1.00 0.00 C ATOM 0 HA PRO A 3 4.307 3.455 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.907 1.291 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.069 2.074 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.398 -0.429 3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.884 -0.136 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.639 0.033 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.851 0.952 2.846 1.00 0.00 H new ATOM 43 N TRP A 4 4.338 1.262 6.497 1.00 0.00 N ATOM 44 CA TRP A 4 3.708 0.844 7.747 1.00 0.00 C ATOM 45 C TRP A 4 2.551 -0.111 7.468 1.00 0.00 C ATOM 46 O TRP A 4 1.552 0.267 6.856 1.00 0.00 O ATOM 47 CB TRP A 4 3.212 2.062 8.533 1.00 0.00 C ATOM 48 CG TRP A 4 4.016 2.339 9.767 1.00 0.00 C ATOM 49 CD1 TRP A 4 4.435 3.559 10.216 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.499 1.377 10.712 1.00 0.00 C ATOM 51 NE1 TRP A 4 5.151 3.414 11.380 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.203 2.084 11.705 1.00 0.00 C ATOM 53 CE3 TRP A 4 4.404 -0.014 10.814 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.807 1.446 12.786 1.00 0.00 C ATOM 55 CZ3 TRP A 4 5.005 -0.645 11.887 1.00 0.00 C ATOM 56 CH2 TRP A 4 5.699 0.084 12.860 1.00 0.00 C ATOM 0 H TRP A 4 5.293 0.927 6.372 1.00 0.00 H new ATOM 0 HA TRP A 4 4.453 0.323 8.348 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.239 2.939 7.886 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.171 1.905 8.814 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.233 4.501 9.727 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.574 4.172 11.915 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.871 -0.585 10.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.341 2.006 13.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.938 -1.719 11.976 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.158 -0.439 13.686 1.00 0.00 H new ATOM 67 N PHE A 5 2.697 -1.353 7.917 1.00 0.00 N ATOM 68 CA PHE A 5 1.668 -2.370 7.712 1.00 0.00 C ATOM 69 C PHE A 5 0.601 -2.299 8.799 1.00 0.00 C ATOM 70 O PHE A 5 0.910 -2.226 9.989 1.00 0.00 O ATOM 71 CB PHE A 5 2.293 -3.771 7.695 1.00 0.00 C ATOM 72 CG PHE A 5 3.697 -3.814 7.154 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.926 -4.010 5.801 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.785 -3.660 7.998 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.214 -4.051 5.301 1.00 0.00 C ATOM 76 CE2 PHE A 5 6.075 -3.700 7.504 1.00 0.00 C ATOM 77 CZ PHE A 5 6.290 -3.895 6.153 1.00 0.00 C ATOM 0 H PHE A 5 3.518 -1.681 8.426 1.00 0.00 H new ATOM 0 HA PHE A 5 1.197 -2.175 6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.294 -4.168 8.710 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.664 -4.430 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.089 -4.132 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.623 -3.507 9.055 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.379 -4.205 4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.914 -3.579 8.173 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.297 -3.925 5.764 1.00 0.00 H new ATOM 87 N PHE A 6 -0.658 -2.337 8.377 1.00 0.00 N ATOM 88 CA PHE A 6 -1.785 -2.294 9.296 1.00 0.00 C ATOM 89 C PHE A 6 -2.838 -3.307 8.863 1.00 0.00 C ATOM 90 O PHE A 6 -3.674 -3.018 8.011 1.00 0.00 O ATOM 91 CB PHE A 6 -2.389 -0.889 9.334 1.00 0.00 C ATOM 92 CG PHE A 6 -2.034 -0.115 10.572 1.00 0.00 C ATOM 93 CD1 PHE A 6 -0.885 0.657 10.615 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.849 -0.160 11.691 1.00 0.00 C ATOM 95 CE1 PHE A 6 -0.555 1.371 11.751 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.524 0.551 12.831 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.375 1.318 12.861 1.00 0.00 C ATOM 0 H PHE A 6 -0.923 -2.398 7.394 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.435 -2.546 10.297 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.051 -0.334 8.459 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.474 -0.967 9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.239 0.701 9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.749 -0.757 11.673 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.343 1.970 11.771 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.167 0.507 13.697 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.119 1.875 13.750 1.00 0.00 H new ATOM 107 N GLY A 7 -2.786 -4.498 9.446 1.00 0.00 N ATOM 108 CA GLY A 7 -3.731 -5.534 9.093 1.00 0.00 C ATOM 109 C GLY A 7 -5.053 -5.388 9.808 1.00 0.00 C ATOM 110 O GLY A 7 -5.869 -6.310 9.802 1.00 0.00 O ATOM 0 H GLY A 7 -2.105 -4.763 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.901 -5.513 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.301 -6.507 9.329 1.00 0.00 H new ATOM 114 N CYS A 8 -5.275 -4.235 10.433 1.00 0.00 N ATOM 115 CA CYS A 8 -6.516 -4.011 11.149 1.00 0.00 C ATOM 116 C CYS A 8 -7.266 -2.783 10.633 1.00 0.00 C ATOM 117 O CYS A 8 -8.407 -2.540 11.024 1.00 0.00 O ATOM 118 CB CYS A 8 -6.249 -3.872 12.649 1.00 0.00 C ATOM 119 SG CYS A 8 -7.383 -4.820 13.691 1.00 0.00 S ATOM 0 H CYS A 8 -4.619 -3.454 10.456 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.150 -4.880 10.974 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.228 -4.192 12.857 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.315 -2.819 12.923 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.076 -4.640 14.941 1.00 0.00 H new ATOM 125 N ILE A 9 -6.631 -2.014 9.754 1.00 0.00 N ATOM 126 CA ILE A 9 -7.265 -0.823 9.197 1.00 0.00 C ATOM 127 C ILE A 9 -8.267 -1.199 8.113 1.00 0.00 C ATOM 128 O ILE A 9 -8.211 -2.294 7.555 1.00 0.00 O ATOM 129 CB ILE A 9 -6.233 0.157 8.602 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.469 -0.505 7.457 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.275 0.648 9.676 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.423 0.390 6.834 1.00 0.00 C ATOM 0 H ILE A 9 -5.686 -2.191 9.414 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.779 -0.330 10.022 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.767 1.021 8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.988 -1.410 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.177 -0.813 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.556 1.338 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.836 1.160 10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.745 -0.202 10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.920 -0.145 6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.901 1.284 6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.693 0.677 7.590 1.00 0.00 H new ATOM 144 N SER A 10 -9.179 -0.282 7.816 1.00 0.00 N ATOM 145 CA SER A 10 -10.190 -0.515 6.793 1.00 0.00 C ATOM 146 C SER A 10 -10.143 0.578 5.734 1.00 0.00 C ATOM 147 O SER A 10 -9.364 1.525 5.840 1.00 0.00 O ATOM 148 CB SER A 10 -11.582 -0.572 7.425 1.00 0.00 C ATOM 149 OG SER A 10 -11.528 -1.110 8.735 1.00 0.00 O ATOM 0 H SER A 10 -9.239 0.630 8.269 1.00 0.00 H new ATOM 0 HA SER A 10 -9.979 -1.472 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.011 0.430 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.241 -1.181 6.806 1.00 0.00 H new ATOM 0 HG SER A 10 -12.430 -1.134 9.116 1.00 0.00 H new ATOM 155 N ARG A 11 -10.984 0.446 4.715 1.00 0.00 N ATOM 156 CA ARG A 11 -11.036 1.429 3.640 1.00 0.00 C ATOM 157 C ARG A 11 -11.491 2.788 4.160 1.00 0.00 C ATOM 158 O ARG A 11 -11.319 3.806 3.492 1.00 0.00 O ATOM 159 CB ARG A 11 -11.973 0.950 2.527 1.00 0.00 C ATOM 160 CG ARG A 11 -11.463 1.261 1.129 1.00 0.00 C ATOM 161 CD ARG A 11 -11.571 0.053 0.212 1.00 0.00 C ATOM 162 NE ARG A 11 -11.124 0.353 -1.146 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.865 0.997 -2.045 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.089 1.409 -1.736 1.00 0.00 N ATOM 165 NH2 ARG A 11 -11.381 1.230 -3.257 1.00 0.00 N ATOM 0 H ARG A 11 -11.638 -0.330 4.611 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.030 1.539 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.116 -0.126 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.950 1.415 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.033 2.089 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.424 1.585 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.974 -0.764 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.605 -0.290 0.185 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.189 0.051 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.467 1.233 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.651 1.902 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.442 0.916 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.948 1.723 -3.946 1.00 0.00 H new ATOM 179 N SER A 12 -12.067 2.796 5.353 1.00 0.00 N ATOM 180 CA SER A 12 -12.546 4.031 5.963 1.00 0.00 C ATOM 181 C SER A 12 -11.390 4.864 6.506 1.00 0.00 C ATOM 182 O SER A 12 -11.287 6.057 6.222 1.00 0.00 O ATOM 183 CB SER A 12 -13.534 3.716 7.088 1.00 0.00 C ATOM 184 OG SER A 12 -14.590 2.891 6.626 1.00 0.00 O ATOM 0 H SER A 12 -12.215 1.961 5.920 1.00 0.00 H new ATOM 0 HA SER A 12 -13.051 4.612 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.012 3.219 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.942 4.644 7.488 1.00 0.00 H new ATOM 0 HG SER A 12 -15.206 2.704 7.365 1.00 0.00 H new ATOM 190 N GLU A 13 -10.523 4.233 7.294 1.00 0.00 N ATOM 191 CA GLU A 13 -9.381 4.929 7.878 1.00 0.00 C ATOM 192 C GLU A 13 -8.290 5.171 6.846 1.00 0.00 C ATOM 193 O GLU A 13 -7.712 6.249 6.796 1.00 0.00 O ATOM 194 CB GLU A 13 -8.795 4.138 9.047 1.00 0.00 C ATOM 195 CG GLU A 13 -9.841 3.463 9.921 1.00 0.00 C ATOM 196 CD GLU A 13 -9.538 3.598 11.400 1.00 0.00 C ATOM 197 OE1 GLU A 13 -9.924 4.626 11.994 1.00 0.00 O ATOM 198 OE2 GLU A 13 -8.916 2.673 11.965 1.00 0.00 O ATOM 0 H GLU A 13 -10.589 3.246 7.542 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.747 5.890 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.118 3.379 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.198 4.810 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.819 3.898 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.900 2.406 9.661 1.00 0.00 H new ATOM 205 N ALA A 14 -8.001 4.162 6.035 1.00 0.00 N ATOM 206 CA ALA A 14 -6.966 4.276 5.021 1.00 0.00 C ATOM 207 C ALA A 14 -7.246 5.431 4.068 1.00 0.00 C ATOM 208 O ALA A 14 -6.326 6.125 3.637 1.00 0.00 O ATOM 209 CB ALA A 14 -6.838 2.970 4.256 1.00 0.00 C ATOM 0 H ALA A 14 -8.470 3.256 6.061 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.022 4.486 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.060 3.067 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.575 2.168 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.787 2.737 3.773 1.00 0.00 H new ATOM 215 N VAL A 15 -8.518 5.639 3.745 1.00 0.00 N ATOM 216 CA VAL A 15 -8.896 6.722 2.842 1.00 0.00 C ATOM 217 C VAL A 15 -8.627 8.081 3.487 1.00 0.00 C ATOM 218 O VAL A 15 -8.034 8.965 2.870 1.00 0.00 O ATOM 219 CB VAL A 15 -10.380 6.609 2.406 1.00 0.00 C ATOM 220 CG1 VAL A 15 -11.272 7.618 3.121 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.501 6.759 0.897 1.00 0.00 C ATOM 0 H VAL A 15 -9.298 5.079 4.090 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.281 6.634 1.947 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.728 5.617 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.301 7.499 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.223 7.449 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.931 8.629 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.548 6.677 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.116 7.733 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.926 5.974 0.406 1.00 0.00 H new ATOM 231 N ARG A 16 -9.058 8.232 4.735 1.00 0.00 N ATOM 232 CA ARG A 16 -8.854 9.478 5.468 1.00 0.00 C ATOM 233 C ARG A 16 -7.423 9.571 5.989 1.00 0.00 C ATOM 234 O ARG A 16 -6.919 10.657 6.276 1.00 0.00 O ATOM 235 CB ARG A 16 -9.843 9.585 6.631 1.00 0.00 C ATOM 236 CG ARG A 16 -9.751 10.898 7.389 1.00 0.00 C ATOM 237 CD ARG A 16 -10.393 12.040 6.614 1.00 0.00 C ATOM 238 NE ARG A 16 -9.463 13.146 6.399 1.00 0.00 N ATOM 239 CZ ARG A 16 -9.840 14.379 6.072 1.00 0.00 C ATOM 240 NH1 ARG A 16 -11.127 14.667 5.920 1.00 0.00 N ATOM 241 NH2 ARG A 16 -8.930 15.326 5.894 1.00 0.00 N ATOM 0 H ARG A 16 -9.550 7.509 5.260 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.028 10.306 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.856 9.467 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.667 8.762 7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.241 10.795 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.705 11.133 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.746 11.671 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.266 12.401 7.157 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.465 12.962 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.831 13.941 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.412 15.614 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.940 15.110 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.220 16.271 5.643 1.00 0.00 H new ATOM 255 N ARG A 17 -6.779 8.419 6.092 1.00 0.00 N ATOM 256 CA ARG A 17 -5.403 8.335 6.561 1.00 0.00 C ATOM 257 C ARG A 17 -4.448 8.658 5.418 1.00 0.00 C ATOM 258 O ARG A 17 -3.451 9.359 5.598 1.00 0.00 O ATOM 259 CB ARG A 17 -5.122 6.931 7.112 1.00 0.00 C ATOM 260 CG ARG A 17 -3.693 6.734 7.583 1.00 0.00 C ATOM 261 CD ARG A 17 -3.612 5.736 8.726 1.00 0.00 C ATOM 262 NE ARG A 17 -2.625 6.131 9.728 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.249 5.356 10.743 1.00 0.00 C ATOM 264 NH1 ARG A 17 -2.775 4.147 10.896 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.342 5.792 11.608 1.00 0.00 N ATOM 0 H ARG A 17 -7.193 7.518 5.854 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.251 9.059 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.799 6.735 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.345 6.196 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.080 6.386 6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.280 7.690 7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.591 5.644 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.355 4.753 8.332 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.199 7.054 9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.472 3.806 10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.482 3.558 11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.934 6.720 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.053 5.199 12.386 1.00 0.00 H new ATOM 279 N LEU A 18 -4.782 8.149 4.240 1.00 0.00 N ATOM 280 CA LEU A 18 -3.992 8.372 3.035 1.00 0.00 C ATOM 281 C LEU A 18 -4.100 9.822 2.585 1.00 0.00 C ATOM 282 O LEU A 18 -3.190 10.372 1.970 1.00 0.00 O ATOM 283 CB LEU A 18 -4.497 7.461 1.926 1.00 0.00 C ATOM 284 CG LEU A 18 -3.941 6.041 1.934 1.00 0.00 C ATOM 285 CD1 LEU A 18 -2.766 5.931 0.984 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.530 5.611 3.333 1.00 0.00 C ATOM 0 H LEU A 18 -5.608 7.570 4.092 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.948 8.150 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.584 7.407 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.258 7.920 0.967 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.733 5.372 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.379 4.912 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.090 6.180 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.982 6.622 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.139 4.594 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.760 6.285 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.396 5.645 3.993 1.00 0.00 H new ATOM 298 N GLN A 19 -5.240 10.419 2.889 1.00 0.00 N ATOM 299 CA GLN A 19 -5.519 11.802 2.514 1.00 0.00 C ATOM 300 C GLN A 19 -5.154 12.789 3.623 1.00 0.00 C ATOM 301 O GLN A 19 -5.135 13.999 3.395 1.00 0.00 O ATOM 302 CB GLN A 19 -6.998 11.958 2.152 1.00 0.00 C ATOM 303 CG GLN A 19 -7.293 11.727 0.679 1.00 0.00 C ATOM 304 CD GLN A 19 -8.751 11.402 0.421 1.00 0.00 C ATOM 305 OE1 GLN A 19 -9.071 10.533 -0.391 1.00 0.00 O ATOM 306 NE2 GLN A 19 -9.645 12.101 1.110 1.00 0.00 N ATOM 0 H GLN A 19 -5.997 9.965 3.400 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.897 12.034 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.584 11.256 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.327 12.960 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.017 12.617 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.672 10.910 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.336 12.812 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.641 11.927 0.977 1.00 0.00 H new ATOM 315 N ALA A 20 -4.865 12.281 4.822 1.00 0.00 N ATOM 316 CA ALA A 20 -4.503 13.146 5.947 1.00 0.00 C ATOM 317 C ALA A 20 -3.467 14.183 5.522 1.00 0.00 C ATOM 318 O ALA A 20 -2.886 14.077 4.441 1.00 0.00 O ATOM 319 CB ALA A 20 -3.976 12.312 7.105 1.00 0.00 C ATOM 0 H ALA A 20 -4.874 11.284 5.039 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.398 13.674 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.711 12.968 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.746 11.611 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.094 11.759 6.783 1.00 0.00 H new ATOM 325 N GLU A 21 -3.229 15.188 6.366 1.00 0.00 N ATOM 326 CA GLU A 21 -2.254 16.224 6.031 1.00 0.00 C ATOM 327 C GLU A 21 -0.840 15.798 6.378 1.00 0.00 C ATOM 328 O GLU A 21 0.120 16.550 6.210 1.00 0.00 O ATOM 329 CB GLU A 21 -2.604 17.550 6.707 1.00 0.00 C ATOM 330 CG GLU A 21 -3.974 18.085 6.322 1.00 0.00 C ATOM 331 CD GLU A 21 -4.302 19.396 7.010 1.00 0.00 C ATOM 332 OE1 GLU A 21 -3.666 19.702 8.040 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.195 20.118 6.517 1.00 0.00 O ATOM 0 H GLU A 21 -3.688 15.305 7.269 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.297 16.371 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.565 17.419 7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.848 18.291 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.015 18.226 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.733 17.346 6.576 1.00 0.00 H new ATOM 340 N GLY A 22 -0.735 14.572 6.817 1.00 0.00 N ATOM 341 CA GLY A 22 0.547 13.986 7.148 1.00 0.00 C ATOM 342 C GLY A 22 1.090 13.156 5.999 1.00 0.00 C ATOM 343 O GLY A 22 2.187 12.603 6.080 1.00 0.00 O ATOM 0 H GLY A 22 -1.530 13.949 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.257 14.776 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.445 13.360 8.034 1.00 0.00 H new ATOM 347 N ASN A 23 0.295 13.051 4.935 1.00 0.00 N ATOM 348 CA ASN A 23 0.660 12.266 3.765 1.00 0.00 C ATOM 349 C ASN A 23 0.960 13.152 2.564 1.00 0.00 C ATOM 350 O ASN A 23 0.055 13.721 1.953 1.00 0.00 O ATOM 351 CB ASN A 23 -0.476 11.295 3.443 1.00 0.00 C ATOM 352 CG ASN A 23 -0.702 10.296 4.558 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.431 10.580 5.725 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.198 9.121 4.206 1.00 0.00 N ATOM 0 H ASN A 23 -0.615 13.507 4.863 1.00 0.00 H new ATOM 0 HA ASN A 23 1.571 11.710 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.394 11.856 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.247 10.762 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.370 8.407 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.408 8.929 3.227 1.00 0.00 H new ATOM 361 N ALA A 24 2.239 13.249 2.224 1.00 0.00 N ATOM 362 CA ALA A 24 2.673 14.046 1.087 1.00 0.00 C ATOM 363 C ALA A 24 3.029 13.137 -0.082 1.00 0.00 C ATOM 364 O ALA A 24 4.202 12.960 -0.411 1.00 0.00 O ATOM 365 CB ALA A 24 3.859 14.918 1.467 1.00 0.00 C ATOM 0 H ALA A 24 2.996 12.782 2.723 1.00 0.00 H new ATOM 0 HA ALA A 24 1.854 14.699 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.169 15.507 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.573 15.587 2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.686 14.286 1.791 1.00 0.00 H new ATOM 371 N THR A 25 2.000 12.561 -0.694 1.00 0.00 N ATOM 372 CA THR A 25 2.161 11.654 -1.821 1.00 0.00 C ATOM 373 C THR A 25 3.069 10.478 -1.471 1.00 0.00 C ATOM 374 O THR A 25 4.072 10.631 -0.775 1.00 0.00 O ATOM 375 CB THR A 25 2.683 12.404 -3.045 1.00 0.00 C ATOM 376 OG1 THR A 25 3.978 12.930 -2.811 1.00 0.00 O ATOM 377 CG2 THR A 25 1.781 13.549 -3.451 1.00 0.00 C ATOM 0 H THR A 25 1.029 12.711 -0.421 1.00 0.00 H new ATOM 0 HA THR A 25 1.179 11.246 -2.061 1.00 0.00 H new ATOM 0 HB THR A 25 2.711 11.670 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.317 12.595 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.198 14.048 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.790 13.164 -3.691 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.704 14.261 -2.629 1.00 0.00 H new ATOM 385 N GLY A 26 2.686 9.293 -1.940 1.00 0.00 N ATOM 386 CA GLY A 26 3.449 8.093 -1.647 1.00 0.00 C ATOM 387 C GLY A 26 3.110 7.528 -0.282 1.00 0.00 C ATOM 388 O GLY A 26 3.548 6.432 0.065 1.00 0.00 O ATOM 0 H GLY A 26 1.859 9.143 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.251 7.341 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.514 8.320 -1.692 1.00 0.00 H new ATOM 392 N ALA A 27 2.305 8.262 0.491 1.00 0.00 N ATOM 393 CA ALA A 27 1.897 7.796 1.807 1.00 0.00 C ATOM 394 C ALA A 27 1.161 6.477 1.655 1.00 0.00 C ATOM 395 O ALA A 27 -0.040 6.440 1.391 1.00 0.00 O ATOM 396 CB ALA A 27 1.027 8.828 2.496 1.00 0.00 C ATOM 0 H ALA A 27 1.929 9.172 0.226 1.00 0.00 H new ATOM 0 HA ALA A 27 2.779 7.646 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.733 8.459 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.585 9.757 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.136 9.011 1.896 1.00 0.00 H new ATOM 402 N PHE A 28 1.916 5.404 1.767 1.00 0.00 N ATOM 403 CA PHE A 28 1.396 4.063 1.588 1.00 0.00 C ATOM 404 C PHE A 28 1.149 3.349 2.915 1.00 0.00 C ATOM 405 O PHE A 28 1.675 3.737 3.957 1.00 0.00 O ATOM 406 CB PHE A 28 2.431 3.278 0.816 1.00 0.00 C ATOM 407 CG PHE A 28 2.214 3.150 -0.659 1.00 0.00 C ATOM 408 CD1 PHE A 28 1.356 2.199 -1.145 1.00 0.00 C ATOM 409 CD2 PHE A 28 2.926 3.925 -1.555 1.00 0.00 C ATOM 410 CE1 PHE A 28 1.197 2.007 -2.499 1.00 0.00 C ATOM 411 CE2 PHE A 28 2.768 3.756 -2.919 1.00 0.00 C ATOM 412 CZ PHE A 28 1.904 2.790 -3.393 1.00 0.00 C ATOM 0 H PHE A 28 2.912 5.437 1.986 1.00 0.00 H new ATOM 0 HA PHE A 28 0.441 4.130 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.403 3.745 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.484 2.275 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.794 1.589 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.614 4.671 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.522 1.247 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.318 4.377 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.781 2.646 -4.456 1.00 0.00 H new ATOM 422 N LEU A 29 0.370 2.278 2.839 1.00 0.00 N ATOM 423 CA LEU A 29 0.057 1.442 3.999 1.00 0.00 C ATOM 424 C LEU A 29 -0.358 0.037 3.569 1.00 0.00 C ATOM 425 O LEU A 29 -1.167 -0.130 2.659 1.00 0.00 O ATOM 426 CB LEU A 29 -1.049 2.051 4.845 1.00 0.00 C ATOM 427 CG LEU A 29 -2.236 2.696 4.100 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.322 2.294 2.628 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.527 2.333 4.801 1.00 0.00 C ATOM 0 H LEU A 29 -0.065 1.961 1.972 1.00 0.00 H new ATOM 0 HA LEU A 29 0.966 1.382 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.443 1.271 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.603 2.809 5.489 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.072 3.773 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.179 2.784 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.410 2.598 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.438 1.213 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.367 2.788 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.646 1.250 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.499 2.700 5.827 1.00 0.00 H new ATOM 441 N ILE A 30 0.157 -0.975 4.236 1.00 0.00 N ATOM 442 CA ILE A 30 -0.214 -2.342 3.886 1.00 0.00 C ATOM 443 C ILE A 30 -1.148 -2.945 4.915 1.00 0.00 C ATOM 444 O ILE A 30 -0.763 -3.181 6.054 1.00 0.00 O ATOM 445 CB ILE A 30 0.994 -3.273 3.726 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.223 -2.506 3.200 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.612 -4.429 2.811 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.264 -2.328 1.697 1.00 0.00 C ATOM 0 H ILE A 30 0.819 -0.888 5.007 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.717 -2.261 2.922 1.00 0.00 H new ATOM 0 HB ILE A 30 1.274 -3.675 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.248 -1.522 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.124 -3.032 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.466 -5.096 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.221 -4.980 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.317 -4.040 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.163 -1.778 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.274 -3.306 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.384 -1.772 1.372 1.00 0.00 H new ATOM 460 N ARG A 31 -2.375 -3.212 4.498 1.00 0.00 N ATOM 461 CA ARG A 31 -3.364 -3.803 5.380 1.00 0.00 C ATOM 462 C ARG A 31 -3.734 -5.192 4.886 1.00 0.00 C ATOM 463 O ARG A 31 -3.231 -5.643 3.857 1.00 0.00 O ATOM 464 CB ARG A 31 -4.615 -2.924 5.435 1.00 0.00 C ATOM 465 CG ARG A 31 -5.389 -2.915 4.130 1.00 0.00 C ATOM 466 CD ARG A 31 -6.283 -1.693 3.998 1.00 0.00 C ATOM 467 NE ARG A 31 -7.687 -2.065 3.835 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.577 -1.340 3.160 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.225 -0.186 2.604 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.826 -1.767 3.046 1.00 0.00 N ATOM 0 H ARG A 31 -2.709 -3.028 3.552 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.940 -3.879 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.266 -3.277 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.325 -1.904 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.689 -2.942 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.998 -3.817 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.173 -1.065 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.962 -1.098 3.143 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.005 -2.934 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.266 0.151 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.913 0.363 2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.104 -2.650 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.509 -1.213 2.529 1.00 0.00 H new ATOM 484 N VAL A 32 -4.622 -5.866 5.603 1.00 0.00 N ATOM 485 CA VAL A 32 -5.040 -7.197 5.194 1.00 0.00 C ATOM 486 C VAL A 32 -6.165 -7.119 4.174 1.00 0.00 C ATOM 487 O VAL A 32 -7.133 -6.380 4.353 1.00 0.00 O ATOM 488 CB VAL A 32 -5.489 -8.053 6.393 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.344 -8.236 7.377 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.696 -7.429 7.078 1.00 0.00 C ATOM 0 H VAL A 32 -5.060 -5.520 6.457 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.173 -7.676 4.740 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.781 -9.036 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.680 -8.843 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.512 -8.734 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.018 -7.262 7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.997 -8.050 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.437 -6.432 7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.520 -7.357 6.368 1.00 0.00 H new ATOM 500 N SER A 33 -6.024 -7.886 3.098 1.00 0.00 N ATOM 501 CA SER A 33 -7.017 -7.909 2.033 1.00 0.00 C ATOM 502 C SER A 33 -8.423 -8.068 2.597 1.00 0.00 C ATOM 503 O SER A 33 -8.885 -9.184 2.833 1.00 0.00 O ATOM 504 CB SER A 33 -6.718 -9.046 1.058 1.00 0.00 C ATOM 505 OG SER A 33 -6.334 -10.221 1.752 1.00 0.00 O ATOM 0 H SER A 33 -5.227 -8.503 2.941 1.00 0.00 H new ATOM 0 HA SER A 33 -6.965 -6.957 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.599 -9.250 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.923 -8.746 0.376 1.00 0.00 H new ATOM 0 HG SER A 33 -6.866 -10.979 1.431 1.00 0.00 H new ATOM 511 N GLU A 34 -9.102 -6.945 2.801 1.00 0.00 N ATOM 512 CA GLU A 34 -10.461 -6.965 3.328 1.00 0.00 C ATOM 513 C GLU A 34 -11.375 -7.786 2.427 1.00 0.00 C ATOM 514 O GLU A 34 -12.448 -8.222 2.842 1.00 0.00 O ATOM 515 CB GLU A 34 -11.000 -5.540 3.474 1.00 0.00 C ATOM 516 CG GLU A 34 -10.745 -4.930 4.842 1.00 0.00 C ATOM 517 CD GLU A 34 -11.427 -5.697 5.959 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.627 -5.452 6.200 1.00 0.00 O ATOM 519 OE2 GLU A 34 -10.759 -6.542 6.591 1.00 0.00 O ATOM 0 H GLU A 34 -8.735 -6.013 2.610 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.438 -7.431 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.543 -4.908 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.073 -5.545 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.671 -4.902 5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.097 -3.898 4.847 1.00 0.00 H new ATOM 526 N LYS A 35 -10.937 -7.989 1.191 1.00 0.00 N ATOM 527 CA LYS A 35 -11.707 -8.757 0.220 1.00 0.00 C ATOM 528 C LYS A 35 -10.864 -9.885 -0.396 1.00 0.00 C ATOM 529 O LYS A 35 -11.225 -11.056 -0.290 1.00 0.00 O ATOM 530 CB LYS A 35 -12.270 -7.843 -0.882 1.00 0.00 C ATOM 531 CG LYS A 35 -11.949 -6.360 -0.702 1.00 0.00 C ATOM 532 CD LYS A 35 -12.596 -5.785 0.546 1.00 0.00 C ATOM 533 CE LYS A 35 -13.681 -4.776 0.199 1.00 0.00 C ATOM 534 NZ LYS A 35 -14.267 -4.146 1.415 1.00 0.00 N ATOM 0 H LYS A 35 -10.050 -7.631 0.836 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.543 -9.212 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.878 -8.172 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.352 -7.965 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.869 -6.227 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.292 -5.806 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.025 -6.592 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.836 -5.306 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.264 -4.002 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.469 -5.272 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.002 -3.466 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.688 -4.881 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.521 -3.651 1.943 1.00 0.00 H new ATOM 548 N PRO A 36 -9.735 -9.553 -1.059 1.00 0.00 N ATOM 549 CA PRO A 36 -8.864 -10.556 -1.695 1.00 0.00 C ATOM 550 C PRO A 36 -8.275 -11.567 -0.709 1.00 0.00 C ATOM 551 O PRO A 36 -7.139 -11.416 -0.261 1.00 0.00 O ATOM 552 CB PRO A 36 -7.739 -9.723 -2.322 1.00 0.00 C ATOM 553 CG PRO A 36 -8.284 -8.342 -2.419 1.00 0.00 C ATOM 554 CD PRO A 36 -9.221 -8.187 -1.260 1.00 0.00 C ATOM 0 HA PRO A 36 -9.427 -11.158 -2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.840 -9.749 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.464 -10.108 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.484 -7.603 -2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.805 -8.193 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.707 -7.815 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.023 -7.483 -1.482 1.00 0.00 H new ATOM 562 N SER A 37 -9.046 -12.610 -0.401 1.00 0.00 N ATOM 563 CA SER A 37 -8.603 -13.673 0.509 1.00 0.00 C ATOM 564 C SER A 37 -7.731 -13.132 1.654 1.00 0.00 C ATOM 565 O SER A 37 -7.963 -12.030 2.148 1.00 0.00 O ATOM 566 CB SER A 37 -7.846 -14.742 -0.285 1.00 0.00 C ATOM 567 OG SER A 37 -8.328 -14.827 -1.615 1.00 0.00 O ATOM 0 H SER A 37 -9.987 -12.744 -0.770 1.00 0.00 H new ATOM 0 HA SER A 37 -9.488 -14.114 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.782 -14.506 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.954 -15.709 0.207 1.00 0.00 H new ATOM 0 HG SER A 37 -7.827 -15.515 -2.101 1.00 0.00 H new ATOM 573 N ALA A 38 -6.732 -13.917 2.073 1.00 0.00 N ATOM 574 CA ALA A 38 -5.837 -13.516 3.157 1.00 0.00 C ATOM 575 C ALA A 38 -4.702 -12.622 2.658 1.00 0.00 C ATOM 576 O ALA A 38 -3.777 -12.311 3.409 1.00 0.00 O ATOM 577 CB ALA A 38 -5.262 -14.745 3.843 1.00 0.00 C ATOM 0 H ALA A 38 -6.525 -14.833 1.676 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.426 -12.940 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.597 -14.434 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.074 -15.346 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.703 -15.338 3.119 1.00 0.00 H new ATOM 583 N ASP A 39 -4.773 -12.212 1.396 1.00 0.00 N ATOM 584 CA ASP A 39 -3.747 -11.354 0.810 1.00 0.00 C ATOM 585 C ASP A 39 -3.615 -10.050 1.599 1.00 0.00 C ATOM 586 O ASP A 39 -4.038 -9.970 2.752 1.00 0.00 O ATOM 587 CB ASP A 39 -4.088 -11.059 -0.654 1.00 0.00 C ATOM 588 CG ASP A 39 -4.531 -12.298 -1.410 1.00 0.00 C ATOM 589 OD1 ASP A 39 -4.274 -13.418 -0.919 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.135 -12.148 -2.492 1.00 0.00 O ATOM 0 H ASP A 39 -5.530 -12.459 0.759 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.791 -11.875 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.879 -10.310 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.216 -10.629 -1.147 1.00 0.00 H new ATOM 595 N TYR A 40 -3.042 -9.025 0.971 1.00 0.00 N ATOM 596 CA TYR A 40 -2.877 -7.730 1.618 1.00 0.00 C ATOM 597 C TYR A 40 -3.176 -6.645 0.628 1.00 0.00 C ATOM 598 O TYR A 40 -2.789 -6.733 -0.526 1.00 0.00 O ATOM 599 CB TYR A 40 -1.454 -7.560 2.181 1.00 0.00 C ATOM 600 CG TYR A 40 -1.352 -7.876 3.656 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.627 -9.152 4.131 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.981 -6.901 4.575 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.535 -9.447 5.477 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.886 -7.189 5.923 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.164 -8.463 6.369 1.00 0.00 C ATOM 606 OH TYR A 40 -1.072 -8.754 7.711 1.00 0.00 O ATOM 0 H TYR A 40 -2.685 -9.068 0.016 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.571 -7.668 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.773 -8.208 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.124 -6.535 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.918 -9.926 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.763 -5.901 4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.753 -10.444 5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.595 -6.420 6.623 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.798 -7.951 8.202 1.00 0.00 H new ATOM 616 N VAL A 41 -3.870 -5.624 1.078 1.00 0.00 N ATOM 617 CA VAL A 41 -4.216 -4.524 0.200 1.00 0.00 C ATOM 618 C VAL A 41 -3.391 -3.309 0.542 1.00 0.00 C ATOM 619 O VAL A 41 -3.251 -2.944 1.709 1.00 0.00 O ATOM 620 CB VAL A 41 -5.715 -4.181 0.251 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.486 -5.122 -0.660 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.243 -4.258 1.677 1.00 0.00 C ATOM 0 H VAL A 41 -4.204 -5.530 2.037 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.994 -4.841 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.853 -3.157 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.547 -4.877 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.125 -5.015 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.339 -6.150 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.305 -4.011 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.102 -5.267 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.701 -3.550 2.304 1.00 0.00 H new ATOM 632 N LEU A 42 -2.821 -2.695 -0.477 1.00 0.00 N ATOM 633 CA LEU A 42 -1.989 -1.538 -0.270 1.00 0.00 C ATOM 634 C LEU A 42 -2.588 -0.300 -0.895 1.00 0.00 C ATOM 635 O LEU A 42 -3.064 -0.321 -2.025 1.00 0.00 O ATOM 636 CB LEU A 42 -0.601 -1.759 -0.845 1.00 0.00 C ATOM 637 CG LEU A 42 0.286 -0.531 -0.758 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.447 -0.115 0.693 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.633 -0.788 -1.400 1.00 0.00 C ATOM 0 H LEU A 42 -2.922 -2.981 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.920 -1.389 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.123 -2.583 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.691 -2.061 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.189 0.283 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.085 0.767 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.531 0.116 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.903 -0.929 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.249 0.108 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.128 -1.613 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.493 -1.044 -2.450 1.00 0.00 H new ATOM 651 N SER A 43 -2.525 0.785 -0.157 1.00 0.00 N ATOM 652 CA SER A 43 -3.031 2.054 -0.636 1.00 0.00 C ATOM 653 C SER A 43 -1.976 3.130 -0.518 1.00 0.00 C ATOM 654 O SER A 43 -1.071 3.048 0.307 1.00 0.00 O ATOM 655 CB SER A 43 -4.299 2.431 0.096 1.00 0.00 C ATOM 656 OG SER A 43 -4.087 3.477 1.023 1.00 0.00 O ATOM 0 H SER A 43 -2.127 0.815 0.782 1.00 0.00 H new ATOM 0 HA SER A 43 -3.278 1.954 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.057 2.735 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.689 1.557 0.619 1.00 0.00 H new ATOM 0 HG SER A 43 -4.623 3.315 1.827 1.00 0.00 H new ATOM 662 N VAL A 44 -2.091 4.119 -1.374 1.00 0.00 N ATOM 663 CA VAL A 44 -1.134 5.229 -1.402 1.00 0.00 C ATOM 664 C VAL A 44 -1.832 6.543 -1.721 1.00 0.00 C ATOM 665 O VAL A 44 -2.693 6.592 -2.600 1.00 0.00 O ATOM 666 CB VAL A 44 -0.053 5.001 -2.467 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.641 5.054 -3.869 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.070 6.014 -2.311 1.00 0.00 C ATOM 0 H VAL A 44 -2.836 4.188 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.679 5.276 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 44 0.361 4.003 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.149 4.889 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.401 4.280 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.093 6.031 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.828 5.838 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.669 7.021 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.519 5.910 -1.323 1.00 0.00 H new ATOM 678 N ARG A 45 -1.442 7.617 -1.045 1.00 0.00 N ATOM 679 CA ARG A 45 -2.035 8.916 -1.327 1.00 0.00 C ATOM 680 C ARG A 45 -1.661 9.346 -2.736 1.00 0.00 C ATOM 681 O ARG A 45 -2.149 10.358 -3.238 1.00 0.00 O ATOM 682 CB ARG A 45 -1.561 9.979 -0.335 1.00 0.00 C ATOM 683 CG ARG A 45 -2.328 11.288 -0.455 1.00 0.00 C ATOM 684 CD ARG A 45 -1.767 12.359 0.463 1.00 0.00 C ATOM 685 NE ARG A 45 -2.539 13.598 0.396 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.403 14.507 -0.567 1.00 0.00 C ATOM 687 NH1 ARG A 45 -1.529 14.319 -1.548 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.144 15.606 -0.551 1.00 0.00 N ATOM 0 H ARG A 45 -0.732 7.616 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.117 8.820 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.666 9.594 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.500 10.170 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.290 11.638 -1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.377 11.117 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.762 11.990 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.731 12.562 0.192 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.223 13.777 1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.957 13.475 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.429 15.019 -2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.819 15.755 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.040 16.302 -1.289 1.00 0.00 H new ATOM 702 N ASP A 46 -0.774 8.570 -3.363 1.00 0.00 N ATOM 703 CA ASP A 46 -0.312 8.873 -4.716 1.00 0.00 C ATOM 704 C ASP A 46 0.023 10.366 -4.826 1.00 0.00 C ATOM 705 O ASP A 46 0.618 10.925 -3.914 1.00 0.00 O ATOM 706 CB ASP A 46 -1.370 8.452 -5.746 1.00 0.00 C ATOM 707 CG ASP A 46 -2.661 9.240 -5.623 1.00 0.00 C ATOM 708 OD1 ASP A 46 -3.470 8.920 -4.728 1.00 0.00 O ATOM 709 OD2 ASP A 46 -2.860 10.178 -6.423 1.00 0.00 O ATOM 0 H ASP A 46 -0.363 7.730 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 46 0.595 8.306 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.965 8.583 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.585 7.390 -5.625 1.00 0.00 H new ATOM 714 N THR A 47 -0.363 11.019 -5.916 1.00 0.00 N ATOM 715 CA THR A 47 -0.091 12.445 -6.069 1.00 0.00 C ATOM 716 C THR A 47 -1.292 13.281 -5.623 1.00 0.00 C ATOM 717 O THR A 47 -1.224 14.508 -5.581 1.00 0.00 O ATOM 718 CB THR A 47 0.268 12.770 -7.520 1.00 0.00 C ATOM 719 OG1 THR A 47 0.512 14.156 -7.677 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.812 12.380 -8.505 1.00 0.00 C ATOM 0 H THR A 47 -0.859 10.592 -6.698 1.00 0.00 H new ATOM 0 HA THR A 47 0.758 12.696 -5.433 1.00 0.00 H new ATOM 0 HB THR A 47 1.162 12.184 -7.735 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.110 14.646 -6.930 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.494 12.638 -9.515 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.990 11.306 -8.444 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.732 12.914 -8.267 1.00 0.00 H new ATOM 728 N GLN A 48 -2.387 12.601 -5.287 1.00 0.00 N ATOM 729 CA GLN A 48 -3.610 13.254 -4.837 1.00 0.00 C ATOM 730 C GLN A 48 -4.689 12.207 -4.583 1.00 0.00 C ATOM 731 O GLN A 48 -4.811 11.241 -5.335 1.00 0.00 O ATOM 732 CB GLN A 48 -4.092 14.274 -5.872 1.00 0.00 C ATOM 733 CG GLN A 48 -3.644 15.697 -5.577 1.00 0.00 C ATOM 734 CD GLN A 48 -4.771 16.704 -5.708 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.731 16.485 -6.448 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.658 17.815 -4.991 1.00 0.00 N ATOM 0 H GLN A 48 -2.449 11.583 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.402 13.786 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.724 13.983 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.181 14.247 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.236 15.743 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.838 15.969 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.845 17.954 -4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.384 18.530 -5.040 1.00 0.00 H new ATOM 745 N ALA A 49 -5.457 12.386 -3.514 1.00 0.00 N ATOM 746 CA ALA A 49 -6.501 11.428 -3.169 1.00 0.00 C ATOM 747 C ALA A 49 -5.873 10.083 -2.830 1.00 0.00 C ATOM 748 O ALA A 49 -4.651 9.971 -2.740 1.00 0.00 O ATOM 749 CB ALA A 49 -7.495 11.284 -4.313 1.00 0.00 C ATOM 0 H ALA A 49 -5.378 13.178 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.043 11.794 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.266 10.565 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.956 12.250 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.975 10.934 -5.205 1.00 0.00 H new ATOM 755 N VAL A 50 -6.700 9.062 -2.639 1.00 0.00 N ATOM 756 CA VAL A 50 -6.183 7.742 -2.307 1.00 0.00 C ATOM 757 C VAL A 50 -6.373 6.749 -3.439 1.00 0.00 C ATOM 758 O VAL A 50 -7.286 6.870 -4.256 1.00 0.00 O ATOM 759 CB VAL A 50 -6.839 7.165 -1.041 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.161 5.858 -0.639 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.785 8.176 0.086 1.00 0.00 C ATOM 0 H VAL A 50 -7.716 9.121 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.117 7.886 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.886 6.950 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.637 5.462 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.256 5.135 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.105 6.042 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.253 7.754 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.746 8.422 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.317 9.080 -0.210 1.00 0.00 H new ATOM 771 N ARG A 51 -5.502 5.755 -3.451 1.00 0.00 N ATOM 772 CA ARG A 51 -5.540 4.697 -4.440 1.00 0.00 C ATOM 773 C ARG A 51 -5.216 3.379 -3.759 1.00 0.00 C ATOM 774 O ARG A 51 -4.065 3.115 -3.415 1.00 0.00 O ATOM 775 CB ARG A 51 -4.543 4.975 -5.567 1.00 0.00 C ATOM 776 CG ARG A 51 -4.717 6.343 -6.207 1.00 0.00 C ATOM 777 CD ARG A 51 -4.187 6.368 -7.632 1.00 0.00 C ATOM 778 NE ARG A 51 -5.215 6.760 -8.594 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.583 8.021 -8.813 1.00 0.00 C ATOM 780 NH1 ARG A 51 -5.016 9.013 -8.139 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.522 8.290 -9.710 1.00 0.00 N ATOM 0 H ARG A 51 -4.747 5.661 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.536 4.648 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.530 4.893 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.650 4.208 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.773 6.613 -6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.196 7.092 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.349 7.062 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.804 5.382 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.678 6.025 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.293 8.812 -7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.303 9.976 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.962 7.531 -10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.805 9.255 -9.879 1.00 0.00 H new ATOM 795 N HIS A 52 -6.235 2.565 -3.533 1.00 0.00 N ATOM 796 CA HIS A 52 -6.038 1.290 -2.865 1.00 0.00 C ATOM 797 C HIS A 52 -5.630 0.227 -3.861 1.00 0.00 C ATOM 798 O HIS A 52 -5.784 0.408 -5.069 1.00 0.00 O ATOM 799 CB HIS A 52 -7.307 0.874 -2.126 1.00 0.00 C ATOM 800 CG HIS A 52 -7.602 1.788 -0.996 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.924 1.714 0.190 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.416 2.865 -0.903 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.284 2.711 0.962 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.196 3.425 0.330 1.00 0.00 N ATOM 0 H HIS A 52 -7.199 2.763 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.236 1.402 -2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.148 0.868 -2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.195 -0.144 -1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.107 3.216 -1.655 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.898 2.914 1.950 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.660 4.256 0.697 1.00 0.00 H new ATOM 813 N TYR A 53 -5.074 -0.865 -3.360 1.00 0.00 N ATOM 814 CA TYR A 53 -4.606 -1.919 -4.235 1.00 0.00 C ATOM 815 C TYR A 53 -4.569 -3.277 -3.547 1.00 0.00 C ATOM 816 O TYR A 53 -4.329 -3.376 -2.348 1.00 0.00 O ATOM 817 CB TYR A 53 -3.217 -1.543 -4.732 1.00 0.00 C ATOM 818 CG TYR A 53 -3.214 -0.257 -5.524 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.424 -0.285 -6.890 1.00 0.00 C ATOM 820 CD2 TYR A 53 -3.017 0.978 -4.912 1.00 0.00 C ATOM 821 CE1 TYR A 53 -3.432 0.875 -7.640 1.00 0.00 C ATOM 822 CE2 TYR A 53 -3.026 2.145 -5.658 1.00 0.00 C ATOM 823 CZ TYR A 53 -3.232 2.086 -7.019 1.00 0.00 C ATOM 824 OH TYR A 53 -3.241 3.245 -7.761 1.00 0.00 O ATOM 0 H TYR A 53 -4.938 -1.040 -2.364 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.305 -2.014 -5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.545 -1.443 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.826 -2.349 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.585 -1.233 -7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.856 1.026 -3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.594 0.831 -8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.872 3.098 -5.174 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.042 3.266 -8.326 1.00 0.00 H new ATOM 834 N LYS A 54 -4.797 -4.320 -4.335 1.00 0.00 N ATOM 835 CA LYS A 54 -4.778 -5.687 -3.840 1.00 0.00 C ATOM 836 C LYS A 54 -3.402 -6.298 -4.053 1.00 0.00 C ATOM 837 O LYS A 54 -2.977 -6.508 -5.187 1.00 0.00 O ATOM 838 CB LYS A 54 -5.831 -6.535 -4.564 1.00 0.00 C ATOM 839 CG LYS A 54 -5.695 -8.033 -4.324 1.00 0.00 C ATOM 840 CD LYS A 54 -6.613 -8.826 -5.240 1.00 0.00 C ATOM 841 CE LYS A 54 -6.237 -8.640 -6.701 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.790 -9.723 -7.561 1.00 0.00 N ATOM 0 H LYS A 54 -4.999 -4.241 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.008 -5.671 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.823 -6.215 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.764 -6.342 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.662 -8.337 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.931 -8.260 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.562 -9.884 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.645 -8.510 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.606 -7.676 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.151 -8.620 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.428 -9.616 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.501 -10.648 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.828 -9.662 -7.571 1.00 0.00 H new ATOM 856 N ILE A 55 -2.728 -6.615 -2.961 1.00 0.00 N ATOM 857 CA ILE A 55 -1.424 -7.239 -3.029 1.00 0.00 C ATOM 858 C ILE A 55 -1.627 -8.733 -2.881 1.00 0.00 C ATOM 859 O ILE A 55 -1.868 -9.229 -1.783 1.00 0.00 O ATOM 860 CB ILE A 55 -0.470 -6.726 -1.930 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.778 -5.276 -1.539 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.975 -6.842 -2.383 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.401 -4.958 -0.110 1.00 0.00 C ATOM 0 H ILE A 55 -3.067 -6.448 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.960 -6.991 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.624 -7.351 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.243 -4.603 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.842 -5.086 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.634 -6.476 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.207 -7.886 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.122 -6.248 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.643 -3.918 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.956 -5.608 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.668 -5.118 0.029 1.00 0.00 H new ATOM 875 N TRP A 56 -1.589 -9.437 -4.000 1.00 0.00 N ATOM 876 CA TRP A 56 -1.841 -10.870 -4.004 1.00 0.00 C ATOM 877 C TRP A 56 -0.596 -11.680 -3.663 1.00 0.00 C ATOM 878 O TRP A 56 0.484 -11.459 -4.212 1.00 0.00 O ATOM 879 CB TRP A 56 -2.398 -11.288 -5.365 1.00 0.00 C ATOM 880 CG TRP A 56 -2.832 -12.721 -5.421 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.034 -13.824 -5.335 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.172 -13.204 -5.578 1.00 0.00 C ATOM 883 NE1 TRP A 56 -2.794 -14.964 -5.428 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.110 -14.610 -5.578 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.416 -12.585 -5.717 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.245 -15.406 -5.711 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.543 -13.376 -5.851 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.450 -14.773 -5.846 1.00 0.00 C ATOM 0 H TRP A 56 -1.386 -9.041 -4.918 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.575 -11.081 -3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.247 -10.650 -5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.638 -11.117 -6.127 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -0.961 -13.804 -5.212 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.437 -15.919 -5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.497 -11.508 -5.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.176 -16.484 -5.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.510 -12.908 -5.961 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.348 -15.363 -5.951 1.00 0.00 H new ATOM 899 N ARG A 57 -0.775 -12.619 -2.738 1.00 0.00 N ATOM 900 CA ARG A 57 0.305 -13.485 -2.283 1.00 0.00 C ATOM 901 C ARG A 57 0.453 -14.698 -3.193 1.00 0.00 C ATOM 902 O ARG A 57 -0.536 -15.299 -3.610 1.00 0.00 O ATOM 903 CB ARG A 57 0.029 -13.944 -0.851 1.00 0.00 C ATOM 904 CG ARG A 57 1.275 -14.064 0.007 1.00 0.00 C ATOM 905 CD ARG A 57 0.930 -14.053 1.489 1.00 0.00 C ATOM 906 NE ARG A 57 2.124 -13.969 2.325 1.00 0.00 N ATOM 907 CZ ARG A 57 2.101 -13.672 3.622 1.00 0.00 C ATOM 908 NH1 ARG A 57 0.949 -13.427 4.235 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.235 -13.620 4.309 1.00 0.00 N ATOM 0 H ARG A 57 -1.671 -12.800 -2.285 1.00 0.00 H new ATOM 0 HA ARG A 57 1.236 -12.918 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.658 -13.241 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.475 -14.910 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.801 -14.986 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.954 -13.241 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.276 -13.207 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.374 -14.957 1.739 1.00 0.00 H new ATOM 0 HE ARG A 57 3.029 -14.148 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.074 -13.466 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.939 -13.200 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.123 -13.808 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.219 -13.392 5.303 1.00 0.00 H new ATOM 923 N ARG A 58 1.696 -15.059 -3.493 1.00 0.00 N ATOM 924 CA ARG A 58 1.972 -16.205 -4.348 1.00 0.00 C ATOM 925 C ARG A 58 2.229 -17.454 -3.511 1.00 0.00 C ATOM 926 O ARG A 58 3.308 -18.044 -3.571 1.00 0.00 O ATOM 927 CB ARG A 58 3.177 -15.915 -5.242 1.00 0.00 C ATOM 928 CG ARG A 58 2.884 -14.920 -6.353 1.00 0.00 C ATOM 929 CD ARG A 58 3.659 -15.251 -7.618 1.00 0.00 C ATOM 930 NE ARG A 58 2.865 -16.041 -8.556 1.00 0.00 N ATOM 931 CZ ARG A 58 3.383 -16.716 -9.580 1.00 0.00 C ATOM 932 NH1 ARG A 58 4.692 -16.701 -9.799 1.00 0.00 N ATOM 933 NH2 ARG A 58 2.591 -17.410 -10.386 1.00 0.00 N ATOM 0 H ARG A 58 2.528 -14.574 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 58 1.099 -16.385 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.991 -15.531 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.524 -16.849 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.816 -14.919 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.142 -13.915 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.977 -14.327 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.563 -15.801 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 58 1.855 -16.078 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.306 -16.171 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.084 -17.220 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.584 -17.427 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.988 -17.927 -11.170 1.00 0.00 H new ATOM 947 N ALA A 59 1.230 -17.847 -2.726 1.00 0.00 N ATOM 948 CA ALA A 59 1.336 -19.024 -1.866 1.00 0.00 C ATOM 949 C ALA A 59 2.146 -18.705 -0.615 1.00 0.00 C ATOM 950 O ALA A 59 2.870 -19.554 -0.096 1.00 0.00 O ATOM 951 CB ALA A 59 1.958 -20.193 -2.620 1.00 0.00 C ATOM 0 H ALA A 59 0.333 -17.365 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 59 0.330 -19.311 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.026 -21.057 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.337 -20.442 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.956 -19.917 -2.960 1.00 0.00 H new ATOM 957 N GLY A 60 2.013 -17.473 -0.139 1.00 0.00 N ATOM 958 CA GLY A 60 2.731 -17.051 1.048 1.00 0.00 C ATOM 959 C GLY A 60 4.224 -16.929 0.817 1.00 0.00 C ATOM 960 O GLY A 60 5.023 -17.399 1.628 1.00 0.00 O ATOM 0 H GLY A 60 1.418 -16.757 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.340 -16.090 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.549 -17.766 1.851 1.00 0.00 H new ATOM 964 N GLY A 61 4.607 -16.299 -0.292 1.00 0.00 N ATOM 965 CA GLY A 61 6.018 -16.138 -0.593 1.00 0.00 C ATOM 966 C GLY A 61 6.281 -15.207 -1.764 1.00 0.00 C ATOM 967 O GLY A 61 7.302 -15.333 -2.440 1.00 0.00 O ATOM 0 H GLY A 61 3.970 -15.900 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.529 -15.753 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.450 -17.115 -0.811 1.00 0.00 H new ATOM 971 N ARG A 62 5.371 -14.264 -2.004 1.00 0.00 N ATOM 972 CA ARG A 62 5.533 -13.311 -3.101 1.00 0.00 C ATOM 973 C ARG A 62 4.296 -12.436 -3.258 1.00 0.00 C ATOM 974 O ARG A 62 3.190 -12.932 -3.473 1.00 0.00 O ATOM 975 CB ARG A 62 5.827 -14.035 -4.419 1.00 0.00 C ATOM 976 CG ARG A 62 7.046 -13.498 -5.152 1.00 0.00 C ATOM 977 CD ARG A 62 7.622 -14.527 -6.109 1.00 0.00 C ATOM 978 NE ARG A 62 9.083 -14.513 -6.115 1.00 0.00 N ATOM 979 CZ ARG A 62 9.826 -15.039 -7.084 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.252 -15.619 -8.132 1.00 0.00 N ATOM 981 NH2 ARG A 62 11.150 -14.984 -7.008 1.00 0.00 N ATOM 0 H ARG A 62 4.519 -14.140 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 62 6.381 -12.673 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.974 -15.096 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.957 -13.953 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.772 -12.599 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.807 -13.207 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.270 -15.520 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.254 -14.331 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 62 9.562 -14.073 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.235 -15.663 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.828 -16.020 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.597 -14.538 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.721 -15.387 -7.751 1.00 0.00 H new ATOM 995 N LEU A 63 4.500 -11.129 -3.161 1.00 0.00 N ATOM 996 CA LEU A 63 3.416 -10.168 -3.303 1.00 0.00 C ATOM 997 C LEU A 63 3.456 -9.531 -4.681 1.00 0.00 C ATOM 998 O LEU A 63 4.530 -9.275 -5.225 1.00 0.00 O ATOM 999 CB LEU A 63 3.510 -9.085 -2.228 1.00 0.00 C ATOM 1000 CG LEU A 63 3.022 -9.519 -0.848 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.530 -9.809 -0.882 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.795 -10.741 -0.377 1.00 0.00 C ATOM 0 H LEU A 63 5.412 -10.709 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 63 2.472 -10.698 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.547 -8.760 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.929 -8.220 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 63 3.198 -8.707 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.197 -10.117 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.991 -8.910 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.331 -10.608 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.437 -11.040 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.646 -11.560 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.857 -10.500 -0.320 1.00 0.00 H new ATOM 1014 N HIS A 64 2.285 -9.277 -5.240 1.00 0.00 N ATOM 1015 CA HIS A 64 2.188 -8.671 -6.556 1.00 0.00 C ATOM 1016 C HIS A 64 0.858 -7.951 -6.716 1.00 0.00 C ATOM 1017 O HIS A 64 -0.172 -8.575 -6.973 1.00 0.00 O ATOM 1018 CB HIS A 64 2.356 -9.733 -7.645 1.00 0.00 C ATOM 1019 CG HIS A 64 1.289 -10.783 -7.639 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.203 -10.756 -8.486 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.151 -11.903 -6.890 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.556 -11.812 -8.260 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.004 -12.526 -7.296 1.00 0.00 N ATOM 0 H HIS A 64 1.387 -9.482 -4.802 1.00 0.00 H new ATOM 0 HA HIS A 64 2.989 -7.939 -6.659 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.364 -9.243 -8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.326 -10.214 -7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.824 -12.243 -6.117 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.474 -12.052 -8.776 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.374 -13.397 -6.915 1.00 0.00 H new ATOM 1032 N LEU A 65 0.884 -6.635 -6.560 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.325 -5.836 -6.684 1.00 0.00 C ATOM 1034 C LEU A 65 -0.854 -5.880 -8.110 1.00 0.00 C ATOM 1035 O LEU A 65 -2.056 -5.767 -8.348 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.059 -4.390 -6.275 1.00 0.00 C ATOM 1037 CG LEU A 65 0.378 -4.200 -4.825 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.874 -4.435 -4.687 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.008 -2.808 -4.340 1.00 0.00 C ATOM 0 H LEU A 65 1.726 -6.100 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.077 -6.258 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.711 -3.979 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.965 -3.808 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.143 -4.930 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.170 -4.296 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.113 -5.452 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.413 -3.726 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.326 -2.687 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.504 -2.062 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.072 -2.675 -4.406 1.00 0.00 H new ATOM 1051 N ASN A 66 0.063 -6.042 -9.049 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.282 -6.100 -10.466 1.00 0.00 C ATOM 1053 C ASN A 66 0.393 -7.286 -11.150 1.00 0.00 C ATOM 1054 O ASN A 66 1.371 -7.834 -10.639 1.00 0.00 O ATOM 1055 CB ASN A 66 0.124 -4.798 -11.160 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.704 -4.520 -12.398 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -0.168 -4.359 -13.495 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -2.021 -4.460 -12.229 1.00 0.00 N ATOM 0 H ASN A 66 1.060 -6.137 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.361 -6.230 -10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.017 -3.968 -10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.177 -4.849 -11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.630 -4.274 -13.026 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.423 -4.600 -11.302 1.00 0.00 H new ATOM 1065 N GLU A 67 -0.126 -7.666 -12.316 1.00 0.00 N ATOM 1066 CA GLU A 67 0.423 -8.780 -13.086 1.00 0.00 C ATOM 1067 C GLU A 67 1.719 -8.374 -13.777 1.00 0.00 C ATOM 1068 O GLU A 67 1.898 -8.586 -14.976 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.596 -9.263 -14.121 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.636 -10.215 -13.552 1.00 0.00 C ATOM 1071 CD GLU A 67 -3.053 -9.819 -13.920 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -3.587 -8.878 -13.296 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -3.628 -10.450 -14.831 1.00 0.00 O ATOM 0 H GLU A 67 -0.931 -7.215 -12.750 1.00 0.00 H new ATOM 0 HA GLU A 67 0.641 -9.596 -12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.103 -8.399 -14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.068 -9.760 -14.935 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.438 -11.223 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.541 -10.244 -12.467 1.00 0.00 H new ATOM 1080 N ALA A 68 2.614 -7.783 -13.001 1.00 0.00 N ATOM 1081 CA ALA A 68 3.904 -7.328 -13.503 1.00 0.00 C ATOM 1082 C ALA A 68 4.872 -7.105 -12.350 1.00 0.00 C ATOM 1083 O ALA A 68 6.064 -7.390 -12.454 1.00 0.00 O ATOM 1084 CB ALA A 68 3.734 -6.043 -14.295 1.00 0.00 C ATOM 0 H ALA A 68 2.469 -7.605 -12.007 1.00 0.00 H new ATOM 0 HA ALA A 68 4.312 -8.097 -14.159 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.705 -5.713 -14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.066 -6.221 -15.138 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.310 -5.272 -13.651 1.00 0.00 H new ATOM 1090 N VAL A 69 4.336 -6.590 -11.251 1.00 0.00 N ATOM 1091 CA VAL A 69 5.125 -6.315 -10.059 1.00 0.00 C ATOM 1092 C VAL A 69 5.000 -7.463 -9.062 1.00 0.00 C ATOM 1093 O VAL A 69 3.915 -7.732 -8.555 1.00 0.00 O ATOM 1094 CB VAL A 69 4.668 -4.997 -9.391 1.00 0.00 C ATOM 1095 CG1 VAL A 69 3.148 -4.918 -9.349 1.00 0.00 C ATOM 1096 CG2 VAL A 69 5.254 -4.859 -7.995 1.00 0.00 C ATOM 0 H VAL A 69 3.348 -6.353 -11.161 1.00 0.00 H new ATOM 0 HA VAL A 69 6.167 -6.214 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 69 5.039 -4.167 -9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.845 -3.984 -8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.754 -4.955 -10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.756 -5.759 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.916 -3.923 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.924 -5.695 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.342 -4.860 -8.056 1.00 0.00 H new ATOM 1106 N SER A 70 6.112 -8.141 -8.790 1.00 0.00 N ATOM 1107 CA SER A 70 6.105 -9.263 -7.855 1.00 0.00 C ATOM 1108 C SER A 70 7.328 -9.232 -6.939 1.00 0.00 C ATOM 1109 O SER A 70 8.444 -8.966 -7.386 1.00 0.00 O ATOM 1110 CB SER A 70 6.064 -10.587 -8.619 1.00 0.00 C ATOM 1111 OG SER A 70 7.127 -10.672 -9.553 1.00 0.00 O ATOM 0 H SER A 70 7.023 -7.935 -9.200 1.00 0.00 H new ATOM 0 HA SER A 70 5.213 -9.174 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.126 -11.418 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.111 -10.681 -9.139 1.00 0.00 H new ATOM 0 HG SER A 70 7.079 -11.529 -10.027 1.00 0.00 H new ATOM 1117 N PHE A 71 7.110 -9.511 -5.655 1.00 0.00 N ATOM 1118 CA PHE A 71 8.197 -9.522 -4.679 1.00 0.00 C ATOM 1119 C PHE A 71 7.871 -10.418 -3.488 1.00 0.00 C ATOM 1120 O PHE A 71 6.848 -10.253 -2.828 1.00 0.00 O ATOM 1121 CB PHE A 71 8.516 -8.102 -4.206 1.00 0.00 C ATOM 1122 CG PHE A 71 9.971 -7.737 -4.344 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.960 -8.702 -4.221 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.351 -6.427 -4.596 1.00 0.00 C ATOM 1125 CE1 PHE A 71 12.295 -8.370 -4.347 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.686 -6.089 -4.724 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.658 -7.062 -4.599 1.00 0.00 C ATOM 0 H PHE A 71 6.193 -9.732 -5.267 1.00 0.00 H new ATOM 0 HA PHE A 71 9.077 -9.931 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.916 -7.394 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.221 -8.000 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.682 -9.727 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.595 -5.662 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.054 -9.132 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.968 -5.065 -4.921 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.701 -6.800 -4.698 1.00 0.00 H new ATOM 1137 N LEU A 72 8.776 -11.362 -3.240 1.00 0.00 N ATOM 1138 CA LEU A 72 8.674 -12.333 -2.145 1.00 0.00 C ATOM 1139 C LEU A 72 7.777 -11.875 -0.991 1.00 0.00 C ATOM 1140 O LEU A 72 6.983 -12.661 -0.473 1.00 0.00 O ATOM 1141 CB LEU A 72 10.073 -12.619 -1.608 1.00 0.00 C ATOM 1142 CG LEU A 72 10.974 -11.386 -1.504 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.796 -10.710 -0.150 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.428 -11.768 -1.727 1.00 0.00 C ATOM 0 H LEU A 72 9.618 -11.478 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 72 8.210 -13.228 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.984 -13.074 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.554 -13.352 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 72 10.684 -10.679 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.444 -9.835 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.757 -10.401 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.059 -11.409 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.054 -10.879 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.733 -12.494 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.541 -12.206 -2.719 1.00 0.00 H new ATOM 1156 N SER A 73 7.917 -10.622 -0.571 1.00 0.00 N ATOM 1157 CA SER A 73 7.125 -10.108 0.540 1.00 0.00 C ATOM 1158 C SER A 73 6.771 -8.639 0.355 1.00 0.00 C ATOM 1159 O SER A 73 7.331 -7.957 -0.504 1.00 0.00 O ATOM 1160 CB SER A 73 7.887 -10.295 1.853 1.00 0.00 C ATOM 1161 OG SER A 73 7.009 -10.240 2.964 1.00 0.00 O ATOM 0 H SER A 73 8.566 -9.949 -0.979 1.00 0.00 H new ATOM 0 HA SER A 73 6.193 -10.673 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.406 -11.253 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.649 -9.521 1.949 1.00 0.00 H new ATOM 0 HG SER A 73 7.520 -10.364 3.791 1.00 0.00 H new ATOM 1167 N LEU A 74 5.839 -8.155 1.176 1.00 0.00 N ATOM 1168 CA LEU A 74 5.414 -6.762 1.111 1.00 0.00 C ATOM 1169 C LEU A 74 6.621 -5.828 1.171 1.00 0.00 C ATOM 1170 O LEU A 74 6.776 -4.947 0.329 1.00 0.00 O ATOM 1171 CB LEU A 74 4.463 -6.424 2.261 1.00 0.00 C ATOM 1172 CG LEU A 74 3.075 -5.925 1.845 1.00 0.00 C ATOM 1173 CD1 LEU A 74 3.128 -5.194 0.508 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.089 -7.081 1.784 1.00 0.00 C ATOM 0 H LEU A 74 5.366 -8.708 1.891 1.00 0.00 H new ATOM 0 HA LEU A 74 4.892 -6.622 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.340 -7.312 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.932 -5.663 2.885 1.00 0.00 H new ATOM 0 HG LEU A 74 2.734 -5.216 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.128 -4.852 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.795 -4.336 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.499 -5.871 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.109 -6.708 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.434 -7.815 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.017 -7.550 2.765 1.00 0.00 H new ATOM 1186 N PRO A 75 7.497 -6.015 2.181 1.00 0.00 N ATOM 1187 CA PRO A 75 8.695 -5.191 2.353 1.00 0.00 C ATOM 1188 C PRO A 75 9.407 -4.938 1.032 1.00 0.00 C ATOM 1189 O PRO A 75 9.644 -3.792 0.650 1.00 0.00 O ATOM 1190 CB PRO A 75 9.564 -6.036 3.280 1.00 0.00 C ATOM 1191 CG PRO A 75 8.594 -6.816 4.101 1.00 0.00 C ATOM 1192 CD PRO A 75 7.387 -7.049 3.230 1.00 0.00 C ATOM 0 HA PRO A 75 8.467 -4.201 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.223 -6.694 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.200 -5.410 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.030 -7.762 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.321 -6.269 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.391 -8.052 2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.461 -6.946 3.796 1.00 0.00 H new ATOM 1200 N GLU A 76 9.729 -6.017 0.329 1.00 0.00 N ATOM 1201 CA GLU A 76 10.392 -5.912 -0.960 1.00 0.00 C ATOM 1202 C GLU A 76 9.433 -5.324 -1.985 1.00 0.00 C ATOM 1203 O GLU A 76 9.789 -4.424 -2.745 1.00 0.00 O ATOM 1204 CB GLU A 76 10.884 -7.283 -1.416 1.00 0.00 C ATOM 1205 CG GLU A 76 11.854 -7.935 -0.445 1.00 0.00 C ATOM 1206 CD GLU A 76 13.021 -7.033 -0.092 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.841 -6.130 0.751 1.00 0.00 O ATOM 1208 OE2 GLU A 76 14.117 -7.231 -0.661 1.00 0.00 O ATOM 0 H GLU A 76 9.541 -6.973 0.631 1.00 0.00 H new ATOM 0 HA GLU A 76 11.255 -5.253 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.025 -7.940 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.368 -7.181 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.322 -8.208 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.233 -8.859 -0.881 1.00 0.00 H new ATOM 1215 N LEU A 77 8.204 -5.832 -1.983 1.00 0.00 N ATOM 1216 CA LEU A 77 7.172 -5.352 -2.896 1.00 0.00 C ATOM 1217 C LEU A 77 7.010 -3.840 -2.755 1.00 0.00 C ATOM 1218 O LEU A 77 6.704 -3.140 -3.721 1.00 0.00 O ATOM 1219 CB LEU A 77 5.845 -6.072 -2.612 1.00 0.00 C ATOM 1220 CG LEU A 77 4.579 -5.412 -3.178 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.108 -4.285 -2.268 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.813 -4.903 -4.595 1.00 0.00 C ATOM 0 H LEU A 77 7.898 -6.578 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 77 7.470 -5.571 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.912 -7.084 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.730 -6.164 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 77 3.795 -6.168 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.210 -3.830 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.885 -4.685 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.892 -3.532 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.900 -4.441 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.617 -4.167 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.089 -5.737 -5.240 1.00 0.00 H new ATOM 1234 N VAL A 78 7.239 -3.345 -1.542 1.00 0.00 N ATOM 1235 CA VAL A 78 7.143 -1.920 -1.258 1.00 0.00 C ATOM 1236 C VAL A 78 8.423 -1.218 -1.700 1.00 0.00 C ATOM 1237 O VAL A 78 8.389 -0.090 -2.190 1.00 0.00 O ATOM 1238 CB VAL A 78 6.877 -1.674 0.251 1.00 0.00 C ATOM 1239 CG1 VAL A 78 7.174 -0.235 0.666 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.438 -2.035 0.591 1.00 0.00 C ATOM 0 H VAL A 78 7.494 -3.916 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 78 6.303 -1.508 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 78 7.557 -2.316 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.972 -0.114 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.221 -0.008 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.541 0.446 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.260 -1.859 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.759 -1.418 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.263 -3.086 0.363 1.00 0.00 H new ATOM 1250 N ASN A 79 9.551 -1.905 -1.540 1.00 0.00 N ATOM 1251 CA ASN A 79 10.839 -1.355 -1.940 1.00 0.00 C ATOM 1252 C ASN A 79 10.875 -1.151 -3.450 1.00 0.00 C ATOM 1253 O ASN A 79 11.415 -0.162 -3.943 1.00 0.00 O ATOM 1254 CB ASN A 79 11.974 -2.286 -1.507 1.00 0.00 C ATOM 1255 CG ASN A 79 13.134 -1.533 -0.883 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.635 -1.908 0.176 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.566 -0.464 -1.541 1.00 0.00 N ATOM 0 H ASN A 79 9.597 -2.841 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 79 10.974 -0.391 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.590 -3.014 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.331 -2.846 -2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.344 0.083 -1.171 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.120 -0.189 -2.416 1.00 0.00 H new ATOM 1264 N TYR A 80 10.280 -2.094 -4.176 1.00 0.00 N ATOM 1265 CA TYR A 80 10.226 -2.022 -5.630 1.00 0.00 C ATOM 1266 C TYR A 80 9.211 -0.973 -6.068 1.00 0.00 C ATOM 1267 O TYR A 80 9.419 -0.262 -7.050 1.00 0.00 O ATOM 1268 CB TYR A 80 9.855 -3.385 -6.217 1.00 0.00 C ATOM 1269 CG TYR A 80 9.883 -3.425 -7.729 1.00 0.00 C ATOM 1270 CD1 TYR A 80 11.021 -3.051 -8.431 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.770 -3.837 -8.452 1.00 0.00 C ATOM 1272 CE1 TYR A 80 11.050 -3.088 -9.812 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.793 -3.878 -9.833 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.934 -3.502 -10.508 1.00 0.00 C ATOM 1275 OH TYR A 80 9.960 -3.541 -11.884 1.00 0.00 O ATOM 0 H TYR A 80 9.828 -2.918 -3.778 1.00 0.00 H new ATOM 0 HA TYR A 80 11.211 -1.737 -6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.543 -4.137 -5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.857 -3.659 -5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.897 -2.726 -7.889 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.873 -4.130 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.943 -2.794 -10.344 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.921 -4.203 -10.381 1.00 0.00 H new ATOM 0 HH TYR A 80 9.094 -3.856 -12.219 1.00 0.00 H new ATOM 1285 N HIS A 81 8.112 -0.881 -5.324 1.00 0.00 N ATOM 1286 CA HIS A 81 7.065 0.085 -5.627 1.00 0.00 C ATOM 1287 C HIS A 81 7.605 1.508 -5.526 1.00 0.00 C ATOM 1288 O HIS A 81 7.160 2.404 -6.244 1.00 0.00 O ATOM 1289 CB HIS A 81 5.881 -0.085 -4.666 1.00 0.00 C ATOM 1290 CG HIS A 81 4.662 -0.679 -5.300 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.359 -0.529 -6.635 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.662 -1.426 -4.770 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.229 -1.158 -6.903 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.787 -1.710 -5.789 1.00 0.00 N ATOM 0 H HIS A 81 7.925 -1.464 -4.508 1.00 0.00 H new ATOM 0 HA HIS A 81 6.724 -0.095 -6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.190 -0.718 -3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.623 0.888 -4.248 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.920 -0.012 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.571 -1.739 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.749 -1.211 -7.869 1.00 0.00 H new ATOM 1303 N ARG A 82 8.564 1.710 -4.625 1.00 0.00 N ATOM 1304 CA ARG A 82 9.156 3.027 -4.428 1.00 0.00 C ATOM 1305 C ARG A 82 10.002 3.432 -5.616 1.00 0.00 C ATOM 1306 O ARG A 82 9.876 4.534 -6.145 1.00 0.00 O ATOM 1307 CB ARG A 82 9.994 3.053 -3.146 1.00 0.00 C ATOM 1308 CG ARG A 82 10.689 4.383 -2.897 1.00 0.00 C ATOM 1309 CD ARG A 82 10.773 4.702 -1.412 1.00 0.00 C ATOM 1310 NE ARG A 82 12.152 4.695 -0.929 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.839 3.586 -0.663 1.00 0.00 C ATOM 1312 NH1 ARG A 82 12.280 2.394 -0.832 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.088 3.670 -0.227 1.00 0.00 N ATOM 0 H ARG A 82 8.945 0.980 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 82 8.343 3.746 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.350 2.825 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.745 2.265 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.693 4.355 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.149 5.178 -3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.328 5.679 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.188 3.973 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 82 12.616 5.592 -0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.319 2.324 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.811 1.548 -0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.522 4.584 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.615 2.821 -0.023 1.00 0.00 H new ATOM 1327 N ALA A 83 10.858 2.531 -6.029 1.00 0.00 N ATOM 1328 CA ALA A 83 11.726 2.782 -7.162 1.00 0.00 C ATOM 1329 C ALA A 83 10.902 2.835 -8.438 1.00 0.00 C ATOM 1330 O ALA A 83 10.856 3.853 -9.129 1.00 0.00 O ATOM 1331 CB ALA A 83 12.797 1.707 -7.261 1.00 0.00 C ATOM 0 H ALA A 83 10.976 1.614 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 83 12.222 3.742 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.440 1.911 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.396 1.705 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.324 0.733 -7.387 1.00 0.00 H new ATOM 1337 N GLN A 84 10.251 1.719 -8.737 1.00 0.00 N ATOM 1338 CA GLN A 84 9.414 1.607 -9.925 1.00 0.00 C ATOM 1339 C GLN A 84 7.939 1.840 -9.606 1.00 0.00 C ATOM 1340 O GLN A 84 7.429 1.358 -8.595 1.00 0.00 O ATOM 1341 CB GLN A 84 9.594 0.233 -10.573 1.00 0.00 C ATOM 1342 CG GLN A 84 9.443 0.249 -12.085 1.00 0.00 C ATOM 1343 CD GLN A 84 10.761 0.037 -12.806 1.00 0.00 C ATOM 1344 OE1 GLN A 84 11.241 0.919 -13.518 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.354 -1.137 -12.624 1.00 0.00 N ATOM 0 H GLN A 84 10.287 0.873 -8.169 1.00 0.00 H new ATOM 0 HA GLN A 84 9.732 2.383 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.581 -0.153 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.864 -0.457 -10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.740 -0.529 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.014 1.202 -12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.921 -1.840 -12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.243 -1.336 -13.083 1.00 0.00 H new ATOM 1354 N SER A 85 7.253 2.554 -10.492 1.00 0.00 N ATOM 1355 CA SER A 85 5.827 2.818 -10.325 1.00 0.00 C ATOM 1356 C SER A 85 5.019 1.786 -11.109 1.00 0.00 C ATOM 1357 O SER A 85 4.088 2.129 -11.838 1.00 0.00 O ATOM 1358 CB SER A 85 5.480 4.232 -10.800 1.00 0.00 C ATOM 1359 OG SER A 85 6.241 4.587 -11.942 1.00 0.00 O ATOM 0 H SER A 85 7.661 2.961 -11.334 1.00 0.00 H new ATOM 0 HA SER A 85 5.577 2.743 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.417 4.290 -11.035 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.668 4.945 -9.997 1.00 0.00 H new ATOM 0 HG SER A 85 6.000 5.493 -12.227 1.00 0.00 H new ATOM 1365 N LEU A 86 5.407 0.520 -10.969 1.00 0.00 N ATOM 1366 CA LEU A 86 4.754 -0.582 -11.673 1.00 0.00 C ATOM 1367 C LEU A 86 3.230 -0.489 -11.620 1.00 0.00 C ATOM 1368 O LEU A 86 2.608 -0.836 -10.616 1.00 0.00 O ATOM 1369 CB LEU A 86 5.218 -1.923 -11.098 1.00 0.00 C ATOM 1370 CG LEU A 86 5.699 -2.937 -12.138 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.568 -3.307 -13.084 1.00 0.00 C ATOM 1372 CD2 LEU A 86 6.886 -2.383 -12.912 1.00 0.00 C ATOM 0 H LEU A 86 6.178 0.230 -10.368 1.00 0.00 H new ATOM 0 HA LEU A 86 5.045 -0.510 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.026 -1.738 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.396 -2.364 -10.534 1.00 0.00 H new ATOM 0 HG LEU A 86 6.020 -3.840 -11.618 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.928 -4.029 -13.817 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.747 -3.745 -12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.217 -2.413 -13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.215 -3.117 -13.647 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.592 -1.466 -13.422 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.702 -2.169 -12.222 1.00 0.00 H new ATOM 1384 N SER A 87 2.645 -0.040 -12.729 1.00 0.00 N ATOM 1385 CA SER A 87 1.193 0.090 -12.864 1.00 0.00 C ATOM 1386 C SER A 87 0.515 0.548 -11.573 1.00 0.00 C ATOM 1387 O SER A 87 -0.624 0.172 -11.298 1.00 0.00 O ATOM 1388 CB SER A 87 0.590 -1.241 -13.315 1.00 0.00 C ATOM 1389 OG SER A 87 0.793 -1.449 -14.701 1.00 0.00 O ATOM 0 H SER A 87 3.163 0.244 -13.560 1.00 0.00 H new ATOM 0 HA SER A 87 1.013 0.860 -13.614 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.041 -2.058 -12.752 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.477 -1.253 -13.095 1.00 0.00 H new ATOM 0 HG SER A 87 0.400 -2.307 -14.964 1.00 0.00 H new ATOM 1395 N HIS A 88 1.205 1.370 -10.787 1.00 0.00 N ATOM 1396 CA HIS A 88 0.635 1.872 -9.543 1.00 0.00 C ATOM 1397 C HIS A 88 0.546 3.398 -9.567 1.00 0.00 C ATOM 1398 O HIS A 88 1.419 4.076 -10.109 1.00 0.00 O ATOM 1399 CB HIS A 88 1.445 1.390 -8.333 1.00 0.00 C ATOM 1400 CG HIS A 88 0.758 1.640 -7.029 1.00 0.00 C ATOM 1401 ND1 HIS A 88 0.547 0.655 -6.092 1.00 0.00 N ATOM 1402 CD2 HIS A 88 0.217 2.767 -6.509 1.00 0.00 C ATOM 1403 CE1 HIS A 88 -0.093 1.169 -5.059 1.00 0.00 C ATOM 1404 NE2 HIS A 88 -0.306 2.444 -5.288 1.00 0.00 N ATOM 0 H HIS A 88 2.149 1.699 -10.987 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.375 1.474 -9.449 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.639 0.322 -8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.413 1.891 -8.329 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.839 -0.318 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.202 3.742 -6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.392 0.630 -4.172 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.533 3.923 -8.990 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.767 5.361 -8.954 1.00 0.00 C ATOM 1415 C GLY A 89 0.476 6.194 -8.687 1.00 0.00 C ATOM 1416 O GLY A 89 0.561 7.339 -9.129 1.00 0.00 O ATOM 0 H GLY A 89 -1.261 3.369 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.199 5.670 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.507 5.577 -8.183 1.00 0.00 H new ATOM 1420 N LEU A 90 1.435 5.635 -7.959 1.00 0.00 N ATOM 1421 CA LEU A 90 2.658 6.358 -7.637 1.00 0.00 C ATOM 1422 C LEU A 90 3.692 5.430 -7.012 1.00 0.00 C ATOM 1423 O LEU A 90 3.438 4.243 -6.811 1.00 0.00 O ATOM 1424 CB LEU A 90 2.348 7.513 -6.681 1.00 0.00 C ATOM 1425 CG LEU A 90 3.214 8.764 -6.866 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.396 9.898 -7.465 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.825 9.191 -5.538 1.00 0.00 C ATOM 0 H LEU A 90 1.390 4.688 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 90 3.071 6.758 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.302 7.794 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.465 7.158 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 90 4.022 8.522 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.029 10.777 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.006 9.592 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.566 10.139 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.437 10.081 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.030 9.413 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.446 8.385 -5.148 1.00 0.00 H new ATOM 1439 N ARG A 91 4.859 5.984 -6.708 1.00 0.00 N ATOM 1440 CA ARG A 91 5.938 5.214 -6.104 1.00 0.00 C ATOM 1441 C ARG A 91 5.936 5.361 -4.584 1.00 0.00 C ATOM 1442 O ARG A 91 5.750 6.458 -4.056 1.00 0.00 O ATOM 1443 CB ARG A 91 7.286 5.677 -6.661 1.00 0.00 C ATOM 1444 CG ARG A 91 7.726 4.935 -7.910 1.00 0.00 C ATOM 1445 CD ARG A 91 8.628 5.801 -8.774 1.00 0.00 C ATOM 1446 NE ARG A 91 8.455 5.529 -10.198 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.026 6.244 -11.165 1.00 0.00 C ATOM 1448 NH1 ARG A 91 9.803 7.277 -10.864 1.00 0.00 N ATOM 1449 NH2 ARG A 91 8.818 5.927 -12.435 1.00 0.00 N ATOM 0 H ARG A 91 5.082 6.966 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 91 5.781 4.164 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.228 6.742 -6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.047 5.554 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.254 4.024 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.850 4.632 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.416 6.852 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.668 5.629 -8.497 1.00 0.00 H new ATOM 0 HE ARG A 91 7.861 4.745 -10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.965 7.526 -9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.238 7.822 -11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.220 5.135 -12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.256 6.475 -13.176 1.00 0.00 H new ATOM 1463 N LEU A 92 6.161 4.250 -3.887 1.00 0.00 N ATOM 1464 CA LEU A 92 6.205 4.248 -2.425 1.00 0.00 C ATOM 1465 C LEU A 92 7.079 5.392 -1.909 1.00 0.00 C ATOM 1466 O LEU A 92 8.193 5.590 -2.392 1.00 0.00 O ATOM 1467 CB LEU A 92 6.761 2.920 -1.929 1.00 0.00 C ATOM 1468 CG LEU A 92 5.743 1.975 -1.287 1.00 0.00 C ATOM 1469 CD1 LEU A 92 5.169 2.589 -0.024 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.628 1.620 -2.262 1.00 0.00 C ATOM 0 H LEU A 92 6.316 3.336 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 92 5.191 4.385 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.228 2.406 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.548 3.125 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 92 6.262 1.054 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.447 1.903 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.973 2.778 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.674 3.528 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.921 0.947 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.111 2.529 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.053 1.129 -3.138 1.00 0.00 H new ATOM 1482 N ALA A 93 6.579 6.141 -0.931 1.00 0.00 N ATOM 1483 CA ALA A 93 7.342 7.256 -0.375 1.00 0.00 C ATOM 1484 C ALA A 93 7.519 7.129 1.136 1.00 0.00 C ATOM 1485 O ALA A 93 8.594 6.763 1.613 1.00 0.00 O ATOM 1486 CB ALA A 93 6.678 8.580 -0.722 1.00 0.00 C ATOM 0 H ALA A 93 5.660 6.000 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 93 8.335 7.228 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.259 9.400 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.629 8.690 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.669 8.600 -0.309 1.00 0.00 H new ATOM 1492 N ALA A 94 6.468 7.443 1.886 1.00 0.00 N ATOM 1493 CA ALA A 94 6.525 7.376 3.342 1.00 0.00 C ATOM 1494 C ALA A 94 5.294 6.678 3.917 1.00 0.00 C ATOM 1495 O ALA A 94 4.357 6.356 3.188 1.00 0.00 O ATOM 1496 CB ALA A 94 6.650 8.779 3.919 1.00 0.00 C ATOM 0 H ALA A 94 5.569 7.746 1.511 1.00 0.00 H new ATOM 0 HA ALA A 94 7.401 6.790 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.692 8.723 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.560 9.247 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.787 9.374 3.620 1.00 0.00 H new ATOM 1502 N PRO A 95 5.279 6.440 5.242 1.00 0.00 N ATOM 1503 CA PRO A 95 4.153 5.786 5.908 1.00 0.00 C ATOM 1504 C PRO A 95 2.965 6.726 6.068 1.00 0.00 C ATOM 1505 O PRO A 95 3.136 7.922 6.311 1.00 0.00 O ATOM 1506 CB PRO A 95 4.719 5.407 7.276 1.00 0.00 C ATOM 1507 CG PRO A 95 5.796 6.404 7.535 1.00 0.00 C ATOM 1508 CD PRO A 95 6.355 6.793 6.190 1.00 0.00 C ATOM 0 HA PRO A 95 3.777 4.935 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.949 5.447 8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.114 4.391 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.400 7.275 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.574 5.979 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.591 7.856 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.276 6.253 5.969 1.00 0.00 H new ATOM 1516 N CYS A 96 1.762 6.184 5.929 1.00 0.00 N ATOM 1517 CA CYS A 96 0.550 6.981 6.058 1.00 0.00 C ATOM 1518 C CYS A 96 0.483 7.655 7.425 1.00 0.00 C ATOM 1519 O CYS A 96 1.130 7.217 8.377 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.684 6.104 5.841 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.952 4.870 7.135 1.00 0.00 S ATOM 0 H CYS A 96 1.600 5.197 5.727 1.00 0.00 H new ATOM 0 HA CYS A 96 0.571 7.759 5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.564 6.744 5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.590 5.594 4.882 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.279 5.201 8.197 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.300 8.725 7.515 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.447 9.460 8.766 1.00 0.00 C ATOM 1529 C ARG A 97 -1.917 9.743 9.062 1.00 0.00 C ATOM 1530 O ARG A 97 -2.674 10.141 8.177 1.00 0.00 O ATOM 1531 CB ARG A 97 0.338 10.773 8.703 1.00 0.00 C ATOM 1532 CG ARG A 97 1.613 10.760 9.532 1.00 0.00 C ATOM 1533 CD ARG A 97 2.021 12.165 9.949 1.00 0.00 C ATOM 1534 NE ARG A 97 3.346 12.191 10.563 1.00 0.00 N ATOM 1535 CZ ARG A 97 4.483 12.166 9.872 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.462 12.111 8.546 1.00 0.00 N ATOM 1537 NH2 ARG A 97 5.646 12.195 10.509 1.00 0.00 N ATOM 0 H ARG A 97 -0.842 9.102 6.738 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.047 8.844 9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.592 10.985 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.301 11.586 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.465 10.144 10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.418 10.302 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.013 12.819 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.288 12.562 10.652 1.00 0.00 H new ATOM 0 HE ARG A 97 3.403 12.231 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.571 12.088 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.337 12.092 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.669 12.236 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.518 12.176 9.980 1.00 0.00 H new ATOM 1551 N LYS A 98 -2.313 9.535 10.314 1.00 0.00 N ATOM 1552 CA LYS A 98 -3.692 9.769 10.728 1.00 0.00 C ATOM 1553 C LYS A 98 -3.781 10.970 11.665 1.00 0.00 C ATOM 1554 O LYS A 98 -2.764 11.554 12.040 1.00 0.00 O ATOM 1555 CB LYS A 98 -4.256 8.525 11.419 1.00 0.00 C ATOM 1556 CG LYS A 98 -5.680 8.191 11.002 1.00 0.00 C ATOM 1557 CD LYS A 98 -6.429 7.468 12.109 1.00 0.00 C ATOM 1558 CE LYS A 98 -7.039 8.445 13.102 1.00 0.00 C ATOM 1559 NZ LYS A 98 -6.943 7.946 14.501 1.00 0.00 N ATOM 0 H LYS A 98 -1.699 9.205 11.059 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.283 9.981 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.612 7.674 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.228 8.675 12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.209 9.108 10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.662 7.569 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.216 6.851 11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.748 6.795 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.532 9.407 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.085 8.615 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.370 8.640 15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.449 7.041 14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.943 7.808 14.752 1.00 0.00 H new ATOM 1573 N HIS A 99 -5.004 11.334 12.038 1.00 0.00 N ATOM 1574 CA HIS A 99 -5.225 12.466 12.931 1.00 0.00 C ATOM 1575 C HIS A 99 -5.754 11.997 14.283 1.00 0.00 C ATOM 1576 O HIS A 99 -5.747 10.803 14.583 1.00 0.00 O ATOM 1577 CB HIS A 99 -6.206 13.457 12.298 1.00 0.00 C ATOM 1578 CG HIS A 99 -5.749 14.881 12.374 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -6.610 15.938 12.581 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -4.512 15.421 12.269 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -5.923 17.066 12.600 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -4.647 16.780 12.413 1.00 0.00 N ATOM 0 H HIS A 99 -5.856 10.862 11.736 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.269 12.965 13.090 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.358 13.188 11.253 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.172 13.367 12.794 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.590 14.883 12.103 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.335 18.054 12.744 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.886 17.458 12.381 1.00 0.00 H new ATOM 1591 N GLU A 100 -6.212 12.944 15.095 1.00 0.00 N ATOM 1592 CA GLU A 100 -6.744 12.627 16.416 1.00 0.00 C ATOM 1593 C GLU A 100 -5.670 12.001 17.301 1.00 0.00 C ATOM 1594 O GLU A 100 -4.473 12.220 17.020 1.00 0.00 O ATOM 1595 CB GLU A 100 -7.941 11.680 16.293 1.00 0.00 C ATOM 1596 CG GLU A 100 -9.145 12.112 17.114 1.00 0.00 C ATOM 1597 CD GLU A 100 -10.255 12.691 16.260 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -10.682 12.014 15.301 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -10.699 13.822 16.550 1.00 0.00 O ATOM 1600 OXT GLU A 100 -6.036 11.298 18.266 1.00 0.00 O ATOM 0 H GLU A 100 -6.226 13.937 14.862 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.073 13.557 16.881 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.232 11.610 15.245 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.637 10.681 16.607 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.528 11.256 17.669 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.832 12.854 17.849 1.00 0.00 H new TER 1607 GLU A 100