USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot -0:sc= 1.09 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.338 (180deg=-1.86!) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0109 USER MOD Single : A 27 GLN : amide:sc= -0.26 K(o=-0.26,f=-3.2!) USER MOD Single : A 32 GLN : amide:sc= 0.0184 X(o=0.018,f=0) USER MOD Single : A 33 CYS SG : rot -34:sc= -2.36! USER MOD Single : A 34 SER OG : rot 160:sc= -0.788 USER MOD Single : A 38 THR OG1 : rot 16:sc= 0.307 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 43:sc= 0.3 USER MOD Single : A 59 CYS SG : rot 35:sc= 0.14 USER MOD Single : A 67 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 76 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-1.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.798 USER MOD Single : A 81 CYS SG : rot -95:sc= 0.827 USER MOD Single : A 85 ASN : amide:sc= -4.87! C(o=-4.9!,f=-22!) USER MOD Single : A 89 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -90:sc= 0.257 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -52:sc= 0.0247 USER MOD Single : A 99 HIS : no HE2:sc= -6.02! C(o=-6!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 19.014 -1.334 1.667 1.00 0.00 N ATOM 84 CA GLU A 9 17.620 -1.481 1.263 1.00 0.00 C ATOM 85 C GLU A 9 16.839 -2.295 2.290 1.00 0.00 C ATOM 86 O GLU A 9 17.368 -2.665 3.339 1.00 0.00 O ATOM 87 CB GLU A 9 17.532 -2.152 -0.109 1.00 0.00 C ATOM 88 CG GLU A 9 17.895 -1.230 -1.262 1.00 0.00 C ATOM 89 CD GLU A 9 18.252 -1.988 -2.525 1.00 0.00 C ATOM 90 OE1 GLU A 9 17.420 -2.797 -2.986 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.364 -1.774 -3.052 1.00 0.00 O ATOM 0 HA GLU A 9 17.179 -0.486 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.195 -3.017 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.518 -2.524 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.057 -0.564 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.737 -0.602 -0.969 1.00 0.00 H new ATOM 98 N VAL A 10 15.575 -2.570 1.981 1.00 0.00 N ATOM 99 CA VAL A 10 14.720 -3.341 2.876 1.00 0.00 C ATOM 100 C VAL A 10 13.631 -4.073 2.100 1.00 0.00 C ATOM 101 O VAL A 10 13.459 -3.859 0.901 1.00 0.00 O ATOM 102 CB VAL A 10 14.061 -2.439 3.937 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.088 -1.981 4.961 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.385 -1.247 3.276 1.00 0.00 C ATOM 0 H VAL A 10 15.121 -2.270 1.118 1.00 0.00 H new ATOM 0 HA VAL A 10 15.359 -4.070 3.375 1.00 0.00 H new ATOM 0 HB VAL A 10 13.298 -3.017 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.604 -1.345 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.521 -2.850 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.876 -1.419 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.925 -0.620 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.127 -0.666 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.619 -1.600 2.586 1.00 0.00 H new ATOM 114 N ALA A 11 12.899 -4.939 2.793 1.00 0.00 N ATOM 115 CA ALA A 11 11.825 -5.702 2.170 1.00 0.00 C ATOM 116 C ALA A 11 10.472 -5.040 2.409 1.00 0.00 C ATOM 117 O ALA A 11 10.301 -4.234 3.323 1.00 0.00 O ATOM 118 CB ALA A 11 11.817 -7.129 2.696 1.00 0.00 C ATOM 0 H ALA A 11 13.030 -5.130 3.786 1.00 0.00 H new ATOM 0 HA ALA A 11 12.005 -5.724 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.010 -7.687 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.770 -7.606 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.665 -7.118 3.775 1.00 0.00 H new ATOM 124 N PRO A 12 9.486 -5.387 1.568 1.00 0.00 N ATOM 125 CA PRO A 12 8.130 -4.839 1.668 1.00 0.00 C ATOM 126 C PRO A 12 7.389 -5.344 2.901 1.00 0.00 C ATOM 127 O PRO A 12 7.531 -6.503 3.290 1.00 0.00 O ATOM 128 CB PRO A 12 7.449 -5.340 0.392 1.00 0.00 C ATOM 129 CG PRO A 12 8.197 -6.575 0.024 1.00 0.00 C ATOM 130 CD PRO A 12 9.618 -6.343 0.456 1.00 0.00 C ATOM 0 HA PRO A 12 8.136 -3.753 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.394 -5.552 0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.499 -4.595 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.776 -7.449 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.141 -6.760 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.096 -7.268 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.223 -5.936 -0.354 1.00 0.00 H new ATOM 138 N SER A 13 6.598 -4.468 3.512 1.00 0.00 N ATOM 139 CA SER A 13 5.837 -4.825 4.703 1.00 0.00 C ATOM 140 C SER A 13 4.699 -3.837 4.937 1.00 0.00 C ATOM 141 O SER A 13 4.806 -2.658 4.601 1.00 0.00 O ATOM 142 CB SER A 13 6.754 -4.863 5.927 1.00 0.00 C ATOM 143 OG SER A 13 7.610 -5.992 5.889 1.00 0.00 O ATOM 0 H SER A 13 6.468 -3.505 3.201 1.00 0.00 H new ATOM 0 HA SER A 13 5.409 -5.815 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.351 -3.952 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.152 -4.890 6.835 1.00 0.00 H new ATOM 0 HG SER A 13 7.424 -6.517 5.083 1.00 0.00 H new ATOM 149 N PHE A 14 3.608 -4.328 5.516 1.00 0.00 N ATOM 150 CA PHE A 14 2.447 -3.490 5.795 1.00 0.00 C ATOM 151 C PHE A 14 2.390 -3.115 7.273 1.00 0.00 C ATOM 152 O PHE A 14 2.261 -3.981 8.139 1.00 0.00 O ATOM 153 CB PHE A 14 1.161 -4.212 5.389 1.00 0.00 C ATOM 154 CG PHE A 14 0.973 -4.311 3.903 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.707 -3.180 3.147 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.062 -5.535 3.260 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.532 -3.269 1.779 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.889 -5.631 1.892 1.00 0.00 C ATOM 159 CZ PHE A 14 0.625 -4.496 1.151 1.00 0.00 C ATOM 0 H PHE A 14 3.503 -5.302 5.801 1.00 0.00 H new ATOM 0 HA PHE A 14 2.541 -2.575 5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.168 -5.216 5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.308 -3.689 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.636 -2.218 3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.269 -6.425 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.323 -2.381 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.960 -6.592 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.491 -4.567 0.082 1.00 0.00 H new ATOM 169 N SER A 15 2.486 -1.820 7.554 1.00 0.00 N ATOM 170 CA SER A 15 2.450 -1.330 8.927 1.00 0.00 C ATOM 171 C SER A 15 1.041 -1.437 9.504 1.00 0.00 C ATOM 172 O SER A 15 0.862 -1.790 10.670 1.00 0.00 O ATOM 173 CB SER A 15 2.928 0.122 8.985 1.00 0.00 C ATOM 174 OG SER A 15 3.488 0.424 10.252 1.00 0.00 O ATOM 0 H SER A 15 2.589 -1.090 6.849 1.00 0.00 H new ATOM 0 HA SER A 15 3.118 -1.949 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.670 0.296 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.092 0.792 8.784 1.00 0.00 H new ATOM 0 HG SER A 15 3.788 1.357 10.263 1.00 0.00 H new ATOM 180 N SER A 16 0.045 -1.130 8.679 1.00 0.00 N ATOM 181 CA SER A 16 -1.347 -1.188 9.107 1.00 0.00 C ATOM 182 C SER A 16 -2.203 -1.917 8.076 1.00 0.00 C ATOM 183 O SER A 16 -2.827 -1.293 7.217 1.00 0.00 O ATOM 184 CB SER A 16 -1.892 0.224 9.333 1.00 0.00 C ATOM 185 OG SER A 16 -1.333 0.806 10.498 1.00 0.00 O ATOM 0 H SER A 16 0.177 -0.839 7.710 1.00 0.00 H new ATOM 0 HA SER A 16 -1.390 -1.741 10.045 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.667 0.847 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.977 0.188 9.426 1.00 0.00 H new ATOM 0 HG SER A 16 -1.696 1.708 10.619 1.00 0.00 H new ATOM 191 N VAL A 17 -2.228 -3.243 8.168 1.00 0.00 N ATOM 192 CA VAL A 17 -3.007 -4.058 7.244 1.00 0.00 C ATOM 193 C VAL A 17 -4.483 -3.681 7.289 1.00 0.00 C ATOM 194 O VAL A 17 -4.996 -3.257 8.326 1.00 0.00 O ATOM 195 CB VAL A 17 -2.862 -5.559 7.561 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.411 -5.994 7.431 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.396 -5.863 8.953 1.00 0.00 C ATOM 0 H VAL A 17 -1.718 -3.775 8.873 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.616 -3.865 6.245 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.452 -6.124 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.328 -7.057 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.067 -5.813 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.797 -5.425 8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.286 -6.927 9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.835 -5.289 9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.450 -5.590 9.006 1.00 0.00 H new ATOM 207 N LEU A 18 -5.163 -3.838 6.159 1.00 0.00 N ATOM 208 CA LEU A 18 -6.583 -3.514 6.068 1.00 0.00 C ATOM 209 C LEU A 18 -7.382 -4.272 7.123 1.00 0.00 C ATOM 210 O LEU A 18 -7.023 -5.383 7.511 1.00 0.00 O ATOM 211 CB LEU A 18 -7.114 -3.846 4.673 1.00 0.00 C ATOM 212 CG LEU A 18 -6.448 -3.112 3.509 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.558 -3.927 2.230 1.00 0.00 C ATOM 214 CD2 LEU A 18 -7.068 -1.735 3.321 1.00 0.00 C ATOM 0 H LEU A 18 -4.754 -4.188 5.292 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.699 -2.445 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.005 -4.918 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.182 -3.627 4.651 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.391 -2.984 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.078 -3.388 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.066 -4.890 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.609 -4.088 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.581 -1.227 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.132 -1.841 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.935 -1.149 4.230 1.00 0.00 H new ATOM 226 N LYS A 19 -8.471 -3.664 7.583 1.00 0.00 N ATOM 227 CA LYS A 19 -9.325 -4.282 8.590 1.00 0.00 C ATOM 228 C LYS A 19 -10.792 -4.210 8.178 1.00 0.00 C ATOM 229 O LYS A 19 -11.184 -3.348 7.390 1.00 0.00 O ATOM 230 CB LYS A 19 -9.131 -3.595 9.944 1.00 0.00 C ATOM 231 CG LYS A 19 -7.698 -3.635 10.446 1.00 0.00 C ATOM 232 CD LYS A 19 -7.306 -5.030 10.903 1.00 0.00 C ATOM 233 CE LYS A 19 -7.808 -5.317 12.310 1.00 0.00 C ATOM 234 NZ LYS A 19 -9.172 -5.916 12.301 1.00 0.00 N ATOM 0 H LYS A 19 -8.783 -2.743 7.274 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.041 -5.331 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.450 -2.556 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.779 -4.072 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.025 -3.308 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.581 -2.934 11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.714 -5.768 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.221 -5.132 10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.117 -5.995 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.821 -4.392 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.842 -5.260 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.467 -6.093 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.160 -6.814 12.826 1.00 0.00 H new ATOM 248 N ASP A 20 -11.598 -5.119 8.715 1.00 0.00 N ATOM 249 CA ASP A 20 -13.022 -5.157 8.405 1.00 0.00 C ATOM 250 C ASP A 20 -13.578 -3.747 8.230 1.00 0.00 C ATOM 251 O ASP A 20 -13.289 -2.853 9.025 1.00 0.00 O ATOM 252 CB ASP A 20 -13.787 -5.887 9.510 1.00 0.00 C ATOM 253 CG ASP A 20 -13.314 -5.497 10.896 1.00 0.00 C ATOM 254 OD1 ASP A 20 -13.757 -4.444 11.400 1.00 0.00 O ATOM 255 OD2 ASP A 20 -12.502 -6.246 11.478 1.00 0.00 O ATOM 0 H ASP A 20 -11.289 -5.840 9.367 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.150 -5.698 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.851 -5.668 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.671 -6.963 9.379 1.00 0.00 H new ATOM 260 N CYS A 21 -14.376 -3.557 7.185 1.00 0.00 N ATOM 261 CA CYS A 21 -14.971 -2.255 6.904 1.00 0.00 C ATOM 262 C CYS A 21 -16.416 -2.406 6.442 1.00 0.00 C ATOM 263 O CYS A 21 -16.806 -3.452 5.922 1.00 0.00 O ATOM 264 CB CYS A 21 -14.157 -1.517 5.841 1.00 0.00 C ATOM 265 SG CYS A 21 -14.440 0.268 5.800 1.00 0.00 S ATOM 0 H CYS A 21 -14.626 -4.288 6.519 1.00 0.00 H new ATOM 0 HA CYS A 21 -14.962 -1.673 7.826 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.097 -1.702 6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.395 -1.934 4.862 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.705 0.803 4.870 1.00 0.00 H new ATOM 271 N ALA A 22 -17.207 -1.356 6.636 1.00 0.00 N ATOM 272 CA ALA A 22 -18.610 -1.372 6.239 1.00 0.00 C ATOM 273 C ALA A 22 -19.027 -0.032 5.644 1.00 0.00 C ATOM 274 O ALA A 22 -18.465 1.010 5.981 1.00 0.00 O ATOM 275 CB ALA A 22 -19.491 -1.722 7.428 1.00 0.00 C ATOM 0 H ALA A 22 -16.900 -0.483 7.066 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.736 -2.135 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.536 -1.730 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.217 -2.707 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.352 -0.980 8.214 1.00 0.00 H new ATOM 281 N VAL A 23 -20.015 -0.065 4.756 1.00 0.00 N ATOM 282 CA VAL A 23 -20.508 1.147 4.114 1.00 0.00 C ATOM 283 C VAL A 23 -21.949 0.975 3.647 1.00 0.00 C ATOM 284 O VAL A 23 -22.382 -0.134 3.332 1.00 0.00 O ATOM 285 CB VAL A 23 -19.633 1.540 2.909 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.788 0.528 1.784 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.984 2.940 2.430 1.00 0.00 C ATOM 0 H VAL A 23 -20.490 -0.919 4.465 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.463 1.940 4.860 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.590 1.540 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.162 0.822 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.482 -0.457 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.830 0.493 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.356 3.201 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.032 2.970 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.816 3.653 3.237 1.00 0.00 H new ATOM 297 N ILE A 24 -22.687 2.079 3.604 1.00 0.00 N ATOM 298 CA ILE A 24 -24.080 2.051 3.174 1.00 0.00 C ATOM 299 C ILE A 24 -24.192 2.230 1.664 1.00 0.00 C ATOM 300 O ILE A 24 -23.393 2.938 1.052 1.00 0.00 O ATOM 301 CB ILE A 24 -24.907 3.146 3.872 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.181 2.758 5.327 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.212 3.380 3.126 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.703 3.902 6.169 1.00 0.00 C ATOM 0 H ILE A 24 -22.344 3.004 3.862 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.477 1.075 3.453 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.335 4.074 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.904 1.943 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.261 2.379 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.786 4.157 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.996 3.695 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.791 2.456 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.875 3.555 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -24.971 4.710 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.640 4.267 5.747 1.00 0.00 H new ATOM 316 N GLU A 25 -25.191 1.584 1.069 1.00 0.00 N ATOM 317 CA GLU A 25 -25.408 1.674 -0.370 1.00 0.00 C ATOM 318 C GLU A 25 -25.609 3.124 -0.801 1.00 0.00 C ATOM 319 O GLU A 25 -26.681 3.697 -0.608 1.00 0.00 O ATOM 320 CB GLU A 25 -26.621 0.836 -0.778 1.00 0.00 C ATOM 321 CG GLU A 25 -26.701 0.566 -2.271 1.00 0.00 C ATOM 322 CD GLU A 25 -27.921 -0.248 -2.653 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.945 -1.460 -2.350 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.853 0.326 -3.254 1.00 0.00 O ATOM 0 H GLU A 25 -25.862 0.994 1.561 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.521 1.285 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.590 -0.115 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.529 1.349 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.720 1.515 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.802 0.038 -2.589 1.00 0.00 H new ATOM 331 N GLY A 26 -24.569 3.711 -1.385 1.00 0.00 N ATOM 332 CA GLY A 26 -24.651 5.089 -1.833 1.00 0.00 C ATOM 333 C GLY A 26 -23.653 5.988 -1.131 1.00 0.00 C ATOM 334 O GLY A 26 -23.657 7.203 -1.328 1.00 0.00 O ATOM 0 H GLY A 26 -23.672 3.257 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.477 5.129 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.659 5.465 -1.659 1.00 0.00 H new ATOM 338 N GLN A 27 -22.797 5.390 -0.309 1.00 0.00 N ATOM 339 CA GLN A 27 -21.791 6.146 0.427 1.00 0.00 C ATOM 340 C GLN A 27 -20.421 6.011 -0.230 1.00 0.00 C ATOM 341 O GLN A 27 -20.253 5.258 -1.190 1.00 0.00 O ATOM 342 CB GLN A 27 -21.722 5.667 1.878 1.00 0.00 C ATOM 343 CG GLN A 27 -22.732 6.345 2.791 1.00 0.00 C ATOM 344 CD GLN A 27 -22.337 7.766 3.143 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.568 8.405 2.425 1.00 0.00 O ATOM 346 NE2 GLN A 27 -22.863 8.269 4.254 1.00 0.00 N ATOM 0 H GLN A 27 -22.780 4.385 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.080 7.197 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.886 4.590 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.718 5.846 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.708 6.353 2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.836 5.763 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.496 7.704 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -22.634 9.220 4.542 1.00 0.00 H new ATOM 355 N ASP A 28 -19.445 6.745 0.293 1.00 0.00 N ATOM 356 CA ASP A 28 -18.089 6.707 -0.243 1.00 0.00 C ATOM 357 C ASP A 28 -17.095 6.262 0.826 1.00 0.00 C ATOM 358 O ASP A 28 -17.106 6.768 1.948 1.00 0.00 O ATOM 359 CB ASP A 28 -17.693 8.082 -0.784 1.00 0.00 C ATOM 360 CG ASP A 28 -18.113 9.210 0.137 1.00 0.00 C ATOM 361 OD1 ASP A 28 -17.375 9.492 1.104 1.00 0.00 O ATOM 362 OD2 ASP A 28 -19.181 9.810 -0.108 1.00 0.00 O ATOM 0 H ASP A 28 -19.567 7.373 1.087 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.067 5.984 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.613 8.116 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.148 8.228 -1.764 1.00 0.00 H new ATOM 367 N PHE A 29 -16.237 5.312 0.470 1.00 0.00 N ATOM 368 CA PHE A 29 -15.238 4.797 1.398 1.00 0.00 C ATOM 369 C PHE A 29 -13.895 4.603 0.700 1.00 0.00 C ATOM 370 O PHE A 29 -13.835 4.124 -0.433 1.00 0.00 O ATOM 371 CB PHE A 29 -15.707 3.472 2.003 1.00 0.00 C ATOM 372 CG PHE A 29 -15.556 2.302 1.073 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.348 1.632 0.973 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.623 1.872 0.300 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.206 0.555 0.118 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.487 0.796 -0.556 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.277 0.136 -0.647 1.00 0.00 C ATOM 0 H PHE A 29 -16.214 4.883 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.110 5.528 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.141 3.277 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.754 3.564 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.508 1.955 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.572 2.384 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.258 0.042 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.326 0.471 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.169 -0.706 -1.315 1.00 0.00 H new ATOM 387 N VAL A 30 -12.819 4.979 1.384 1.00 0.00 N ATOM 388 CA VAL A 30 -11.477 4.846 0.830 1.00 0.00 C ATOM 389 C VAL A 30 -10.590 3.998 1.736 1.00 0.00 C ATOM 390 O VAL A 30 -10.108 4.468 2.768 1.00 0.00 O ATOM 391 CB VAL A 30 -10.816 6.222 0.625 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.082 7.126 1.819 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.321 6.064 0.388 1.00 0.00 C ATOM 0 H VAL A 30 -12.851 5.378 2.322 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.581 4.353 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.254 6.688 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.607 8.093 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.157 7.265 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.673 6.669 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.870 7.046 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.865 5.577 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.156 5.456 -0.501 1.00 0.00 H new ATOM 403 N LEU A 31 -10.379 2.747 1.344 1.00 0.00 N ATOM 404 CA LEU A 31 -9.549 1.832 2.120 1.00 0.00 C ATOM 405 C LEU A 31 -8.134 2.381 2.279 1.00 0.00 C ATOM 406 O LEU A 31 -7.367 2.432 1.318 1.00 0.00 O ATOM 407 CB LEU A 31 -9.503 0.459 1.448 1.00 0.00 C ATOM 408 CG LEU A 31 -10.803 -0.346 1.475 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.815 -1.377 0.358 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.985 -1.019 2.827 1.00 0.00 C ATOM 0 H LEU A 31 -10.771 2.343 0.494 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.993 1.730 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.205 0.595 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.723 -0.132 1.928 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.636 0.339 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.747 -1.940 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.732 -0.872 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.974 -2.059 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.915 -1.587 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.148 -1.692 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.022 -0.261 3.609 1.00 0.00 H new ATOM 422 N GLN A 32 -7.797 2.789 3.498 1.00 0.00 N ATOM 423 CA GLN A 32 -6.474 3.333 3.782 1.00 0.00 C ATOM 424 C GLN A 32 -5.606 2.306 4.502 1.00 0.00 C ATOM 425 O GLN A 32 -6.068 1.619 5.414 1.00 0.00 O ATOM 426 CB GLN A 32 -6.592 4.602 4.628 1.00 0.00 C ATOM 427 CG GLN A 32 -5.261 5.294 4.875 1.00 0.00 C ATOM 428 CD GLN A 32 -5.302 6.229 6.068 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.354 5.787 7.216 1.00 0.00 O ATOM 430 NE2 GLN A 32 -5.279 7.529 5.801 1.00 0.00 N ATOM 0 H GLN A 32 -8.421 2.753 4.304 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.999 3.581 2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.268 5.298 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.044 4.349 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.489 4.542 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.978 5.858 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.236 7.850 4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.305 8.207 6.563 1.00 0.00 H new ATOM 439 N CYS A 33 -4.349 2.205 4.086 1.00 0.00 N ATOM 440 CA CYS A 33 -3.417 1.261 4.691 1.00 0.00 C ATOM 441 C CYS A 33 -2.002 1.831 4.712 1.00 0.00 C ATOM 442 O CYS A 33 -1.667 2.717 3.926 1.00 0.00 O ATOM 443 CB CYS A 33 -3.434 -0.065 3.928 1.00 0.00 C ATOM 444 SG CYS A 33 -2.904 0.069 2.204 1.00 0.00 S ATOM 0 H CYS A 33 -3.952 2.765 3.332 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.734 1.085 5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.787 -0.776 4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.444 -0.475 3.956 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.277 1.218 1.723 1.00 0.00 H new ATOM 450 N SER A 34 -1.176 1.317 5.617 1.00 0.00 N ATOM 451 CA SER A 34 0.202 1.778 5.745 1.00 0.00 C ATOM 452 C SER A 34 1.175 0.743 5.189 1.00 0.00 C ATOM 453 O SER A 34 1.165 -0.418 5.599 1.00 0.00 O ATOM 454 CB SER A 34 0.531 2.070 7.210 1.00 0.00 C ATOM 455 OG SER A 34 1.872 2.502 7.355 1.00 0.00 O ATOM 0 H SER A 34 -1.437 0.581 6.273 1.00 0.00 H new ATOM 0 HA SER A 34 0.307 2.696 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.144 2.836 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.368 1.174 7.808 1.00 0.00 H new ATOM 0 HG SER A 34 1.972 2.978 8.206 1.00 0.00 H new ATOM 461 N VAL A 35 2.016 1.173 4.253 1.00 0.00 N ATOM 462 CA VAL A 35 2.997 0.285 3.641 1.00 0.00 C ATOM 463 C VAL A 35 4.361 0.959 3.542 1.00 0.00 C ATOM 464 O VAL A 35 4.456 2.148 3.237 1.00 0.00 O ATOM 465 CB VAL A 35 2.552 -0.159 2.235 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.030 1.028 1.440 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.700 -0.838 1.503 1.00 0.00 C ATOM 0 H VAL A 35 2.037 2.131 3.902 1.00 0.00 H new ATOM 0 HA VAL A 35 3.074 -0.593 4.283 1.00 0.00 H new ATOM 0 HB VAL A 35 1.741 -0.880 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.720 0.695 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.177 1.466 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.818 1.775 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.368 -1.145 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.533 -0.142 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.023 -1.714 2.065 1.00 0.00 H new ATOM 477 N ARG A 36 5.414 0.191 3.800 1.00 0.00 N ATOM 478 CA ARG A 36 6.774 0.713 3.740 1.00 0.00 C ATOM 479 C ARG A 36 7.701 -0.264 3.024 1.00 0.00 C ATOM 480 O ARG A 36 7.387 -1.445 2.885 1.00 0.00 O ATOM 481 CB ARG A 36 7.299 0.990 5.150 1.00 0.00 C ATOM 482 CG ARG A 36 6.497 2.040 5.903 1.00 0.00 C ATOM 483 CD ARG A 36 7.240 2.529 7.137 1.00 0.00 C ATOM 484 NE ARG A 36 6.339 3.131 8.115 1.00 0.00 N ATOM 485 CZ ARG A 36 6.756 3.776 9.199 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.053 3.902 9.441 1.00 0.00 N ATOM 487 NH2 ARG A 36 5.874 4.296 10.043 1.00 0.00 N ATOM 0 H ARG A 36 5.352 -0.795 4.053 1.00 0.00 H new ATOM 0 HA ARG A 36 6.753 1.646 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.292 0.061 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.337 1.316 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.290 2.883 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.535 1.622 6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.768 1.694 7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.994 3.259 6.841 1.00 0.00 H new ATOM 0 HE ARG A 36 5.334 3.052 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.734 3.503 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.371 4.398 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.875 4.201 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.195 4.791 10.875 1.00 0.00 H new ATOM 501 N GLY A 37 8.846 0.238 2.570 1.00 0.00 N ATOM 502 CA GLY A 37 9.800 -0.603 1.872 1.00 0.00 C ATOM 503 C GLY A 37 10.777 0.198 1.036 1.00 0.00 C ATOM 504 O GLY A 37 10.551 1.378 0.762 1.00 0.00 O ATOM 0 H GLY A 37 9.129 1.212 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.352 -1.200 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.263 -1.300 1.229 1.00 0.00 H new ATOM 508 N THR A 38 11.869 -0.441 0.628 1.00 0.00 N ATOM 509 CA THR A 38 12.886 0.220 -0.179 1.00 0.00 C ATOM 510 C THR A 38 13.591 -0.772 -1.097 1.00 0.00 C ATOM 511 O THR A 38 14.156 -1.772 -0.653 1.00 0.00 O ATOM 512 CB THR A 38 13.936 0.921 0.703 1.00 0.00 C ATOM 513 OG1 THR A 38 13.426 2.176 1.168 1.00 0.00 O ATOM 514 CG2 THR A 38 15.227 1.148 -0.068 1.00 0.00 C ATOM 0 H THR A 38 12.071 -1.417 0.844 1.00 0.00 H new ATOM 0 HA THR A 38 12.372 0.968 -0.783 1.00 0.00 H new ATOM 0 HB THR A 38 14.149 0.277 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.455 2.202 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.953 1.644 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.629 0.189 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.026 1.774 -0.938 1.00 0.00 H new ATOM 522 N PRO A 39 13.559 -0.493 -2.408 1.00 0.00 N ATOM 523 CA PRO A 39 12.889 0.694 -2.948 1.00 0.00 C ATOM 524 C PRO A 39 11.371 0.606 -2.830 1.00 0.00 C ATOM 525 O PRO A 39 10.836 -0.345 -2.261 1.00 0.00 O ATOM 526 CB PRO A 39 13.311 0.701 -4.420 1.00 0.00 C ATOM 527 CG PRO A 39 13.621 -0.723 -4.732 1.00 0.00 C ATOM 528 CD PRO A 39 14.175 -1.313 -3.465 1.00 0.00 C ATOM 0 HA PRO A 39 13.165 1.599 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.514 1.082 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.180 1.340 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.726 -1.256 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.343 -0.796 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.910 -2.365 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.263 -1.254 -3.437 1.00 0.00 H new ATOM 536 N VAL A 40 10.681 1.605 -3.373 1.00 0.00 N ATOM 537 CA VAL A 40 9.224 1.640 -3.329 1.00 0.00 C ATOM 538 C VAL A 40 8.624 0.439 -4.053 1.00 0.00 C ATOM 539 O VAL A 40 8.865 0.214 -5.239 1.00 0.00 O ATOM 540 CB VAL A 40 8.675 2.933 -3.960 1.00 0.00 C ATOM 541 CG1 VAL A 40 7.155 2.956 -3.893 1.00 0.00 C ATOM 542 CG2 VAL A 40 9.266 4.154 -3.272 1.00 0.00 C ATOM 0 H VAL A 40 11.108 2.400 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 40 8.937 1.608 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 40 8.969 2.958 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.785 3.877 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.754 2.100 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.836 2.908 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.867 5.059 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.004 4.138 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.351 4.142 -3.378 1.00 0.00 H new ATOM 552 N PRO A 41 7.823 -0.351 -3.323 1.00 0.00 N ATOM 553 CA PRO A 41 7.170 -1.542 -3.875 1.00 0.00 C ATOM 554 C PRO A 41 6.076 -1.191 -4.877 1.00 0.00 C ATOM 555 O PRO A 41 5.802 -0.017 -5.126 1.00 0.00 O ATOM 556 CB PRO A 41 6.569 -2.220 -2.642 1.00 0.00 C ATOM 557 CG PRO A 41 6.372 -1.117 -1.661 1.00 0.00 C ATOM 558 CD PRO A 41 7.491 -0.143 -1.904 1.00 0.00 C ATOM 0 HA PRO A 41 7.868 -2.172 -4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.625 -2.711 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.236 -2.986 -2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.402 -0.640 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.398 -1.494 -0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.179 0.883 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.346 -0.344 -1.258 1.00 0.00 H new ATOM 566 N ARG A 42 5.452 -2.217 -5.449 1.00 0.00 N ATOM 567 CA ARG A 42 4.388 -2.016 -6.425 1.00 0.00 C ATOM 568 C ARG A 42 3.017 -2.116 -5.762 1.00 0.00 C ATOM 569 O ARG A 42 2.673 -3.143 -5.177 1.00 0.00 O ATOM 570 CB ARG A 42 4.498 -3.046 -7.551 1.00 0.00 C ATOM 571 CG ARG A 42 5.495 -2.662 -8.632 1.00 0.00 C ATOM 572 CD ARG A 42 6.926 -2.735 -8.121 1.00 0.00 C ATOM 573 NE ARG A 42 7.889 -2.294 -9.126 1.00 0.00 N ATOM 574 CZ ARG A 42 9.101 -1.838 -8.832 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.497 -1.765 -7.569 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.921 -1.455 -9.803 1.00 0.00 N ATOM 0 H ARG A 42 5.665 -3.195 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 42 4.498 -1.016 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.788 -4.007 -7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.516 -3.181 -8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.379 -3.326 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.283 -1.651 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.024 -2.117 -7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.154 -3.759 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 42 7.616 -2.339 -10.108 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.870 -2.060 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.429 -1.414 -7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.620 -1.511 -10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.852 -1.105 -9.576 1.00 0.00 H new ATOM 590 N ILE A 43 2.240 -1.042 -5.858 1.00 0.00 N ATOM 591 CA ILE A 43 0.907 -1.009 -5.269 1.00 0.00 C ATOM 592 C ILE A 43 -0.145 -1.492 -6.261 1.00 0.00 C ATOM 593 O ILE A 43 -0.483 -0.792 -7.216 1.00 0.00 O ATOM 594 CB ILE A 43 0.536 0.408 -4.794 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.686 1.017 -3.988 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.738 0.372 -3.964 1.00 0.00 C ATOM 597 CD1 ILE A 43 2.130 0.158 -2.825 1.00 0.00 C ATOM 0 H ILE A 43 2.511 -0.184 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 43 0.926 -1.678 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 43 0.359 1.033 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.535 1.184 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.379 1.993 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.987 1.381 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.554 -0.025 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.587 -0.266 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.947 0.652 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.294 0.012 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.469 -0.809 -3.196 1.00 0.00 H new ATOM 609 N THR A 44 -0.662 -2.695 -6.029 1.00 0.00 N ATOM 610 CA THR A 44 -1.677 -3.272 -6.901 1.00 0.00 C ATOM 611 C THR A 44 -2.808 -3.897 -6.092 1.00 0.00 C ATOM 612 O THR A 44 -2.587 -4.824 -5.313 1.00 0.00 O ATOM 613 CB THR A 44 -1.075 -4.342 -7.832 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.010 -3.777 -8.604 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.137 -4.909 -8.762 1.00 0.00 C ATOM 0 H THR A 44 -0.394 -3.288 -5.244 1.00 0.00 H new ATOM 0 HA THR A 44 -2.075 -2.456 -7.505 1.00 0.00 H new ATOM 0 HB THR A 44 -0.685 -5.151 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.368 -4.464 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.689 -5.662 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.932 -5.365 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.552 -4.107 -9.372 1.00 0.00 H new ATOM 623 N TRP A 45 -4.018 -3.384 -6.282 1.00 0.00 N ATOM 624 CA TRP A 45 -5.184 -3.893 -5.569 1.00 0.00 C ATOM 625 C TRP A 45 -5.870 -4.997 -6.366 1.00 0.00 C ATOM 626 O TRP A 45 -6.091 -4.862 -7.570 1.00 0.00 O ATOM 627 CB TRP A 45 -6.172 -2.759 -5.289 1.00 0.00 C ATOM 628 CG TRP A 45 -5.603 -1.677 -4.422 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.731 -0.697 -4.801 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.866 -1.467 -3.031 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.436 0.110 -3.729 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.121 -0.340 -2.631 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.661 -2.119 -2.084 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.146 0.144 -1.326 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.685 -1.636 -0.789 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.933 -0.513 -0.420 1.00 0.00 C ATOM 0 H TRP A 45 -4.217 -2.616 -6.923 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.845 -4.312 -4.621 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.494 -2.325 -6.236 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.060 -3.170 -4.809 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.332 -0.574 -5.797 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.809 0.914 -3.748 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.246 -2.984 -2.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.565 1.008 -1.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.294 -2.133 -0.049 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.975 -0.159 0.599 1.00 0.00 H new ATOM 647 N LEU A 46 -6.206 -6.089 -5.688 1.00 0.00 N ATOM 648 CA LEU A 46 -6.869 -7.217 -6.333 1.00 0.00 C ATOM 649 C LEU A 46 -8.243 -7.466 -5.719 1.00 0.00 C ATOM 650 O LEU A 46 -8.395 -7.483 -4.497 1.00 0.00 O ATOM 651 CB LEU A 46 -6.008 -8.476 -6.213 1.00 0.00 C ATOM 652 CG LEU A 46 -4.762 -8.525 -7.098 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.703 -9.423 -6.479 1.00 0.00 C ATOM 654 CD2 LEU A 46 -5.120 -9.005 -8.497 1.00 0.00 C ATOM 0 H LEU A 46 -6.030 -6.217 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.002 -6.974 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.695 -8.580 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.629 -9.340 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.354 -7.517 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.824 -9.446 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.425 -9.036 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.100 -10.432 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.221 -9.034 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.552 -10.004 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.843 -8.322 -8.942 1.00 0.00 H new ATOM 666 N LEU A 47 -9.241 -7.659 -6.575 1.00 0.00 N ATOM 667 CA LEU A 47 -10.603 -7.910 -6.117 1.00 0.00 C ATOM 668 C LEU A 47 -11.171 -9.170 -6.762 1.00 0.00 C ATOM 669 O LEU A 47 -11.053 -9.367 -7.970 1.00 0.00 O ATOM 670 CB LEU A 47 -11.498 -6.711 -6.437 1.00 0.00 C ATOM 671 CG LEU A 47 -12.936 -6.792 -5.924 1.00 0.00 C ATOM 672 CD1 LEU A 47 -12.984 -6.541 -4.425 1.00 0.00 C ATOM 673 CD2 LEU A 47 -13.822 -5.799 -6.662 1.00 0.00 C ATOM 0 H LEU A 47 -9.133 -7.646 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.576 -8.058 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.035 -5.816 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.526 -6.582 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.313 -7.797 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.016 -6.603 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.383 -7.291 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.588 -5.549 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.842 -5.870 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.446 -4.788 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.813 -6.026 -7.728 1.00 0.00 H new ATOM 685 N ASN A 48 -11.789 -10.019 -5.947 1.00 0.00 N ATOM 686 CA ASN A 48 -12.378 -11.259 -6.439 1.00 0.00 C ATOM 687 C ASN A 48 -11.390 -12.018 -7.319 1.00 0.00 C ATOM 688 O ASN A 48 -11.785 -12.797 -8.185 1.00 0.00 O ATOM 689 CB ASN A 48 -13.657 -10.965 -7.225 1.00 0.00 C ATOM 690 CG ASN A 48 -14.880 -10.892 -6.332 1.00 0.00 C ATOM 691 OD1 ASN A 48 -15.885 -11.559 -6.581 1.00 0.00 O ATOM 692 ND2 ASN A 48 -14.801 -10.078 -5.285 1.00 0.00 N ATOM 0 H ASN A 48 -11.895 -9.871 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.624 -11.881 -5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.543 -10.021 -7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.805 -11.741 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.593 -9.987 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.948 -9.544 -5.117 1.00 0.00 H new ATOM 699 N GLY A 49 -10.101 -11.785 -7.090 1.00 0.00 N ATOM 700 CA GLY A 49 -9.076 -12.455 -7.869 1.00 0.00 C ATOM 701 C GLY A 49 -8.871 -11.815 -9.228 1.00 0.00 C ATOM 702 O GLY A 49 -8.559 -12.500 -10.202 1.00 0.00 O ATOM 0 H GLY A 49 -9.748 -11.144 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.136 -12.439 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.350 -13.502 -8.001 1.00 0.00 H new ATOM 706 N GLN A 50 -9.047 -10.500 -9.294 1.00 0.00 N ATOM 707 CA GLN A 50 -8.882 -9.769 -10.545 1.00 0.00 C ATOM 708 C GLN A 50 -8.336 -8.368 -10.289 1.00 0.00 C ATOM 709 O GLN A 50 -8.708 -7.697 -9.326 1.00 0.00 O ATOM 710 CB GLN A 50 -10.215 -9.682 -11.290 1.00 0.00 C ATOM 711 CG GLN A 50 -11.032 -8.450 -10.933 1.00 0.00 C ATOM 712 CD GLN A 50 -12.501 -8.605 -11.274 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.864 -9.360 -12.177 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.355 -7.891 -10.551 1.00 0.00 N ATOM 0 H GLN A 50 -9.304 -9.919 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.165 -10.311 -11.161 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.023 -9.682 -12.363 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.803 -10.574 -11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.930 -8.247 -9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.629 -7.586 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.010 -7.278 -9.812 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.356 -7.955 -10.734 1.00 0.00 H new ATOM 723 N PRO A 51 -7.433 -7.914 -11.170 1.00 0.00 N ATOM 724 CA PRO A 51 -6.817 -6.588 -11.061 1.00 0.00 C ATOM 725 C PRO A 51 -7.807 -5.464 -11.347 1.00 0.00 C ATOM 726 O PRO A 51 -8.506 -5.483 -12.361 1.00 0.00 O ATOM 727 CB PRO A 51 -5.718 -6.618 -12.126 1.00 0.00 C ATOM 728 CG PRO A 51 -6.185 -7.622 -13.123 1.00 0.00 C ATOM 729 CD PRO A 51 -6.943 -8.660 -12.342 1.00 0.00 C ATOM 0 HA PRO A 51 -6.448 -6.392 -10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.584 -5.638 -12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.758 -6.904 -11.696 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.822 -7.157 -13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.342 -8.069 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.764 -9.080 -12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.301 -9.491 -12.050 1.00 0.00 H new ATOM 737 N ILE A 52 -7.860 -4.486 -10.449 1.00 0.00 N ATOM 738 CA ILE A 52 -8.763 -3.353 -10.608 1.00 0.00 C ATOM 739 C ILE A 52 -8.213 -2.348 -11.614 1.00 0.00 C ATOM 740 O ILE A 52 -7.243 -1.644 -11.335 1.00 0.00 O ATOM 741 CB ILE A 52 -9.009 -2.637 -9.266 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.345 -3.655 -8.174 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.127 -1.615 -9.408 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.425 -3.051 -6.790 1.00 0.00 C ATOM 0 H ILE A 52 -7.289 -4.455 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.708 -3.752 -10.977 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.098 -2.112 -8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.298 -4.129 -8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.589 -4.441 -8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.289 -1.118 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.851 -0.875 -10.159 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.044 -2.119 -9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.667 -3.830 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.466 -2.602 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.201 -2.285 -6.771 1.00 0.00 H new ATOM 756 N GLN A 53 -8.840 -2.286 -12.784 1.00 0.00 N ATOM 757 CA GLN A 53 -8.414 -1.366 -13.831 1.00 0.00 C ATOM 758 C GLN A 53 -8.740 0.076 -13.456 1.00 0.00 C ATOM 759 O GLN A 53 -7.888 0.960 -13.548 1.00 0.00 O ATOM 760 CB GLN A 53 -9.085 -1.724 -15.159 1.00 0.00 C ATOM 761 CG GLN A 53 -8.756 -3.125 -15.648 1.00 0.00 C ATOM 762 CD GLN A 53 -9.633 -3.559 -16.806 1.00 0.00 C ATOM 763 OE1 GLN A 53 -9.786 -2.836 -17.790 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.216 -4.747 -16.694 1.00 0.00 N ATOM 0 H GLN A 53 -9.645 -2.862 -13.031 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.333 -1.458 -13.941 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.165 -1.631 -15.047 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.780 -1.003 -15.917 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.711 -3.163 -15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.872 -3.830 -14.825 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.062 -5.314 -15.860 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.818 -5.092 -17.442 1.00 0.00 H new ATOM 773 N TYR A 54 -9.978 0.306 -13.033 1.00 0.00 N ATOM 774 CA TYR A 54 -10.418 1.641 -12.646 1.00 0.00 C ATOM 775 C TYR A 54 -10.133 1.902 -11.170 1.00 0.00 C ATOM 776 O TYR A 54 -10.955 2.483 -10.461 1.00 0.00 O ATOM 777 CB TYR A 54 -11.912 1.810 -12.926 1.00 0.00 C ATOM 778 CG TYR A 54 -12.794 0.955 -12.045 1.00 0.00 C ATOM 779 CD1 TYR A 54 -12.978 -0.396 -12.314 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.442 1.498 -10.942 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.784 -1.180 -11.512 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.249 0.720 -10.134 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.417 -0.618 -10.423 1.00 0.00 C ATOM 784 OH TYR A 54 -15.219 -1.396 -9.620 1.00 0.00 O ATOM 0 H TYR A 54 -10.695 -0.415 -12.949 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.860 2.366 -13.239 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.182 2.857 -12.789 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.108 1.564 -13.970 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.482 -0.840 -13.165 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.313 2.545 -10.713 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.918 -2.228 -11.736 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.746 1.157 -9.281 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.589 -0.847 -8.897 1.00 0.00 H new ATOM 794 N ALA A 55 -8.963 1.467 -10.714 1.00 0.00 N ATOM 795 CA ALA A 55 -8.567 1.655 -9.323 1.00 0.00 C ATOM 796 C ALA A 55 -7.813 2.968 -9.140 1.00 0.00 C ATOM 797 O ALA A 55 -6.607 3.040 -9.379 1.00 0.00 O ATOM 798 CB ALA A 55 -7.716 0.485 -8.854 1.00 0.00 C ATOM 0 H ALA A 55 -8.273 0.982 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.471 1.698 -8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.428 0.639 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.289 -0.439 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.821 0.415 -9.472 1.00 0.00 H new ATOM 804 N ARG A 56 -8.530 4.003 -8.715 1.00 0.00 N ATOM 805 CA ARG A 56 -7.927 5.313 -8.501 1.00 0.00 C ATOM 806 C ARG A 56 -7.151 5.347 -7.188 1.00 0.00 C ATOM 807 O ARG A 56 -7.360 6.229 -6.355 1.00 0.00 O ATOM 808 CB ARG A 56 -9.005 6.399 -8.498 1.00 0.00 C ATOM 809 CG ARG A 56 -9.389 6.880 -9.887 1.00 0.00 C ATOM 810 CD ARG A 56 -9.843 8.331 -9.869 1.00 0.00 C ATOM 811 NE ARG A 56 -8.744 9.245 -9.570 1.00 0.00 N ATOM 812 CZ ARG A 56 -8.856 10.568 -9.611 1.00 0.00 C ATOM 813 NH1 ARG A 56 -10.013 11.129 -9.937 1.00 0.00 N ATOM 814 NH2 ARG A 56 -7.810 11.333 -9.326 1.00 0.00 N ATOM 0 H ARG A 56 -9.529 3.960 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.231 5.503 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.894 6.015 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.651 7.248 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.537 6.773 -10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.188 6.253 -10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.275 8.588 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.630 8.455 -9.125 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.841 8.846 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.819 10.544 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.096 12.145 -9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.919 10.905 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.897 12.349 -9.358 1.00 0.00 H new ATOM 828 N SER A 57 -6.256 4.381 -7.010 1.00 0.00 N ATOM 829 CA SER A 57 -5.452 4.298 -5.796 1.00 0.00 C ATOM 830 C SER A 57 -4.427 5.427 -5.745 1.00 0.00 C ATOM 831 O SER A 57 -3.852 5.807 -6.765 1.00 0.00 O ATOM 832 CB SER A 57 -4.741 2.946 -5.722 1.00 0.00 C ATOM 833 OG SER A 57 -3.855 2.774 -6.815 1.00 0.00 O ATOM 0 H SER A 57 -6.069 3.645 -7.691 1.00 0.00 H new ATOM 0 HA SER A 57 -6.120 4.397 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.187 2.874 -4.786 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.479 2.144 -5.718 1.00 0.00 H new ATOM 0 HG SER A 57 -3.412 1.903 -6.743 1.00 0.00 H new ATOM 839 N THR A 58 -4.204 5.962 -4.548 1.00 0.00 N ATOM 840 CA THR A 58 -3.250 7.048 -4.362 1.00 0.00 C ATOM 841 C THR A 58 -2.324 6.771 -3.184 1.00 0.00 C ATOM 842 O THR A 58 -2.775 6.631 -2.046 1.00 0.00 O ATOM 843 CB THR A 58 -3.968 8.392 -4.131 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.898 8.271 -3.049 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.699 8.838 -5.388 1.00 0.00 C ATOM 0 H THR A 58 -4.672 5.660 -3.693 1.00 0.00 H new ATOM 0 HA THR A 58 -2.660 7.111 -5.277 1.00 0.00 H new ATOM 0 HB THR A 58 -3.217 9.142 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.488 7.759 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.198 9.789 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.984 8.958 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.440 8.087 -5.664 1.00 0.00 H new ATOM 853 N CYS A 59 -1.027 6.692 -3.463 1.00 0.00 N ATOM 854 CA CYS A 59 -0.036 6.431 -2.425 1.00 0.00 C ATOM 855 C CYS A 59 0.677 7.717 -2.018 1.00 0.00 C ATOM 856 O CYS A 59 1.295 8.383 -2.847 1.00 0.00 O ATOM 857 CB CYS A 59 0.983 5.400 -2.911 1.00 0.00 C ATOM 858 SG CYS A 59 1.870 5.889 -4.409 1.00 0.00 S ATOM 0 H CYS A 59 -0.638 6.805 -4.399 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.556 6.034 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.706 5.217 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.469 4.457 -3.097 1.00 0.00 H new ATOM 0 HG CYS A 59 2.061 7.175 -4.400 1.00 0.00 H new ATOM 864 N GLU A 60 0.584 8.059 -0.737 1.00 0.00 N ATOM 865 CA GLU A 60 1.219 9.266 -0.222 1.00 0.00 C ATOM 866 C GLU A 60 2.058 8.955 1.014 1.00 0.00 C ATOM 867 O GLU A 60 1.573 8.352 1.971 1.00 0.00 O ATOM 868 CB GLU A 60 0.162 10.319 0.119 1.00 0.00 C ATOM 869 CG GLU A 60 -0.213 11.208 -1.056 1.00 0.00 C ATOM 870 CD GLU A 60 -1.628 11.742 -0.955 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.981 12.288 0.111 1.00 0.00 O ATOM 872 OE2 GLU A 60 -2.383 11.614 -1.942 1.00 0.00 O ATOM 0 H GLU A 60 0.076 7.518 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 60 1.877 9.658 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.734 9.817 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.532 10.943 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.484 12.044 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.107 10.643 -1.982 1.00 0.00 H new ATOM 879 N ALA A 61 3.320 9.370 0.984 1.00 0.00 N ATOM 880 CA ALA A 61 4.228 9.137 2.101 1.00 0.00 C ATOM 881 C ALA A 61 4.102 7.709 2.622 1.00 0.00 C ATOM 882 O ALA A 61 4.033 7.482 3.829 1.00 0.00 O ATOM 883 CB ALA A 61 3.956 10.134 3.218 1.00 0.00 C ATOM 0 H ALA A 61 3.737 9.869 0.198 1.00 0.00 H new ATOM 0 HA ALA A 61 5.248 9.277 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.641 9.949 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.103 11.148 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.929 10.021 3.565 1.00 0.00 H new ATOM 889 N GLY A 62 4.072 6.749 1.703 1.00 0.00 N ATOM 890 CA GLY A 62 3.954 5.355 2.089 1.00 0.00 C ATOM 891 C GLY A 62 2.580 5.019 2.633 1.00 0.00 C ATOM 892 O GLY A 62 2.445 4.182 3.525 1.00 0.00 O ATOM 0 H GLY A 62 4.127 6.912 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.164 4.723 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.706 5.125 2.843 1.00 0.00 H new ATOM 896 N VAL A 63 1.556 5.675 2.096 1.00 0.00 N ATOM 897 CA VAL A 63 0.184 5.441 2.533 1.00 0.00 C ATOM 898 C VAL A 63 -0.723 5.123 1.350 1.00 0.00 C ATOM 899 O VAL A 63 -1.216 6.024 0.673 1.00 0.00 O ATOM 900 CB VAL A 63 -0.380 6.661 3.285 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.809 6.397 3.734 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.504 7.011 4.472 1.00 0.00 C ATOM 0 H VAL A 63 1.650 6.373 1.358 1.00 0.00 H new ATOM 0 HA VAL A 63 0.208 4.586 3.208 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.389 7.513 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.191 7.270 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.433 6.199 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.828 5.533 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.090 7.875 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.548 6.163 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.509 7.246 4.121 1.00 0.00 H new ATOM 912 N ALA A 64 -0.939 3.834 1.108 1.00 0.00 N ATOM 913 CA ALA A 64 -1.790 3.396 0.008 1.00 0.00 C ATOM 914 C ALA A 64 -3.265 3.574 0.350 1.00 0.00 C ATOM 915 O ALA A 64 -3.709 3.199 1.434 1.00 0.00 O ATOM 916 CB ALA A 64 -1.498 1.943 -0.338 1.00 0.00 C ATOM 0 H ALA A 64 -0.537 3.075 1.658 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.568 4.017 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.140 1.629 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.454 1.842 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.691 1.316 0.532 1.00 0.00 H new ATOM 922 N GLU A 65 -4.019 4.150 -0.582 1.00 0.00 N ATOM 923 CA GLU A 65 -5.444 4.379 -0.376 1.00 0.00 C ATOM 924 C GLU A 65 -6.230 4.094 -1.653 1.00 0.00 C ATOM 925 O GLU A 65 -5.788 4.423 -2.754 1.00 0.00 O ATOM 926 CB GLU A 65 -5.692 5.819 0.078 1.00 0.00 C ATOM 927 CG GLU A 65 -4.856 6.231 1.278 1.00 0.00 C ATOM 928 CD GLU A 65 -5.508 7.332 2.092 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.748 7.305 2.239 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.779 8.219 2.583 1.00 0.00 O ATOM 0 H GLU A 65 -3.667 4.466 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.787 3.697 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.480 6.494 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.747 5.937 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.689 5.363 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.877 6.568 0.936 1.00 0.00 H new ATOM 937 N LEU A 66 -7.398 3.480 -1.497 1.00 0.00 N ATOM 938 CA LEU A 66 -8.247 3.150 -2.636 1.00 0.00 C ATOM 939 C LEU A 66 -9.603 3.840 -2.523 1.00 0.00 C ATOM 940 O LEU A 66 -10.497 3.364 -1.823 1.00 0.00 O ATOM 941 CB LEU A 66 -8.439 1.636 -2.732 1.00 0.00 C ATOM 942 CG LEU A 66 -9.244 1.135 -3.932 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.425 1.252 -5.209 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.691 -0.302 -3.713 1.00 0.00 C ATOM 0 H LEU A 66 -7.778 3.201 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.754 3.506 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.456 1.166 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.931 1.294 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.132 1.758 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.013 0.891 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.156 2.295 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.519 0.654 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.262 -0.641 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.816 -0.939 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.315 -0.357 -2.821 1.00 0.00 H new ATOM 956 N HIS A 67 -9.749 4.963 -3.219 1.00 0.00 N ATOM 957 CA HIS A 67 -10.997 5.718 -3.199 1.00 0.00 C ATOM 958 C HIS A 67 -12.082 4.994 -3.991 1.00 0.00 C ATOM 959 O HIS A 67 -11.968 4.825 -5.205 1.00 0.00 O ATOM 960 CB HIS A 67 -10.780 7.119 -3.771 1.00 0.00 C ATOM 961 CG HIS A 67 -9.823 7.950 -2.973 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.218 9.025 -2.205 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.480 7.858 -2.826 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.160 9.559 -1.621 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.093 8.868 -1.981 1.00 0.00 N ATOM 0 H HIS A 67 -9.019 5.370 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.324 5.804 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.409 7.032 -4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.739 7.634 -3.823 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.834 7.126 -3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.166 10.414 -0.962 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.137 9.055 -1.680 1.00 0.00 H new ATOM 974 N ILE A 68 -13.132 4.569 -3.296 1.00 0.00 N ATOM 975 CA ILE A 68 -14.236 3.865 -3.935 1.00 0.00 C ATOM 976 C ILE A 68 -15.565 4.558 -3.657 1.00 0.00 C ATOM 977 O ILE A 68 -16.141 4.408 -2.579 1.00 0.00 O ATOM 978 CB ILE A 68 -14.323 2.403 -3.458 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.974 1.703 -3.640 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.416 1.663 -4.214 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.700 1.283 -5.067 1.00 0.00 C ATOM 0 H ILE A 68 -13.241 4.700 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.040 3.878 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.574 2.397 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.179 2.371 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.941 0.823 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.465 0.631 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.375 2.151 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.193 1.675 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.728 0.794 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.474 0.590 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.701 2.162 -5.712 1.00 0.00 H new ATOM 993 N GLN A 69 -16.047 5.317 -4.636 1.00 0.00 N ATOM 994 CA GLN A 69 -17.310 6.032 -4.496 1.00 0.00 C ATOM 995 C GLN A 69 -18.468 5.205 -5.044 1.00 0.00 C ATOM 996 O GLN A 69 -18.260 4.217 -5.748 1.00 0.00 O ATOM 997 CB GLN A 69 -17.241 7.378 -5.221 1.00 0.00 C ATOM 998 CG GLN A 69 -17.042 7.250 -6.723 1.00 0.00 C ATOM 999 CD GLN A 69 -17.316 8.546 -7.460 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -18.345 8.694 -8.119 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.392 9.495 -7.352 1.00 0.00 N ATOM 0 H GLN A 69 -15.582 5.453 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.484 6.207 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.160 7.932 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.423 7.965 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.019 6.931 -6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.700 6.471 -7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.554 9.330 -6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.521 10.389 -7.826 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.688 5.615 -4.717 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.881 4.913 -5.177 1.00 0.00 C ATOM 1012 C ASP A 70 -20.811 3.432 -4.817 1.00 0.00 C ATOM 1013 O ASP A 70 -21.078 2.567 -5.651 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.043 5.076 -6.688 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.793 6.342 -7.057 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -23.040 6.303 -7.090 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -21.131 7.370 -7.312 1.00 0.00 O ATOM 0 H ASP A 70 -19.877 6.431 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.746 5.350 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.059 5.091 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.574 4.213 -7.089 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.449 3.147 -3.570 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.345 1.771 -3.100 1.00 0.00 C ATOM 1024 C ALA A 71 -21.568 0.957 -3.509 1.00 0.00 C ATOM 1025 O ALA A 71 -22.633 1.069 -2.900 1.00 0.00 O ATOM 1026 CB ALA A 71 -20.170 1.742 -1.589 1.00 0.00 C ATOM 0 H ALA A 71 -20.223 3.851 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.469 1.319 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.094 0.708 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.262 2.280 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -21.029 2.216 -1.114 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.410 0.140 -4.544 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.502 -0.693 -5.035 1.00 0.00 C ATOM 1034 C LEU A 72 -22.482 -2.065 -4.370 1.00 0.00 C ATOM 1035 O LEU A 72 -21.443 -2.550 -3.923 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.408 -0.848 -6.554 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.821 0.371 -7.380 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.886 0.017 -8.858 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.159 0.913 -6.900 1.00 0.00 C ATOM 0 H LEU A 72 -20.536 0.036 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.442 -0.202 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.380 -1.104 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.030 -1.692 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.069 1.148 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.181 0.896 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.906 -0.322 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.617 -0.777 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.437 1.780 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.922 0.142 -7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.078 1.206 -5.853 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.657 -2.709 -4.305 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.800 -4.036 -3.699 1.00 0.00 C ATOM 1053 C PRO A 73 -23.137 -5.128 -4.532 1.00 0.00 C ATOM 1054 O PRO A 73 -23.094 -6.289 -4.127 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.316 -4.244 -3.655 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.849 -3.384 -4.748 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.936 -2.191 -4.818 1.00 0.00 C ATOM 0 HA PRO A 73 -23.319 -4.092 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.577 -5.291 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.727 -3.955 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.862 -3.921 -5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.875 -3.079 -4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.839 -1.819 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.307 -1.365 -4.211 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.621 -4.747 -5.696 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.960 -5.696 -6.585 1.00 0.00 C ATOM 1067 C GLU A 74 -20.445 -5.521 -6.537 1.00 0.00 C ATOM 1068 O GLU A 74 -19.697 -6.351 -7.055 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.460 -5.517 -8.020 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.995 -4.224 -8.670 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.256 -4.195 -10.163 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.434 -4.062 -10.558 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.283 -4.306 -10.938 1.00 0.00 O ATOM 0 H GLU A 74 -22.648 -3.789 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.203 -6.703 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.120 -6.359 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.550 -5.543 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.503 -3.382 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.928 -4.094 -8.489 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.000 -4.437 -5.912 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.574 -4.153 -5.795 1.00 0.00 C ATOM 1082 C ASP A 75 -17.966 -4.900 -4.612 1.00 0.00 C ATOM 1083 O ASP A 75 -16.797 -5.287 -4.643 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.343 -2.649 -5.637 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.182 -1.945 -6.970 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -17.552 -2.528 -7.877 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -18.688 -0.812 -7.107 1.00 0.00 O ATOM 0 H ASP A 75 -20.606 -3.740 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.085 -4.494 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.182 -2.210 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.452 -2.483 -5.032 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.767 -5.100 -3.570 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.307 -5.801 -2.376 1.00 0.00 C ATOM 1094 C HIS A 76 -17.525 -7.056 -2.750 1.00 0.00 C ATOM 1095 O HIS A 76 -17.916 -7.798 -3.651 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.495 -6.171 -1.488 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.088 -7.509 -1.808 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.517 -7.859 -3.071 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.321 -8.585 -1.021 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.989 -9.093 -3.046 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -20.882 -9.556 -1.814 1.00 0.00 N ATOM 0 H HIS A 76 -19.737 -4.787 -3.528 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.645 -5.133 -1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.175 -6.164 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.266 -5.407 -1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.106 -8.665 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.394 -9.632 -3.890 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.169 -10.484 -1.502 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.417 -7.288 -2.052 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.598 -8.454 -2.327 1.00 0.00 C ATOM 1112 C GLY A 77 -14.450 -8.599 -1.348 1.00 0.00 C ATOM 1113 O GLY A 77 -14.630 -8.442 -0.139 1.00 0.00 O ATOM 0 H GLY A 77 -16.072 -6.689 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.220 -9.348 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.201 -8.385 -3.340 1.00 0.00 H new ATOM 1117 N THR A 78 -13.265 -8.902 -1.868 1.00 0.00 N ATOM 1118 CA THR A 78 -12.084 -9.072 -1.031 1.00 0.00 C ATOM 1119 C THR A 78 -10.883 -8.338 -1.619 1.00 0.00 C ATOM 1120 O THR A 78 -10.171 -8.874 -2.468 1.00 0.00 O ATOM 1121 CB THR A 78 -11.727 -10.560 -0.858 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.886 -11.298 -0.456 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.624 -10.736 0.174 1.00 0.00 C ATOM 0 H THR A 78 -13.098 -9.035 -2.865 1.00 0.00 H new ATOM 0 HA THR A 78 -12.324 -8.648 -0.056 1.00 0.00 H new ATOM 0 HB THR A 78 -11.370 -10.939 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.651 -12.243 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.389 -11.795 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.733 -10.197 -0.150 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.958 -10.342 1.134 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.665 -7.110 -1.162 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.551 -6.302 -1.644 1.00 0.00 C ATOM 1133 C TYR A 79 -8.236 -6.759 -1.020 1.00 0.00 C ATOM 1134 O TYR A 79 -8.160 -7.010 0.184 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.791 -4.825 -1.330 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.933 -4.217 -2.113 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.245 -4.337 -1.672 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.699 -3.523 -3.294 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.291 -3.784 -2.385 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.739 -2.965 -4.012 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.033 -3.099 -3.554 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.072 -2.545 -4.267 1.00 0.00 O ATOM 0 H TYR A 79 -11.245 -6.652 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.484 -6.430 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.994 -4.717 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.880 -4.265 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.451 -4.872 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.687 -3.418 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.305 -3.887 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.540 -2.427 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.719 -2.097 -5.064 1.00 0.00 H new ATOM 1152 N THR A 80 -7.200 -6.865 -1.847 1.00 0.00 N ATOM 1153 CA THR A 80 -5.888 -7.291 -1.378 1.00 0.00 C ATOM 1154 C THR A 80 -4.778 -6.486 -2.043 1.00 0.00 C ATOM 1155 O THR A 80 -4.549 -6.604 -3.248 1.00 0.00 O ATOM 1156 CB THR A 80 -5.654 -8.789 -1.651 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.616 -9.574 -0.938 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.249 -9.201 -1.237 1.00 0.00 C ATOM 0 H THR A 80 -7.245 -6.661 -2.845 1.00 0.00 H new ATOM 0 HA THR A 80 -5.865 -7.117 -0.302 1.00 0.00 H new ATOM 0 HB THR A 80 -5.767 -8.962 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.566 -10.505 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.107 -10.263 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.519 -8.623 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.114 -9.013 -0.172 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.092 -5.668 -1.253 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.005 -4.842 -1.766 1.00 0.00 C ATOM 1168 C CYS A 81 -1.698 -5.628 -1.807 1.00 0.00 C ATOM 1169 O CYS A 81 -1.150 -5.996 -0.767 1.00 0.00 O ATOM 1170 CB CYS A 81 -2.835 -3.592 -0.902 1.00 0.00 C ATOM 1171 SG CYS A 81 -1.319 -2.665 -1.234 1.00 0.00 S ATOM 0 H CYS A 81 -4.269 -5.559 -0.254 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.259 -4.541 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.691 -2.936 -1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.846 -3.885 0.148 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.396 -3.026 -0.392 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.205 -5.882 -3.014 1.00 0.00 N ATOM 1178 CA LEU A 82 0.038 -6.625 -3.191 1.00 0.00 C ATOM 1179 C LEU A 82 1.220 -5.677 -3.362 1.00 0.00 C ATOM 1180 O LEU A 82 1.357 -5.019 -4.393 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.068 -7.551 -4.404 1.00 0.00 C ATOM 1182 CG LEU A 82 1.249 -8.126 -4.926 1.00 0.00 C ATOM 1183 CD1 LEU A 82 1.985 -8.866 -3.820 1.00 0.00 C ATOM 1184 CD2 LEU A 82 0.996 -9.049 -6.110 1.00 0.00 C ATOM 0 H LEU A 82 -1.646 -5.585 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 82 0.205 -7.225 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.727 -8.380 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.548 -7.002 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 82 1.876 -7.300 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.920 -9.268 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.200 -8.178 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.364 -9.683 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.944 -9.449 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.350 -9.870 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.512 -8.489 -6.911 1.00 0.00 H new ATOM 1196 N ALA A 83 2.074 -5.614 -2.345 1.00 0.00 N ATOM 1197 CA ALA A 83 3.247 -4.750 -2.385 1.00 0.00 C ATOM 1198 C ALA A 83 4.532 -5.571 -2.417 1.00 0.00 C ATOM 1199 O ALA A 83 4.960 -6.111 -1.398 1.00 0.00 O ATOM 1200 CB ALA A 83 3.250 -3.809 -1.190 1.00 0.00 C ATOM 0 H ALA A 83 1.975 -6.151 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 83 3.201 -4.158 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.132 -3.170 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.352 -3.191 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.268 -4.391 -0.269 1.00 0.00 H new ATOM 1206 N GLU A 84 5.142 -5.660 -3.595 1.00 0.00 N ATOM 1207 CA GLU A 84 6.378 -6.416 -3.759 1.00 0.00 C ATOM 1208 C GLU A 84 7.461 -5.557 -4.405 1.00 0.00 C ATOM 1209 O GLU A 84 7.167 -4.661 -5.196 1.00 0.00 O ATOM 1210 CB GLU A 84 6.129 -7.665 -4.608 1.00 0.00 C ATOM 1211 CG GLU A 84 5.874 -7.363 -6.075 1.00 0.00 C ATOM 1212 CD GLU A 84 5.800 -8.617 -6.925 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.755 -9.300 -6.883 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.786 -8.915 -7.631 1.00 0.00 O ATOM 0 H GLU A 84 4.801 -5.218 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 84 6.721 -6.719 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.991 -8.327 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.273 -8.205 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.941 -6.808 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.668 -6.719 -6.453 1.00 0.00 H new ATOM 1221 N ASN A 85 8.714 -5.837 -4.062 1.00 0.00 N ATOM 1222 CA ASN A 85 9.841 -5.089 -4.607 1.00 0.00 C ATOM 1223 C ASN A 85 10.960 -6.031 -5.040 1.00 0.00 C ATOM 1224 O ASN A 85 10.804 -7.251 -5.012 1.00 0.00 O ATOM 1225 CB ASN A 85 10.368 -4.094 -3.571 1.00 0.00 C ATOM 1226 CG ASN A 85 11.011 -4.782 -2.383 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.116 -6.008 -2.344 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.445 -3.994 -1.406 1.00 0.00 N ATOM 0 H ASN A 85 8.975 -6.576 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 85 9.493 -4.541 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.096 -3.434 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.547 -3.467 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.886 -4.400 -0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.337 -2.982 -1.481 1.00 0.00 H new ATOM 1235 N ALA A 86 12.090 -5.455 -5.439 1.00 0.00 N ATOM 1236 CA ALA A 86 13.236 -6.242 -5.875 1.00 0.00 C ATOM 1237 C ALA A 86 13.840 -7.023 -4.712 1.00 0.00 C ATOM 1238 O ALA A 86 14.793 -7.783 -4.890 1.00 0.00 O ATOM 1239 CB ALA A 86 14.285 -5.341 -6.509 1.00 0.00 C ATOM 0 H ALA A 86 12.235 -4.446 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 86 12.891 -6.959 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.135 -5.943 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.854 -4.832 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.618 -4.602 -5.781 1.00 0.00 H new ATOM 1245 N LEU A 87 13.281 -6.830 -3.523 1.00 0.00 N ATOM 1246 CA LEU A 87 13.765 -7.517 -2.330 1.00 0.00 C ATOM 1247 C LEU A 87 12.793 -8.611 -1.900 1.00 0.00 C ATOM 1248 O LEU A 87 13.040 -9.796 -2.121 1.00 0.00 O ATOM 1249 CB LEU A 87 13.963 -6.518 -1.188 1.00 0.00 C ATOM 1250 CG LEU A 87 15.332 -5.840 -1.120 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.391 -4.659 -2.075 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.636 -5.394 0.303 1.00 0.00 C ATOM 0 H LEU A 87 12.493 -6.204 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 87 14.722 -7.980 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.200 -5.744 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.789 -7.036 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 87 16.090 -6.563 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.373 -4.189 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.219 -5.006 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.624 -3.934 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.614 -4.914 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.875 -4.688 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.637 -6.261 0.964 1.00 0.00 H new ATOM 1264 N GLY A 88 11.686 -8.205 -1.285 1.00 0.00 N ATOM 1265 CA GLY A 88 10.693 -9.164 -0.835 1.00 0.00 C ATOM 1266 C GLY A 88 9.328 -8.912 -1.443 1.00 0.00 C ATOM 1267 O GLY A 88 9.201 -8.161 -2.410 1.00 0.00 O ATOM 0 H GLY A 88 11.459 -7.230 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.022 -10.171 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.617 -9.121 0.252 1.00 0.00 H new ATOM 1271 N GLN A 89 8.304 -9.541 -0.875 1.00 0.00 N ATOM 1272 CA GLN A 89 6.941 -9.382 -1.369 1.00 0.00 C ATOM 1273 C GLN A 89 5.926 -9.771 -0.300 1.00 0.00 C ATOM 1274 O GLN A 89 6.074 -10.795 0.368 1.00 0.00 O ATOM 1275 CB GLN A 89 6.729 -10.231 -2.624 1.00 0.00 C ATOM 1276 CG GLN A 89 6.960 -11.717 -2.399 1.00 0.00 C ATOM 1277 CD GLN A 89 6.148 -12.583 -3.342 1.00 0.00 C ATOM 1278 OE1 GLN A 89 5.502 -13.543 -2.921 1.00 0.00 O ATOM 1279 NE2 GLN A 89 6.177 -12.248 -4.627 1.00 0.00 N ATOM 0 H GLN A 89 8.392 -10.165 -0.073 1.00 0.00 H new ATOM 0 HA GLN A 89 6.792 -8.332 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.712 -10.081 -2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.402 -9.882 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.019 -11.940 -2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.705 -11.969 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.726 -11.444 -4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.650 -12.794 -5.308 1.00 0.00 H new ATOM 1288 N VAL A 90 4.895 -8.948 -0.142 1.00 0.00 N ATOM 1289 CA VAL A 90 3.854 -9.206 0.845 1.00 0.00 C ATOM 1290 C VAL A 90 2.474 -8.870 0.290 1.00 0.00 C ATOM 1291 O VAL A 90 2.348 -8.115 -0.673 1.00 0.00 O ATOM 1292 CB VAL A 90 4.088 -8.394 2.133 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.447 -8.723 2.732 1.00 0.00 C ATOM 1294 CG2 VAL A 90 3.967 -6.904 1.853 1.00 0.00 C ATOM 0 H VAL A 90 4.758 -8.096 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 90 3.899 -10.269 1.081 1.00 0.00 H new ATOM 0 HB VAL A 90 3.322 -8.668 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.595 -8.140 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.492 -9.786 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.230 -8.480 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.135 -6.346 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.710 -6.612 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.969 -6.685 1.473 1.00 0.00 H new ATOM 1304 N SER A 91 1.441 -9.436 0.906 1.00 0.00 N ATOM 1305 CA SER A 91 0.069 -9.200 0.471 1.00 0.00 C ATOM 1306 C SER A 91 -0.900 -9.314 1.645 1.00 0.00 C ATOM 1307 O SER A 91 -0.803 -10.236 2.456 1.00 0.00 O ATOM 1308 CB SER A 91 -0.320 -10.194 -0.625 1.00 0.00 C ATOM 1309 OG SER A 91 -0.479 -11.499 -0.096 1.00 0.00 O ATOM 0 H SER A 91 1.528 -10.061 1.707 1.00 0.00 H new ATOM 0 HA SER A 91 0.010 -8.188 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.249 -9.874 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.446 -10.203 -1.401 1.00 0.00 H new ATOM 0 HG SER A 91 -0.729 -12.115 -0.816 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.833 -8.373 1.727 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.820 -8.366 2.801 1.00 0.00 C ATOM 1317 C CYS A 92 -4.232 -8.232 2.241 1.00 0.00 C ATOM 1318 O CYS A 92 -4.527 -7.304 1.488 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.535 -7.223 3.777 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.591 -5.580 3.025 1.00 0.00 S ATOM 0 H CYS A 92 -1.927 -7.605 1.063 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.748 -9.315 3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.260 -7.264 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.551 -7.375 4.220 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.411 -5.266 2.580 1.00 0.00 H new ATOM 1326 N SER A 93 -5.101 -9.167 2.612 1.00 0.00 N ATOM 1327 CA SER A 93 -6.481 -9.157 2.142 1.00 0.00 C ATOM 1328 C SER A 93 -7.403 -8.517 3.176 1.00 0.00 C ATOM 1329 O SER A 93 -7.008 -8.292 4.320 1.00 0.00 O ATOM 1330 CB SER A 93 -6.949 -10.581 1.838 1.00 0.00 C ATOM 1331 OG SER A 93 -6.716 -11.441 2.941 1.00 0.00 O ATOM 0 H SER A 93 -4.874 -9.941 3.237 1.00 0.00 H new ATOM 0 HA SER A 93 -6.523 -8.565 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.012 -10.574 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.425 -10.960 0.960 1.00 0.00 H new ATOM 0 HG SER A 93 -7.025 -12.345 2.722 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.632 -8.226 2.765 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.611 -7.613 3.654 1.00 0.00 C ATOM 1339 C ALA A 94 -11.034 -7.930 3.207 1.00 0.00 C ATOM 1340 O ALA A 94 -11.297 -8.096 2.016 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.398 -6.108 3.717 1.00 0.00 C ATOM 0 H ALA A 94 -8.974 -8.405 1.821 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.470 -8.031 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.136 -5.664 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.396 -5.898 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.508 -5.683 2.719 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.946 -8.013 4.168 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.343 -8.311 3.871 1.00 0.00 C ATOM 1349 C TRP A 95 -14.210 -7.067 4.028 1.00 0.00 C ATOM 1350 O TRP A 95 -14.448 -6.600 5.142 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.855 -9.423 4.789 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.320 -9.696 4.632 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.340 -9.133 5.345 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.928 -10.601 3.704 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.545 -9.634 4.916 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.320 -10.535 3.910 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.433 -11.458 2.718 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -18.219 -11.296 3.167 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -16.326 -12.213 1.982 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.706 -12.127 2.208 1.00 0.00 C ATOM 0 H TRP A 95 -11.744 -7.878 5.159 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.405 -8.646 2.836 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.298 -10.338 4.585 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.652 -9.151 5.825 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.217 -8.402 6.130 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.460 -9.376 5.287 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -14.371 -11.529 2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -19.283 -11.233 3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.954 -12.881 1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -18.378 -12.728 1.614 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.680 -6.533 2.904 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.522 -5.343 2.917 1.00 0.00 C ATOM 1373 C VAL A 96 -16.987 -5.704 2.698 1.00 0.00 C ATOM 1374 O VAL A 96 -17.314 -6.528 1.844 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.086 -4.335 1.837 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.062 -3.170 1.769 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.673 -3.843 2.108 1.00 0.00 C ATOM 0 H VAL A 96 -14.492 -6.906 1.974 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.407 -4.884 3.899 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.091 -4.839 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.738 -2.468 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.057 -3.542 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.092 -2.664 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.381 -3.132 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.638 -3.355 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.986 -4.689 2.101 1.00 0.00 H new ATOM 1387 N THR A 97 -17.867 -5.081 3.476 1.00 0.00 N ATOM 1388 CA THR A 97 -19.298 -5.337 3.368 1.00 0.00 C ATOM 1389 C THR A 97 -20.066 -4.051 3.087 1.00 0.00 C ATOM 1390 O THR A 97 -19.790 -3.008 3.680 1.00 0.00 O ATOM 1391 CB THR A 97 -19.852 -5.981 4.653 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.048 -7.108 5.021 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.294 -6.423 4.458 1.00 0.00 C ATOM 0 H THR A 97 -17.614 -4.396 4.188 1.00 0.00 H new ATOM 0 HA THR A 97 -19.434 -6.028 2.536 1.00 0.00 H new ATOM 0 HB THR A 97 -19.821 -5.237 5.449 1.00 0.00 H new ATOM 0 HG1 THR A 97 -18.953 -7.707 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.664 -6.875 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.908 -5.559 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.345 -7.153 3.650 1.00 0.00 H new ATOM 1401 N VAL A 98 -21.033 -4.131 2.178 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.843 -2.974 1.819 1.00 0.00 C ATOM 1403 C VAL A 98 -23.281 -3.139 2.297 1.00 0.00 C ATOM 1404 O VAL A 98 -24.043 -3.935 1.746 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.844 -2.740 0.296 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.566 -1.444 -0.045 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.421 -2.724 -0.241 1.00 0.00 C ATOM 0 H VAL A 98 -21.274 -4.986 1.677 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.396 -2.111 2.312 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.379 -3.562 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.557 -1.296 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.597 -1.499 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.062 -0.608 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.440 -2.558 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.860 -1.923 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.942 -3.680 -0.030 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.647 -2.383 3.327 1.00 0.00 N ATOM 1418 CA HIS A 99 -24.996 -2.445 3.880 1.00 0.00 C ATOM 1419 C HIS A 99 -26.040 -2.218 2.792 1.00 0.00 C ATOM 1420 O HIS A 99 -27.166 -1.806 3.075 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.163 -1.405 4.989 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.043 -1.404 5.983 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -23.769 -2.473 6.809 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.124 -0.455 6.280 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -22.731 -2.182 7.573 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -22.321 -0.963 7.271 1.00 0.00 N ATOM 0 H HIS A 99 -23.029 -1.721 3.796 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.145 -3.440 4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.239 -0.415 4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.101 -1.591 5.512 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -24.287 -3.352 6.828 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.039 0.520 5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -22.293 -2.830 8.317 1.00 0.00 H new