USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 741 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 83 ASN : amide:sc= -7.08! C(o=-5.9!,f=-8.2!) USER MOD Set 1.2: A 103 THR OG1 : rot 111:sc= 1.14 USER MOD Set 2.1: A 20 MET CE :methyl 178:sc= -0.302 (180deg=-0.337) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 138:sc= -0.555 (180deg=-0.453) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.891 K(o=-0.89,f=-2.6!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 39:sc= 1.08 USER MOD Single : A 49 GLN : amide:sc= -0.067 K(o=-0.067,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -0.971 K(o=-0.97,f=-0.019) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 65 SER OG : rot 7:sc= 0.088 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.4) USER MOD Single : A 84 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 85 THR OG1 : rot -9:sc= 0.94 USER MOD Single : A 89 GLN : amide:sc= -0.955 K(o=-0.96,f=-0.25) USER MOD Single : A 90 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-2.2) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 95 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.52) USER MOD Single : A 101 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.18) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 27:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 4.050 -12.544 -12.894 1.00 0.00 N ATOM 122 CA ASP A 12 3.693 -11.268 -13.502 1.00 0.00 C ATOM 123 C ASP A 12 3.158 -10.296 -12.454 1.00 0.00 C ATOM 124 O ASP A 12 2.715 -10.707 -11.381 1.00 0.00 O ATOM 125 CB ASP A 12 2.649 -11.476 -14.601 1.00 0.00 C ATOM 126 CG ASP A 12 1.546 -12.427 -14.179 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.614 -11.980 -13.478 1.00 0.00 O ATOM 128 OD2 ASP A 12 1.614 -13.617 -14.550 1.00 0.00 O ATOM 0 HA ASP A 12 4.594 -10.840 -13.943 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.212 -10.514 -14.870 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.138 -11.865 -15.494 1.00 0.00 H new ATOM 133 N PHE A 13 3.205 -9.007 -12.772 1.00 0.00 N ATOM 134 CA PHE A 13 2.727 -7.977 -11.857 1.00 0.00 C ATOM 135 C PHE A 13 1.406 -8.390 -11.214 1.00 0.00 C ATOM 136 O PHE A 13 1.242 -8.304 -9.998 1.00 0.00 O ATOM 137 CB PHE A 13 2.554 -6.648 -12.596 1.00 0.00 C ATOM 138 CG PHE A 13 1.902 -5.580 -11.765 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.330 -5.332 -10.471 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.860 -4.825 -12.278 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.733 -4.350 -9.704 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.258 -3.841 -11.516 1.00 0.00 C ATOM 143 CZ PHE A 13 0.694 -3.604 -10.227 1.00 0.00 C ATOM 0 H PHE A 13 3.569 -8.651 -13.656 1.00 0.00 H new ATOM 0 HA PHE A 13 3.471 -7.853 -11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.531 -6.295 -12.925 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.957 -6.815 -13.492 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.140 -5.913 -10.057 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.514 -5.007 -13.285 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.078 -4.166 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.552 -3.258 -11.928 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.224 -2.837 -9.629 1.00 0.00 H new ATOM 153 N ASN A 14 0.467 -8.837 -12.041 1.00 0.00 N ATOM 154 CA ASN A 14 -0.840 -9.262 -11.555 1.00 0.00 C ATOM 155 C ASN A 14 -0.709 -10.456 -10.614 1.00 0.00 C ATOM 156 O ASN A 14 -1.522 -10.638 -9.708 1.00 0.00 O ATOM 157 CB ASN A 14 -1.752 -9.622 -12.730 1.00 0.00 C ATOM 158 CG ASN A 14 -2.343 -8.397 -13.400 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.333 -7.835 -12.931 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.736 -7.976 -14.504 1.00 0.00 N ATOM 0 H ASN A 14 0.587 -8.914 -13.051 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.281 -8.433 -11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.186 -10.196 -13.463 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.559 -10.264 -12.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.088 -7.156 -14.998 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.918 -8.472 -14.857 1.00 0.00 H new ATOM 167 N SER A 15 0.321 -11.266 -10.836 1.00 0.00 N ATOM 168 CA SER A 15 0.558 -12.445 -10.010 1.00 0.00 C ATOM 169 C SER A 15 1.168 -12.054 -8.668 1.00 0.00 C ATOM 170 O SER A 15 0.629 -12.379 -7.610 1.00 0.00 O ATOM 171 CB SER A 15 1.481 -13.425 -10.737 1.00 0.00 C ATOM 172 OG SER A 15 1.319 -14.742 -10.240 1.00 0.00 O ATOM 0 H SER A 15 1.005 -11.128 -11.580 1.00 0.00 H new ATOM 0 HA SER A 15 -0.401 -12.929 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.266 -13.407 -11.806 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.518 -13.112 -10.615 1.00 0.00 H new ATOM 0 HG SER A 15 1.918 -15.349 -10.722 1.00 0.00 H new ATOM 178 N VAL A 16 2.296 -11.353 -8.719 1.00 0.00 N ATOM 179 CA VAL A 16 2.980 -10.916 -7.508 1.00 0.00 C ATOM 180 C VAL A 16 2.007 -10.267 -6.531 1.00 0.00 C ATOM 181 O VAL A 16 2.024 -10.559 -5.335 1.00 0.00 O ATOM 182 CB VAL A 16 4.109 -9.919 -7.830 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.613 -8.839 -8.779 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.658 -9.305 -6.551 1.00 0.00 C ATOM 0 H VAL A 16 2.756 -11.076 -9.586 1.00 0.00 H new ATOM 0 HA VAL A 16 3.411 -11.806 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 16 4.917 -10.459 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.424 -8.144 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.272 -9.298 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.787 -8.300 -8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.455 -8.603 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.859 -8.779 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.054 -10.093 -5.910 1.00 0.00 H new ATOM 194 N ILE A 17 1.159 -9.384 -7.048 1.00 0.00 N ATOM 195 CA ILE A 17 0.177 -8.694 -6.221 1.00 0.00 C ATOM 196 C ILE A 17 -0.810 -9.679 -5.603 1.00 0.00 C ATOM 197 O ILE A 17 -1.047 -9.659 -4.396 1.00 0.00 O ATOM 198 CB ILE A 17 -0.604 -7.643 -7.033 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.337 -6.537 -7.514 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.733 -7.060 -6.197 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.129 -5.890 -6.399 1.00 0.00 C ATOM 0 H ILE A 17 1.132 -9.130 -8.035 1.00 0.00 H new ATOM 0 HA ILE A 17 0.730 -8.191 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.039 -8.129 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.029 -6.953 -8.246 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.247 -5.772 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.275 -6.319 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.414 -7.857 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.319 -6.585 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.775 -5.116 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.444 -5.444 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.740 -6.644 -5.902 1.00 0.00 H new ATOM 213 N GLN A 18 -1.382 -10.539 -6.440 1.00 0.00 N ATOM 214 CA GLN A 18 -2.343 -11.532 -5.975 1.00 0.00 C ATOM 215 C GLN A 18 -1.712 -12.457 -4.939 1.00 0.00 C ATOM 216 O GLN A 18 -2.390 -12.946 -4.036 1.00 0.00 O ATOM 217 CB GLN A 18 -2.871 -12.353 -7.153 1.00 0.00 C ATOM 218 CG GLN A 18 -4.043 -11.703 -7.870 1.00 0.00 C ATOM 219 CD GLN A 18 -5.195 -11.386 -6.937 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.245 -11.871 -5.806 1.00 0.00 O ATOM 221 NE2 GLN A 18 -6.129 -10.567 -7.406 1.00 0.00 N ATOM 0 H GLN A 18 -1.197 -10.568 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.174 -11.004 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.062 -12.512 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.176 -13.336 -6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.706 -10.784 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.393 -12.366 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.048 -10.188 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.928 -10.317 -6.823 1.00 0.00 H new ATOM 230 N GLN A 19 -0.411 -12.691 -5.076 1.00 0.00 N ATOM 231 CA GLN A 19 0.310 -13.558 -4.152 1.00 0.00 C ATOM 232 C GLN A 19 0.546 -12.856 -2.818 1.00 0.00 C ATOM 233 O GLN A 19 0.471 -13.475 -1.758 1.00 0.00 O ATOM 234 CB GLN A 19 1.647 -13.986 -4.759 1.00 0.00 C ATOM 235 CG GLN A 19 1.511 -15.027 -5.858 1.00 0.00 C ATOM 236 CD GLN A 19 2.824 -15.712 -6.181 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.025 -16.882 -5.854 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.728 -14.984 -6.826 1.00 0.00 N ATOM 0 H GLN A 19 0.165 -12.293 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.300 -14.443 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.151 -13.108 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.284 -14.385 -3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.780 -15.776 -5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.124 -14.550 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.519 -14.018 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.631 -15.391 -7.070 1.00 0.00 H new ATOM 247 N MET A 20 0.831 -11.559 -2.880 1.00 0.00 N ATOM 248 CA MET A 20 1.077 -10.773 -1.677 1.00 0.00 C ATOM 249 C MET A 20 -0.225 -10.504 -0.928 1.00 0.00 C ATOM 250 O MET A 20 -0.255 -10.505 0.302 1.00 0.00 O ATOM 251 CB MET A 20 1.754 -9.449 -2.036 1.00 0.00 C ATOM 252 CG MET A 20 3.065 -9.621 -2.786 1.00 0.00 C ATOM 253 SD MET A 20 3.416 -8.245 -3.897 1.00 0.00 S ATOM 254 CE MET A 20 4.036 -7.026 -2.740 1.00 0.00 C ATOM 0 H MET A 20 0.897 -11.031 -3.750 1.00 0.00 H new ATOM 0 HA MET A 20 1.738 -11.347 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.072 -8.855 -2.644 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.939 -8.885 -1.122 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.879 -9.720 -2.068 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.032 -10.547 -3.360 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.330 -6.127 -3.282 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.256 -6.777 -2.021 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.900 -7.431 -2.213 1.00 0.00 H new ATOM 264 N ALA A 21 -1.298 -10.275 -1.678 1.00 0.00 N ATOM 265 CA ALA A 21 -2.602 -10.007 -1.084 1.00 0.00 C ATOM 266 C ALA A 21 -3.236 -11.287 -0.551 1.00 0.00 C ATOM 267 O ALA A 21 -3.863 -11.284 0.508 1.00 0.00 O ATOM 268 CB ALA A 21 -3.519 -9.345 -2.102 1.00 0.00 C ATOM 0 H ALA A 21 -1.290 -10.270 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.459 -9.327 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.489 -9.150 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.078 -8.404 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.648 -10.005 -2.960 1.00 0.00 H new ATOM 274 N GLN A 22 -3.068 -12.378 -1.291 1.00 0.00 N ATOM 275 CA GLN A 22 -3.626 -13.664 -0.892 1.00 0.00 C ATOM 276 C GLN A 22 -5.150 -13.626 -0.910 1.00 0.00 C ATOM 277 O GLN A 22 -5.805 -14.130 0.001 1.00 0.00 O ATOM 278 CB GLN A 22 -3.130 -14.048 0.503 1.00 0.00 C ATOM 279 CG GLN A 22 -1.618 -13.998 0.647 1.00 0.00 C ATOM 280 CD GLN A 22 -1.093 -15.007 1.649 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.754 -14.658 2.780 1.00 0.00 O ATOM 282 NE2 GLN A 22 -1.022 -16.268 1.238 1.00 0.00 N ATOM 0 H GLN A 22 -2.550 -12.397 -2.170 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.292 -14.414 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.579 -13.378 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.476 -15.055 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.158 -14.183 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.319 -12.996 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.314 -16.513 0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.676 -16.991 1.869 1.00 0.00 H new ATOM 291 N GLY A 23 -5.710 -13.023 -1.955 1.00 0.00 N ATOM 292 CA GLY A 23 -7.153 -12.930 -2.072 1.00 0.00 C ATOM 293 C GLY A 23 -7.699 -11.636 -1.501 1.00 0.00 C ATOM 294 O GLY A 23 -8.728 -11.135 -1.954 1.00 0.00 O ATOM 0 H GLY A 23 -5.190 -12.598 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.435 -13.008 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.611 -13.773 -1.556 1.00 0.00 H new ATOM 298 N ARG A 24 -7.008 -11.093 -0.504 1.00 0.00 N ATOM 299 CA ARG A 24 -7.431 -9.851 0.132 1.00 0.00 C ATOM 300 C ARG A 24 -7.922 -8.849 -0.908 1.00 0.00 C ATOM 301 O ARG A 24 -7.309 -8.682 -1.962 1.00 0.00 O ATOM 302 CB ARG A 24 -6.278 -9.246 0.935 1.00 0.00 C ATOM 303 CG ARG A 24 -6.195 -9.759 2.363 1.00 0.00 C ATOM 304 CD ARG A 24 -4.929 -9.278 3.055 1.00 0.00 C ATOM 305 NE ARG A 24 -3.798 -10.169 2.808 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.560 -9.914 3.215 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.294 -8.801 3.885 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.584 -10.774 2.952 1.00 0.00 N ATOM 0 H ARG A 24 -6.153 -11.494 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.254 -10.080 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.339 -9.462 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.389 -8.162 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.067 -9.422 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.218 -10.849 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.684 -8.275 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.107 -9.207 4.128 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.969 -11.034 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.041 -8.138 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.342 -8.608 4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.785 -11.631 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.633 -10.578 3.265 1.00 0.00 H new ATOM 322 N GLN A 25 -9.033 -8.185 -0.604 1.00 0.00 N ATOM 323 CA GLN A 25 -9.607 -7.200 -1.513 1.00 0.00 C ATOM 324 C GLN A 25 -8.637 -6.046 -1.748 1.00 0.00 C ATOM 325 O GLN A 25 -8.399 -5.231 -0.856 1.00 0.00 O ATOM 326 CB GLN A 25 -10.927 -6.666 -0.953 1.00 0.00 C ATOM 327 CG GLN A 25 -11.489 -5.491 -1.737 1.00 0.00 C ATOM 328 CD GLN A 25 -12.945 -5.217 -1.414 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.480 -5.725 -0.428 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.594 -4.412 -2.246 1.00 0.00 N ATOM 0 H GLN A 25 -9.553 -8.311 0.264 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.797 -7.691 -2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.661 -7.472 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.776 -6.362 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.899 -4.600 -1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.389 -5.690 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.111 -4.013 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.576 -4.192 -2.081 1.00 0.00 H new ATOM 339 N ILE A 26 -8.081 -5.983 -2.953 1.00 0.00 N ATOM 340 CA ILE A 26 -7.138 -4.929 -3.305 1.00 0.00 C ATOM 341 C ILE A 26 -7.866 -3.676 -3.780 1.00 0.00 C ATOM 342 O ILE A 26 -8.903 -3.762 -4.438 1.00 0.00 O ATOM 343 CB ILE A 26 -6.162 -5.390 -4.403 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.452 -6.677 -3.978 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.150 -4.295 -4.706 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.812 -7.422 -5.128 1.00 0.00 C ATOM 0 H ILE A 26 -8.267 -6.650 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.573 -4.697 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.730 -5.594 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.686 -6.434 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.170 -7.333 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.467 -4.636 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.672 -3.401 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.585 -4.062 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.327 -8.323 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.577 -7.697 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.070 -6.784 -5.607 1.00 0.00 H new ATOM 358 N GLU A 27 -7.315 -2.514 -3.445 1.00 0.00 N ATOM 359 CA GLU A 27 -7.912 -1.244 -3.839 1.00 0.00 C ATOM 360 C GLU A 27 -6.836 -0.236 -4.234 1.00 0.00 C ATOM 361 O GLU A 27 -5.807 -0.118 -3.569 1.00 0.00 O ATOM 362 CB GLU A 27 -8.762 -0.679 -2.699 1.00 0.00 C ATOM 363 CG GLU A 27 -10.147 -1.296 -2.608 1.00 0.00 C ATOM 364 CD GLU A 27 -10.988 -1.026 -3.841 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.831 0.058 -4.440 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.804 -1.899 -4.205 1.00 0.00 O ATOM 0 H GLU A 27 -6.456 -2.426 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.551 -1.425 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.240 -0.838 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.862 0.398 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.052 -2.373 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.659 -0.902 -1.730 1.00 0.00 H new ATOM 373 N TYR A 28 -7.082 0.486 -5.321 1.00 0.00 N ATOM 374 CA TYR A 28 -6.134 1.482 -5.808 1.00 0.00 C ATOM 375 C TYR A 28 -6.326 2.814 -5.089 1.00 0.00 C ATOM 376 O TYR A 28 -7.316 3.513 -5.308 1.00 0.00 O ATOM 377 CB TYR A 28 -6.296 1.676 -7.316 1.00 0.00 C ATOM 378 CG TYR A 28 -6.578 0.393 -8.065 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.770 -0.725 -7.896 1.00 0.00 C ATOM 380 CD2 TYR A 28 -7.651 0.299 -8.943 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.023 -1.899 -8.579 1.00 0.00 C ATOM 382 CE2 TYR A 28 -7.913 -0.871 -9.628 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.096 -1.967 -9.443 1.00 0.00 C ATOM 384 OH TYR A 28 -7.352 -3.135 -10.125 1.00 0.00 O ATOM 0 H TYR A 28 -7.930 0.401 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.127 1.120 -5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.109 2.379 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.388 2.128 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.930 -0.675 -7.219 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.291 1.156 -9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.384 -2.758 -8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.753 -0.928 -10.305 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.143 -3.017 -10.691 1.00 0.00 H new ATOM 394 N ILE A 29 -5.372 3.158 -4.231 1.00 0.00 N ATOM 395 CA ILE A 29 -5.434 4.406 -3.481 1.00 0.00 C ATOM 396 C ILE A 29 -4.635 5.505 -4.175 1.00 0.00 C ATOM 397 O ILE A 29 -3.408 5.545 -4.085 1.00 0.00 O ATOM 398 CB ILE A 29 -4.901 4.228 -2.047 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.574 3.029 -1.375 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.131 5.495 -1.235 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.021 3.276 -1.008 1.00 0.00 C ATOM 0 H ILE A 29 -4.547 2.590 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.484 4.696 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.828 4.040 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.519 2.170 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.018 2.768 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.749 5.354 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.610 6.329 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.199 5.711 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.434 2.384 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.082 4.115 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.590 3.507 -1.908 1.00 0.00 H new ATOM 413 N ASP A 30 -5.340 6.395 -4.865 1.00 0.00 N ATOM 414 CA ASP A 30 -4.697 7.496 -5.572 1.00 0.00 C ATOM 415 C ASP A 30 -4.649 8.747 -4.700 1.00 0.00 C ATOM 416 O ASP A 30 -5.672 9.193 -4.179 1.00 0.00 O ATOM 417 CB ASP A 30 -5.440 7.796 -6.875 1.00 0.00 C ATOM 418 CG ASP A 30 -4.661 8.728 -7.783 1.00 0.00 C ATOM 419 OD1 ASP A 30 -3.805 8.233 -8.546 1.00 0.00 O ATOM 420 OD2 ASP A 30 -4.908 9.951 -7.731 1.00 0.00 O ATOM 0 H ASP A 30 -6.356 6.375 -4.950 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.675 7.198 -5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.637 6.862 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.407 8.242 -6.644 1.00 0.00 H new ATOM 425 N ILE A 31 -3.455 9.308 -4.544 1.00 0.00 N ATOM 426 CA ILE A 31 -3.274 10.507 -3.735 1.00 0.00 C ATOM 427 C ILE A 31 -2.692 11.647 -4.564 1.00 0.00 C ATOM 428 O ILE A 31 -1.696 11.471 -5.265 1.00 0.00 O ATOM 429 CB ILE A 31 -2.351 10.240 -2.531 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.000 9.235 -1.577 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.038 11.540 -1.806 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.039 8.661 -0.560 1.00 0.00 C ATOM 0 H ILE A 31 -2.598 8.951 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.260 10.793 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.416 9.815 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.822 9.722 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.431 8.420 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.385 11.335 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.540 12.227 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.965 11.990 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.567 7.957 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.229 8.145 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.627 9.467 0.047 1.00 0.00 H new ATOM 444 N GLU A 32 -3.320 12.815 -4.478 1.00 0.00 N ATOM 445 CA GLU A 32 -2.863 13.985 -5.220 1.00 0.00 C ATOM 446 C GLU A 32 -1.640 14.608 -4.554 1.00 0.00 C ATOM 447 O GLU A 32 -1.766 15.448 -3.663 1.00 0.00 O ATOM 448 CB GLU A 32 -3.984 15.021 -5.323 1.00 0.00 C ATOM 449 CG GLU A 32 -3.928 15.853 -6.593 1.00 0.00 C ATOM 450 CD GLU A 32 -3.088 17.105 -6.434 1.00 0.00 C ATOM 451 OE1 GLU A 32 -2.005 17.019 -5.818 1.00 0.00 O ATOM 452 OE2 GLU A 32 -3.514 18.172 -6.924 1.00 0.00 O ATOM 0 H GLU A 32 -4.146 12.977 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.584 13.661 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.945 14.510 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.934 15.686 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.520 15.247 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.940 16.134 -6.884 1.00 0.00 H new ATOM 459 N ARG A 33 -0.457 14.189 -4.992 1.00 0.00 N ATOM 460 CA ARG A 33 0.789 14.704 -4.437 1.00 0.00 C ATOM 461 C ARG A 33 0.784 16.230 -4.414 1.00 0.00 C ATOM 462 O ARG A 33 0.679 16.891 -5.447 1.00 0.00 O ATOM 463 CB ARG A 33 1.982 14.200 -5.252 1.00 0.00 C ATOM 464 CG ARG A 33 2.511 12.853 -4.788 1.00 0.00 C ATOM 465 CD ARG A 33 3.552 13.011 -3.691 1.00 0.00 C ATOM 466 NE ARG A 33 4.690 13.814 -4.130 1.00 0.00 N ATOM 467 CZ ARG A 33 5.855 13.848 -3.492 1.00 0.00 C ATOM 468 NH1 ARG A 33 6.035 13.126 -2.394 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.844 14.604 -3.953 1.00 0.00 N ATOM 0 H ARG A 33 -0.335 13.495 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 33 0.878 14.342 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.690 14.125 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.785 14.935 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.685 12.243 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.949 12.322 -5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.093 13.478 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.901 12.027 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 33 4.585 14.380 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.278 12.543 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.930 13.154 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.710 15.160 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.738 14.629 -3.462 1.00 0.00 H new ATOM 536 N LEU A 39 2.331 13.859 1.846 1.00 0.00 N ATOM 537 CA LEU A 39 1.229 12.942 1.574 1.00 0.00 C ATOM 538 C LEU A 39 0.173 13.019 2.672 1.00 0.00 C ATOM 539 O LEU A 39 -1.022 12.898 2.407 1.00 0.00 O ATOM 540 CB LEU A 39 1.750 11.509 1.451 1.00 0.00 C ATOM 541 CG LEU A 39 3.166 11.355 0.895 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.486 9.889 0.650 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.326 12.159 -0.387 1.00 0.00 C ATOM 0 HA LEU A 39 0.768 13.236 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.716 11.045 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.067 10.949 0.812 1.00 0.00 H new ATOM 0 HG LEU A 39 3.870 11.741 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.498 9.799 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.413 9.339 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.777 9.477 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.340 12.038 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.613 11.803 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.140 13.213 -0.181 1.00 0.00 H new ATOM 555 N GLY A 40 0.623 13.224 3.906 1.00 0.00 N ATOM 556 CA GLY A 40 -0.296 13.316 5.025 1.00 0.00 C ATOM 557 C GLY A 40 -0.560 11.970 5.671 1.00 0.00 C ATOM 558 O GLY A 40 -1.463 11.836 6.497 1.00 0.00 O ATOM 0 H GLY A 40 1.608 13.328 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.111 14.000 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.239 13.742 4.683 1.00 0.00 H new ATOM 562 N PHE A 41 0.227 10.969 5.292 1.00 0.00 N ATOM 563 CA PHE A 41 0.072 9.626 5.837 1.00 0.00 C ATOM 564 C PHE A 41 1.431 8.975 6.076 1.00 0.00 C ATOM 565 O PHE A 41 2.333 9.073 5.243 1.00 0.00 O ATOM 566 CB PHE A 41 -0.761 8.761 4.889 1.00 0.00 C ATOM 567 CG PHE A 41 0.025 8.211 3.733 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.909 7.160 3.916 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.121 8.745 2.463 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.634 6.653 2.854 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.601 8.242 1.397 1.00 0.00 C ATOM 572 CZ PHE A 41 1.479 7.194 1.593 1.00 0.00 C ATOM 0 H PHE A 41 0.979 11.063 4.609 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.445 9.707 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.193 7.933 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.591 9.353 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.033 6.732 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.807 9.564 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.321 5.835 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.479 8.668 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.043 6.798 0.761 1.00 0.00 H new ATOM 582 N SER A 42 1.571 8.311 7.219 1.00 0.00 N ATOM 583 CA SER A 42 2.821 7.648 7.570 1.00 0.00 C ATOM 584 C SER A 42 2.760 6.161 7.234 1.00 0.00 C ATOM 585 O SER A 42 1.711 5.642 6.852 1.00 0.00 O ATOM 586 CB SER A 42 3.121 7.834 9.059 1.00 0.00 C ATOM 587 OG SER A 42 3.860 9.021 9.285 1.00 0.00 O ATOM 0 H SER A 42 0.834 8.218 7.918 1.00 0.00 H new ATOM 0 HA SER A 42 3.621 8.102 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.187 7.871 9.620 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.682 6.976 9.430 1.00 0.00 H new ATOM 0 HG SER A 42 4.038 9.118 10.244 1.00 0.00 H new ATOM 593 N VAL A 43 3.892 5.481 7.380 1.00 0.00 N ATOM 594 CA VAL A 43 3.969 4.053 7.094 1.00 0.00 C ATOM 595 C VAL A 43 4.898 3.345 8.074 1.00 0.00 C ATOM 596 O VAL A 43 5.861 3.932 8.568 1.00 0.00 O ATOM 597 CB VAL A 43 4.463 3.794 5.658 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.474 4.352 4.645 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.845 4.396 5.454 1.00 0.00 C ATOM 0 H VAL A 43 4.769 5.896 7.695 1.00 0.00 H new ATOM 0 HA VAL A 43 2.960 3.654 7.201 1.00 0.00 H new ATOM 0 HB VAL A 43 4.535 2.717 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.839 4.160 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.506 3.870 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.368 5.427 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.179 4.204 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.802 5.472 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.546 3.945 6.156 1.00 0.00 H new ATOM 609 N VAL A 44 4.602 2.079 8.351 1.00 0.00 N ATOM 610 CA VAL A 44 5.411 1.289 9.272 1.00 0.00 C ATOM 611 C VAL A 44 6.038 0.093 8.565 1.00 0.00 C ATOM 612 O VAL A 44 5.372 -0.610 7.805 1.00 0.00 O ATOM 613 CB VAL A 44 4.576 0.787 10.464 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.363 1.904 11.475 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.244 0.230 9.985 1.00 0.00 C ATOM 0 H VAL A 44 3.808 1.579 7.951 1.00 0.00 H new ATOM 0 HA VAL A 44 6.200 1.944 9.642 1.00 0.00 H new ATOM 0 HB VAL A 44 5.124 -0.017 10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.771 1.531 12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.329 2.252 11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.837 2.731 10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.667 -0.120 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.688 1.012 9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.421 -0.601 9.303 1.00 0.00 H new ATOM 625 N ALA A 45 7.322 -0.133 8.820 1.00 0.00 N ATOM 626 CA ALA A 45 8.039 -1.246 8.210 1.00 0.00 C ATOM 627 C ALA A 45 8.036 -2.467 9.123 1.00 0.00 C ATOM 628 O ALA A 45 8.458 -2.393 10.278 1.00 0.00 O ATOM 629 CB ALA A 45 9.466 -0.837 7.878 1.00 0.00 C ATOM 0 H ALA A 45 7.888 0.440 9.446 1.00 0.00 H new ATOM 0 HA ALA A 45 7.526 -1.514 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.989 -1.678 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.452 0.001 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.981 -0.540 8.792 1.00 0.00 H new ATOM 635 N LEU A 46 7.557 -3.590 8.600 1.00 0.00 N ATOM 636 CA LEU A 46 7.498 -4.829 9.369 1.00 0.00 C ATOM 637 C LEU A 46 7.686 -6.041 8.463 1.00 0.00 C ATOM 638 O LEU A 46 6.828 -6.351 7.637 1.00 0.00 O ATOM 639 CB LEU A 46 6.162 -4.931 10.106 1.00 0.00 C ATOM 640 CG LEU A 46 5.791 -3.742 10.993 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.288 -3.687 11.212 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.524 -3.822 12.325 1.00 0.00 C ATOM 0 H LEU A 46 7.204 -3.669 7.646 1.00 0.00 H new ATOM 0 HA LEU A 46 8.308 -4.815 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.372 -5.068 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.179 -5.828 10.724 1.00 0.00 H new ATOM 0 HG LEU A 46 6.096 -2.826 10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.044 -2.834 11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.784 -3.582 10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.957 -4.606 11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.248 -2.968 12.944 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.249 -4.745 12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.600 -3.811 12.150 1.00 0.00 H new ATOM 654 N ARG A 47 8.814 -6.726 8.626 1.00 0.00 N ATOM 655 CA ARG A 47 9.114 -7.905 7.824 1.00 0.00 C ATOM 656 C ARG A 47 7.869 -8.766 7.635 1.00 0.00 C ATOM 657 O ARG A 47 7.246 -9.196 8.606 1.00 0.00 O ATOM 658 CB ARG A 47 10.221 -8.729 8.484 1.00 0.00 C ATOM 659 CG ARG A 47 11.062 -9.522 7.497 1.00 0.00 C ATOM 660 CD ARG A 47 10.272 -10.670 6.889 1.00 0.00 C ATOM 661 NE ARG A 47 9.887 -11.661 7.891 1.00 0.00 N ATOM 662 CZ ARG A 47 10.688 -12.635 8.307 1.00 0.00 C ATOM 663 NH1 ARG A 47 11.912 -12.748 7.811 1.00 0.00 N ATOM 664 NH2 ARG A 47 10.266 -13.498 9.222 1.00 0.00 N ATOM 0 H ARG A 47 9.534 -6.484 9.306 1.00 0.00 H new ATOM 0 HA ARG A 47 9.455 -7.569 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.872 -8.061 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.772 -9.417 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.415 -8.862 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.945 -9.914 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.378 -10.278 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.869 -11.151 6.114 1.00 0.00 H new ATOM 0 HE ARG A 47 8.952 -11.601 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.241 -12.086 7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.525 -13.497 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.325 -13.414 9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.882 -14.246 9.541 1.00 0.00 H new ATOM 678 N SER A 48 7.511 -9.013 6.379 1.00 0.00 N ATOM 679 CA SER A 48 6.337 -9.819 6.063 1.00 0.00 C ATOM 680 C SER A 48 6.549 -11.272 6.476 1.00 0.00 C ATOM 681 O SER A 48 7.613 -11.638 6.973 1.00 0.00 O ATOM 682 CB SER A 48 6.028 -9.742 4.567 1.00 0.00 C ATOM 683 OG SER A 48 4.655 -9.989 4.316 1.00 0.00 O ATOM 0 H SER A 48 8.017 -8.667 5.564 1.00 0.00 H new ATOM 0 HA SER A 48 5.491 -9.420 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.299 -8.757 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.636 -10.470 4.029 1.00 0.00 H new ATOM 0 HG SER A 48 4.113 -9.563 5.013 1.00 0.00 H new ATOM 689 N GLN A 49 5.526 -12.095 6.267 1.00 0.00 N ATOM 690 CA GLN A 49 5.599 -13.508 6.618 1.00 0.00 C ATOM 691 C GLN A 49 5.877 -14.362 5.386 1.00 0.00 C ATOM 692 O GLN A 49 6.214 -15.540 5.498 1.00 0.00 O ATOM 693 CB GLN A 49 4.297 -13.958 7.282 1.00 0.00 C ATOM 694 CG GLN A 49 3.997 -13.236 8.586 1.00 0.00 C ATOM 695 CD GLN A 49 2.523 -13.260 8.941 1.00 0.00 C ATOM 696 OE1 GLN A 49 1.661 -13.173 8.066 1.00 0.00 O ATOM 697 NE2 GLN A 49 2.226 -13.379 10.230 1.00 0.00 N ATOM 0 H GLN A 49 4.638 -11.807 5.857 1.00 0.00 H new ATOM 0 HA GLN A 49 6.422 -13.639 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.471 -13.797 6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.348 -15.030 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.568 -13.697 9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.332 -12.201 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.973 -13.448 10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.251 -13.401 10.529 1.00 0.00 H new ATOM 706 N ASN A 50 5.732 -13.760 4.210 1.00 0.00 N ATOM 707 CA ASN A 50 5.967 -14.465 2.955 1.00 0.00 C ATOM 708 C ASN A 50 7.411 -14.950 2.866 1.00 0.00 C ATOM 709 O ASN A 50 7.684 -16.147 2.973 1.00 0.00 O ATOM 710 CB ASN A 50 5.648 -13.556 1.767 1.00 0.00 C ATOM 711 CG ASN A 50 5.179 -14.335 0.553 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.013 -14.258 0.164 1.00 0.00 O ATOM 713 ND2 ASN A 50 6.088 -15.090 -0.053 1.00 0.00 N ATOM 0 H ASN A 50 5.453 -12.785 4.100 1.00 0.00 H new ATOM 0 HA ASN A 50 5.308 -15.333 2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.878 -12.841 2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.535 -12.980 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.831 -15.636 -0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.043 -15.124 0.304 1.00 0.00 H new ATOM 720 N LEU A 51 8.332 -14.014 2.669 1.00 0.00 N ATOM 721 CA LEU A 51 9.749 -14.344 2.565 1.00 0.00 C ATOM 722 C LEU A 51 10.595 -13.082 2.432 1.00 0.00 C ATOM 723 O LEU A 51 10.185 -12.112 1.795 1.00 0.00 O ATOM 724 CB LEU A 51 9.993 -15.263 1.367 1.00 0.00 C ATOM 725 CG LEU A 51 10.412 -14.575 0.068 1.00 0.00 C ATOM 726 CD1 LEU A 51 11.036 -15.578 -0.890 1.00 0.00 C ATOM 727 CD2 LEU A 51 9.220 -13.886 -0.580 1.00 0.00 C ATOM 0 H LEU A 51 8.123 -13.020 2.578 1.00 0.00 H new ATOM 0 HA LEU A 51 10.043 -14.861 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.765 -15.983 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.081 -15.829 1.177 1.00 0.00 H new ATOM 0 HG LEU A 51 11.159 -13.817 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.328 -15.070 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.916 -16.025 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.312 -16.359 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.537 -13.402 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.450 -14.625 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.817 -13.137 0.102 1.00 0.00 H new ATOM 739 N GLY A 52 11.779 -13.102 3.037 1.00 0.00 N ATOM 740 CA GLY A 52 12.664 -11.954 2.972 1.00 0.00 C ATOM 741 C GLY A 52 12.009 -10.752 2.323 1.00 0.00 C ATOM 742 O GLY A 52 12.230 -10.476 1.143 1.00 0.00 O ATOM 0 H GLY A 52 12.141 -13.892 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.985 -11.689 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.560 -12.222 2.412 1.00 0.00 H new ATOM 746 N LYS A 53 11.197 -10.034 3.093 1.00 0.00 N ATOM 747 CA LYS A 53 10.506 -8.855 2.586 1.00 0.00 C ATOM 748 C LYS A 53 9.906 -8.043 3.730 1.00 0.00 C ATOM 749 O LYS A 53 9.904 -8.480 4.881 1.00 0.00 O ATOM 750 CB LYS A 53 9.405 -9.265 1.605 1.00 0.00 C ATOM 751 CG LYS A 53 8.206 -9.914 2.274 1.00 0.00 C ATOM 752 CD LYS A 53 7.082 -10.164 1.282 1.00 0.00 C ATOM 753 CE LYS A 53 6.688 -8.888 0.554 1.00 0.00 C ATOM 754 NZ LYS A 53 5.378 -9.028 -0.141 1.00 0.00 N ATOM 0 H LYS A 53 11.002 -10.249 4.071 1.00 0.00 H new ATOM 0 HA LYS A 53 11.234 -8.234 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.072 -8.384 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.821 -9.957 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.508 -10.858 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.846 -9.273 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.395 -10.916 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.216 -10.568 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.635 -8.065 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.459 -8.631 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.818 -8.163 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.539 -9.179 -1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.862 -9.841 0.252 1.00 0.00 H new ATOM 768 N VAL A 54 9.395 -6.859 3.405 1.00 0.00 N ATOM 769 CA VAL A 54 8.789 -5.988 4.405 1.00 0.00 C ATOM 770 C VAL A 54 7.402 -5.531 3.967 1.00 0.00 C ATOM 771 O VAL A 54 7.150 -5.329 2.779 1.00 0.00 O ATOM 772 CB VAL A 54 9.664 -4.750 4.674 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.092 -3.930 5.820 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.098 -5.165 4.969 1.00 0.00 C ATOM 0 H VAL A 54 9.389 -6.482 2.457 1.00 0.00 H new ATOM 0 HA VAL A 54 8.704 -6.570 5.323 1.00 0.00 H new ATOM 0 HB VAL A 54 9.666 -4.127 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.724 -3.059 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.084 -3.602 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.057 -4.541 6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.702 -4.277 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.117 -5.809 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.503 -5.706 4.114 1.00 0.00 H new ATOM 784 N ASP A 55 6.506 -5.370 4.934 1.00 0.00 N ATOM 785 CA ASP A 55 5.143 -4.935 4.650 1.00 0.00 C ATOM 786 C ASP A 55 4.927 -3.494 5.101 1.00 0.00 C ATOM 787 O ASP A 55 4.978 -3.193 6.294 1.00 0.00 O ATOM 788 CB ASP A 55 4.136 -5.856 5.342 1.00 0.00 C ATOM 789 CG ASP A 55 3.899 -7.138 4.570 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.307 -7.206 3.391 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.305 -8.075 5.144 1.00 0.00 O ATOM 0 H ASP A 55 6.699 -5.534 5.922 1.00 0.00 H new ATOM 0 HA ASP A 55 4.989 -4.986 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.497 -6.099 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.190 -5.329 5.464 1.00 0.00 H new ATOM 796 N ILE A 56 4.688 -2.608 4.140 1.00 0.00 N ATOM 797 CA ILE A 56 4.465 -1.199 4.439 1.00 0.00 C ATOM 798 C ILE A 56 2.991 -0.923 4.717 1.00 0.00 C ATOM 799 O ILE A 56 2.172 -0.881 3.799 1.00 0.00 O ATOM 800 CB ILE A 56 4.935 -0.297 3.282 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.327 -0.721 2.809 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.938 1.161 3.716 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.409 -0.501 3.842 1.00 0.00 C ATOM 0 H ILE A 56 4.644 -2.841 3.148 1.00 0.00 H new ATOM 0 HA ILE A 56 5.050 -0.969 5.329 1.00 0.00 H new ATOM 0 HB ILE A 56 4.240 -0.407 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.304 -1.777 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.580 -0.166 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.272 1.786 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.930 1.455 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.614 1.287 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.369 -0.824 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.460 0.558 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.180 -1.078 4.738 1.00 0.00 H new ATOM 815 N PHE A 57 2.660 -0.734 5.991 1.00 0.00 N ATOM 816 CA PHE A 57 1.285 -0.461 6.391 1.00 0.00 C ATOM 817 C PHE A 57 1.073 1.032 6.625 1.00 0.00 C ATOM 818 O PHE A 57 1.879 1.689 7.284 1.00 0.00 O ATOM 819 CB PHE A 57 0.936 -1.242 7.659 1.00 0.00 C ATOM 820 CG PHE A 57 1.115 -2.727 7.517 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.338 -3.319 7.789 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.061 -3.530 7.112 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.506 -4.685 7.660 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.224 -4.896 6.982 1.00 0.00 C ATOM 825 CZ PHE A 57 1.448 -5.474 7.255 1.00 0.00 C ATOM 0 H PHE A 57 3.326 -0.765 6.763 1.00 0.00 H new ATOM 0 HA PHE A 57 0.627 -0.781 5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.560 -0.886 8.479 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.099 -1.033 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.169 -2.706 8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.898 -3.083 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.464 -5.135 7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.606 -5.511 6.667 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.577 -6.541 7.152 1.00 0.00 H new ATOM 835 N VAL A 58 -0.017 1.561 6.080 1.00 0.00 N ATOM 836 CA VAL A 58 -0.337 2.976 6.229 1.00 0.00 C ATOM 837 C VAL A 58 -0.809 3.287 7.645 1.00 0.00 C ATOM 838 O VAL A 58 -1.908 2.901 8.043 1.00 0.00 O ATOM 839 CB VAL A 58 -1.424 3.414 5.229 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.638 4.919 5.299 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.053 2.985 3.818 1.00 0.00 C ATOM 0 H VAL A 58 -0.694 1.031 5.531 1.00 0.00 H new ATOM 0 HA VAL A 58 0.579 3.531 6.025 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.360 2.925 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.409 5.210 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.951 5.195 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.707 5.431 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.832 3.302 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.106 3.445 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.955 1.900 3.782 1.00 0.00 H new ATOM 851 N LYS A 59 0.029 3.987 8.402 1.00 0.00 N ATOM 852 CA LYS A 59 -0.301 4.352 9.774 1.00 0.00 C ATOM 853 C LYS A 59 -0.474 5.862 9.909 1.00 0.00 C ATOM 854 O LYS A 59 -0.023 6.626 9.055 1.00 0.00 O ATOM 855 CB LYS A 59 0.790 3.865 10.730 1.00 0.00 C ATOM 856 CG LYS A 59 0.940 2.354 10.763 1.00 0.00 C ATOM 857 CD LYS A 59 0.049 1.728 11.822 1.00 0.00 C ATOM 858 CE LYS A 59 0.453 2.166 13.221 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.124 1.278 14.268 1.00 0.00 N ATOM 0 H LYS A 59 0.943 4.313 8.088 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.244 3.871 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.742 4.310 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.566 4.221 11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.690 1.941 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.980 2.095 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.988 2.007 11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.104 0.642 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.540 2.165 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.122 3.191 13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.174 1.610 15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.162 1.299 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.212 0.305 14.122 1.00 0.00 H new ATOM 873 N ASP A 60 -1.127 6.284 10.986 1.00 0.00 N ATOM 874 CA ASP A 60 -1.356 7.703 11.233 1.00 0.00 C ATOM 875 C ASP A 60 -1.971 8.375 10.010 1.00 0.00 C ATOM 876 O ASP A 60 -1.477 9.399 9.537 1.00 0.00 O ATOM 877 CB ASP A 60 -0.045 8.396 11.607 1.00 0.00 C ATOM 878 CG ASP A 60 0.222 8.365 13.099 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.554 8.988 13.853 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.207 7.718 13.513 1.00 0.00 O ATOM 0 H ASP A 60 -1.507 5.664 11.702 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.055 7.794 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.780 7.913 11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.075 9.431 11.268 1.00 0.00 H new ATOM 885 N VAL A 61 -3.051 7.792 9.500 1.00 0.00 N ATOM 886 CA VAL A 61 -3.734 8.335 8.332 1.00 0.00 C ATOM 887 C VAL A 61 -4.552 9.568 8.697 1.00 0.00 C ATOM 888 O VAL A 61 -5.713 9.460 9.090 1.00 0.00 O ATOM 889 CB VAL A 61 -4.662 7.288 7.688 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.422 7.896 6.518 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.865 6.072 7.242 1.00 0.00 C ATOM 0 H VAL A 61 -3.472 6.943 9.878 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.962 8.615 7.615 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.388 6.964 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.073 7.142 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.025 8.733 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.714 8.249 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.537 5.343 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.115 6.376 6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.371 5.624 8.104 1.00 0.00 H new ATOM 901 N GLN A 62 -3.939 10.740 8.563 1.00 0.00 N ATOM 902 CA GLN A 62 -4.611 11.994 8.879 1.00 0.00 C ATOM 903 C GLN A 62 -5.928 12.112 8.119 1.00 0.00 C ATOM 904 O GLN A 62 -5.966 12.098 6.888 1.00 0.00 O ATOM 905 CB GLN A 62 -3.707 13.181 8.543 1.00 0.00 C ATOM 906 CG GLN A 62 -2.625 13.434 9.581 1.00 0.00 C ATOM 907 CD GLN A 62 -3.092 14.343 10.701 1.00 0.00 C ATOM 908 OE1 GLN A 62 -3.786 13.908 11.620 1.00 0.00 O ATOM 909 NE2 GLN A 62 -2.713 15.613 10.630 1.00 0.00 N ATOM 0 H GLN A 62 -2.978 10.847 8.238 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.827 12.002 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.237 13.007 7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.320 14.077 8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.301 12.482 10.002 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.757 13.879 9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.138 15.931 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.997 16.271 11.355 1.00 0.00 H new ATOM 918 N PRO A 63 -7.035 12.232 8.867 1.00 0.00 N ATOM 919 CA PRO A 63 -8.375 12.355 8.284 1.00 0.00 C ATOM 920 C PRO A 63 -8.583 13.695 7.588 1.00 0.00 C ATOM 921 O PRO A 63 -9.578 13.897 6.893 1.00 0.00 O ATOM 922 CB PRO A 63 -9.301 12.233 9.497 1.00 0.00 C ATOM 923 CG PRO A 63 -8.473 12.677 10.653 1.00 0.00 C ATOM 924 CD PRO A 63 -7.064 12.256 10.339 1.00 0.00 C ATOM 0 HA PRO A 63 -8.556 11.604 7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.187 12.857 9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.647 11.208 9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.537 13.757 10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.820 12.220 11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.335 12.958 10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.833 11.278 10.761 1.00 0.00 H new ATOM 932 N GLY A 64 -7.637 14.610 7.778 1.00 0.00 N ATOM 933 CA GLY A 64 -7.735 15.919 7.161 1.00 0.00 C ATOM 934 C GLY A 64 -6.544 16.236 6.279 1.00 0.00 C ATOM 935 O GLY A 64 -6.002 17.340 6.330 1.00 0.00 O ATOM 0 H GLY A 64 -6.804 14.467 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.647 15.969 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.819 16.678 7.939 1.00 0.00 H new ATOM 939 N SER A 65 -6.134 15.265 5.470 1.00 0.00 N ATOM 940 CA SER A 65 -4.995 15.444 4.577 1.00 0.00 C ATOM 941 C SER A 65 -5.220 14.712 3.257 1.00 0.00 C ATOM 942 O SER A 65 -5.817 13.636 3.224 1.00 0.00 O ATOM 943 CB SER A 65 -3.714 14.937 5.242 1.00 0.00 C ATOM 944 OG SER A 65 -3.255 15.850 6.225 1.00 0.00 O ATOM 0 H SER A 65 -6.573 14.346 5.414 1.00 0.00 H new ATOM 0 HA SER A 65 -4.891 16.509 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.898 13.966 5.701 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.941 14.791 4.487 1.00 0.00 H new ATOM 0 HG SER A 65 -3.920 16.560 6.348 1.00 0.00 H new ATOM 950 N VAL A 66 -4.736 15.304 2.170 1.00 0.00 N ATOM 951 CA VAL A 66 -4.882 14.710 0.846 1.00 0.00 C ATOM 952 C VAL A 66 -4.830 13.188 0.919 1.00 0.00 C ATOM 953 O VAL A 66 -5.549 12.497 0.197 1.00 0.00 O ATOM 954 CB VAL A 66 -3.786 15.205 -0.115 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.407 14.833 0.409 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.005 14.638 -1.510 1.00 0.00 C ATOM 0 H VAL A 66 -4.239 16.195 2.180 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.855 15.020 0.465 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.844 16.292 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.646 15.191 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.253 15.291 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.333 13.749 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.221 14.998 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.975 13.549 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.976 14.960 -1.885 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.772 6.448 1.863 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.624 5.709 2.378 1.00 0.00 C ATOM 1067 C LEU A 73 -7.850 5.292 3.827 1.00 0.00 C ATOM 1068 O LEU A 73 -8.214 6.112 4.671 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.357 6.558 2.271 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.040 5.789 2.161 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.936 6.691 1.632 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.651 5.203 3.511 1.00 0.00 C ATOM 0 HA LEU A 73 -7.503 4.809 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.450 7.205 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.304 7.207 3.145 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.179 4.969 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.007 6.125 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.211 7.062 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.797 7.533 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.711 4.659 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.531 6.008 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.431 4.522 3.850 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.630 4.013 4.111 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.806 3.487 5.460 1.00 0.00 C ATOM 1086 C LYS A 74 -6.459 3.156 6.094 1.00 0.00 C ATOM 1087 O LYS A 74 -5.448 3.045 5.403 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.689 2.237 5.430 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.016 2.447 4.722 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.091 2.927 5.682 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.605 1.794 6.556 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.662 1.000 5.870 1.00 0.00 N ATOM 0 H LYS A 74 -7.329 3.321 3.425 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.293 4.254 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.147 1.431 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.880 1.912 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.891 3.176 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.333 1.514 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.689 3.720 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.919 3.357 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.777 1.139 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.003 2.203 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.986 0.237 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.464 1.619 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.275 0.588 4.997 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.455 2.998 7.414 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.232 2.679 8.141 1.00 0.00 C ATOM 1108 C GLU A 75 -4.904 1.193 8.029 1.00 0.00 C ATOM 1109 O GLU A 75 -5.737 0.394 7.602 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.369 3.073 9.613 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.046 3.411 10.279 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.221 3.951 11.685 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.658 5.112 11.825 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.921 3.211 12.646 1.00 0.00 O ATOM 0 H GLU A 75 -7.284 3.086 8.001 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.416 3.248 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.035 3.933 9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.841 2.255 10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.422 2.518 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.517 4.148 9.674 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.685 0.831 8.415 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.246 -0.559 8.357 1.00 0.00 C ATOM 1123 C ASN A 76 -3.373 -1.111 6.940 1.00 0.00 C ATOM 1124 O ASN A 76 -3.640 -2.297 6.747 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.066 -1.415 9.325 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.585 -1.289 10.758 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.554 -1.849 11.130 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.333 -0.550 11.569 1.00 0.00 N ATOM 0 H ASN A 76 -2.984 1.480 8.771 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.197 -0.595 8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.114 -1.119 9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.012 -2.459 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.060 -0.428 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.180 -0.104 11.217 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.178 -0.243 5.954 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.268 -0.643 4.554 1.00 0.00 C ATOM 1137 C ASP A 77 -1.907 -1.084 4.026 1.00 0.00 C ATOM 1138 O ASP A 77 -1.052 -0.254 3.718 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.809 0.510 3.706 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.324 0.526 3.650 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.939 -0.528 3.915 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -5.894 1.593 3.340 1.00 0.00 O ATOM 0 H ASP A 77 -2.957 0.742 6.098 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.954 -1.487 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.453 1.456 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.412 0.431 2.694 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.713 -2.395 3.927 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.455 -2.946 3.438 1.00 0.00 C ATOM 1149 C GLN A 78 -0.243 -2.599 1.968 1.00 0.00 C ATOM 1150 O GLN A 78 -0.803 -3.244 1.081 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.432 -4.464 3.624 1.00 0.00 C ATOM 1152 CG GLN A 78 0.968 -5.038 3.773 1.00 0.00 C ATOM 1153 CD GLN A 78 1.061 -6.478 3.308 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.505 -7.381 3.933 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.767 -6.700 2.205 1.00 0.00 N ATOM 0 H GLN A 78 -2.411 -3.095 4.179 1.00 0.00 H new ATOM 0 HA GLN A 78 0.355 -2.504 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.017 -4.722 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.919 -4.934 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.669 -4.430 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.272 -4.977 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.211 -5.921 1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.865 -7.649 1.845 1.00 0.00 H new ATOM 1164 N ILE A 79 0.568 -1.576 1.718 1.00 0.00 N ATOM 1165 CA ILE A 79 0.854 -1.144 0.356 1.00 0.00 C ATOM 1166 C ILE A 79 1.598 -2.226 -0.419 1.00 0.00 C ATOM 1167 O ILE A 79 2.800 -2.422 -0.235 1.00 0.00 O ATOM 1168 CB ILE A 79 1.689 0.150 0.339 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.909 1.294 0.989 1.00 0.00 C ATOM 1170 CG2 ILE A 79 2.078 0.510 -1.087 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.689 2.588 1.071 1.00 0.00 C ATOM 0 H ILE A 79 1.038 -1.031 2.441 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.107 -0.953 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 79 2.601 -0.015 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.006 1.466 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.611 0.995 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.668 1.427 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.668 -0.299 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.178 0.660 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.074 3.354 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.591 2.432 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.964 2.911 0.067 1.00 0.00 H new ATOM 1183 N LEU A 80 0.877 -2.926 -1.289 1.00 0.00 N ATOM 1184 CA LEU A 80 1.469 -3.988 -2.095 1.00 0.00 C ATOM 1185 C LEU A 80 2.388 -3.410 -3.166 1.00 0.00 C ATOM 1186 O LEU A 80 3.515 -3.870 -3.345 1.00 0.00 O ATOM 1187 CB LEU A 80 0.372 -4.831 -2.747 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.691 -5.396 -1.804 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.778 -6.110 -2.592 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.058 -6.338 -0.790 1.00 0.00 C ATOM 0 H LEU A 80 -0.118 -2.777 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 80 2.063 -4.623 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.127 -4.222 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.844 -5.663 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.148 -4.567 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.526 -6.506 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.251 -5.407 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.337 -6.930 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.829 -6.731 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.426 -7.163 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.683 -5.796 -0.203 1.00 0.00 H new ATOM 1202 N ALA A 81 1.898 -2.398 -3.876 1.00 0.00 N ATOM 1203 CA ALA A 81 2.676 -1.755 -4.927 1.00 0.00 C ATOM 1204 C ALA A 81 2.545 -0.237 -4.856 1.00 0.00 C ATOM 1205 O ALA A 81 1.542 0.287 -4.372 1.00 0.00 O ATOM 1206 CB ALA A 81 2.238 -2.261 -6.293 1.00 0.00 C ATOM 0 H ALA A 81 0.966 -2.006 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 81 3.725 -2.011 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.828 -1.772 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.390 -3.339 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.182 -2.035 -6.443 1.00 0.00 H new ATOM 1212 N ILE A 82 3.566 0.463 -5.340 1.00 0.00 N ATOM 1213 CA ILE A 82 3.564 1.921 -5.331 1.00 0.00 C ATOM 1214 C ILE A 82 3.965 2.479 -6.692 1.00 0.00 C ATOM 1215 O ILE A 82 5.108 2.335 -7.121 1.00 0.00 O ATOM 1216 CB ILE A 82 4.518 2.479 -4.259 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.141 1.936 -2.878 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.488 4.000 -4.262 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.145 2.280 -1.800 1.00 0.00 C ATOM 0 H ILE A 82 4.404 0.044 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 82 2.546 2.234 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 82 5.532 2.155 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.166 2.332 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.040 0.852 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.168 4.379 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.799 4.368 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.476 4.344 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.814 1.864 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.117 1.861 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.228 3.363 -1.713 1.00 0.00 H new ATOM 1231 N ASN A 83 3.015 3.119 -7.366 1.00 0.00 N ATOM 1232 CA ASN A 83 3.269 3.701 -8.679 1.00 0.00 C ATOM 1233 C ASN A 83 3.603 2.617 -9.699 1.00 0.00 C ATOM 1234 O ASN A 83 4.545 2.753 -10.480 1.00 0.00 O ATOM 1235 CB ASN A 83 4.415 4.712 -8.599 1.00 0.00 C ATOM 1236 CG ASN A 83 4.131 5.831 -7.616 1.00 0.00 C ATOM 1237 OD1 ASN A 83 3.145 6.556 -7.752 1.00 0.00 O ATOM 1238 ND2 ASN A 83 4.995 5.977 -6.619 1.00 0.00 N ATOM 0 H ASN A 83 2.062 3.248 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 83 2.363 4.213 -9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.330 4.198 -8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.591 5.136 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.855 6.713 -5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.799 5.353 -6.545 1.00 0.00 H new ATOM 1245 N HIS A 84 2.823 1.540 -9.687 1.00 0.00 N ATOM 1246 CA HIS A 84 3.035 0.433 -10.612 1.00 0.00 C ATOM 1247 C HIS A 84 4.346 -0.286 -10.308 1.00 0.00 C ATOM 1248 O HIS A 84 5.163 -0.515 -11.201 1.00 0.00 O ATOM 1249 CB HIS A 84 3.040 0.939 -12.055 1.00 0.00 C ATOM 1250 CG HIS A 84 2.617 -0.093 -13.054 1.00 0.00 C ATOM 1251 ND1 HIS A 84 1.424 -0.029 -13.743 1.00 0.00 N ATOM 1252 CD2 HIS A 84 3.236 -1.219 -13.480 1.00 0.00 C ATOM 1253 CE1 HIS A 84 1.326 -1.072 -14.548 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.413 -1.809 -14.408 1.00 0.00 N ATOM 0 H HIS A 84 2.039 1.411 -9.047 1.00 0.00 H new ATOM 0 HA HIS A 84 2.215 -0.274 -10.486 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.376 1.800 -12.131 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.042 1.286 -12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.197 -1.585 -13.152 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.498 -1.286 -15.208 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.610 -2.676 -14.908 1.00 0.00 H new ATOM 1263 N THR A 85 4.541 -0.640 -9.042 1.00 0.00 N ATOM 1264 CA THR A 85 5.753 -1.330 -8.619 1.00 0.00 C ATOM 1265 C THR A 85 5.551 -2.024 -7.277 1.00 0.00 C ATOM 1266 O THR A 85 5.489 -1.388 -6.225 1.00 0.00 O ATOM 1267 CB THR A 85 6.944 -0.359 -8.508 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.269 0.167 -9.800 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.159 -1.058 -7.919 1.00 0.00 C ATOM 0 H THR A 85 3.875 -0.460 -8.291 1.00 0.00 H new ATOM 0 HA THR A 85 5.973 -2.077 -9.382 1.00 0.00 H new ATOM 0 HB THR A 85 6.658 0.458 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.765 -0.317 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.987 -0.352 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.917 -1.431 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.445 -1.892 -8.560 1.00 0.00 H new ATOM 1277 N PRO A 86 5.447 -3.361 -7.311 1.00 0.00 N ATOM 1278 CA PRO A 86 5.251 -4.170 -6.104 1.00 0.00 C ATOM 1279 C PRO A 86 6.489 -4.192 -5.214 1.00 0.00 C ATOM 1280 O PRO A 86 7.619 -4.190 -5.704 1.00 0.00 O ATOM 1281 CB PRO A 86 4.967 -5.569 -6.658 1.00 0.00 C ATOM 1282 CG PRO A 86 5.621 -5.587 -7.996 1.00 0.00 C ATOM 1283 CD PRO A 86 5.512 -4.185 -8.529 1.00 0.00 C ATOM 0 HA PRO A 86 4.454 -3.776 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.375 -6.343 -6.008 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.896 -5.753 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.664 -5.894 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.129 -6.297 -8.661 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.371 -3.922 -9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.624 -4.058 -9.148 1.00 0.00 H new ATOM 1291 N LEU A 87 6.269 -4.212 -3.904 1.00 0.00 N ATOM 1292 CA LEU A 87 7.368 -4.234 -2.944 1.00 0.00 C ATOM 1293 C LEU A 87 7.731 -5.666 -2.566 1.00 0.00 C ATOM 1294 O LEU A 87 7.951 -5.973 -1.394 1.00 0.00 O ATOM 1295 CB LEU A 87 6.991 -3.443 -1.690 1.00 0.00 C ATOM 1296 CG LEU A 87 6.258 -2.122 -1.925 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.805 -1.521 -0.604 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.148 -1.145 -2.680 1.00 0.00 C ATOM 0 H LEU A 87 5.340 -4.213 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 87 8.236 -3.770 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.365 -4.076 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.902 -3.235 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 87 5.375 -2.322 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.285 -0.581 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.131 -2.214 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.673 -1.336 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.610 -0.210 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.050 -0.951 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.423 -1.573 -3.644 1.00 0.00 H new ATOM 1310 N ASP A 88 7.795 -6.539 -3.566 1.00 0.00 N ATOM 1311 CA ASP A 88 8.135 -7.938 -3.338 1.00 0.00 C ATOM 1312 C ASP A 88 9.566 -8.074 -2.827 1.00 0.00 C ATOM 1313 O ASP A 88 10.306 -7.092 -2.760 1.00 0.00 O ATOM 1314 CB ASP A 88 7.962 -8.743 -4.627 1.00 0.00 C ATOM 1315 CG ASP A 88 8.039 -10.239 -4.391 1.00 0.00 C ATOM 1316 OD1 ASP A 88 7.683 -10.683 -3.279 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.454 -10.965 -5.318 1.00 0.00 O ATOM 0 H ASP A 88 7.616 -6.302 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 88 7.459 -8.331 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.000 -8.498 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.732 -8.451 -5.341 1.00 0.00 H new ATOM 1322 N GLN A 89 9.948 -9.295 -2.468 1.00 0.00 N ATOM 1323 CA GLN A 89 11.290 -9.557 -1.962 1.00 0.00 C ATOM 1324 C GLN A 89 12.318 -8.676 -2.663 1.00 0.00 C ATOM 1325 O GLN A 89 13.327 -8.293 -2.072 1.00 0.00 O ATOM 1326 CB GLN A 89 11.650 -11.032 -2.152 1.00 0.00 C ATOM 1327 CG GLN A 89 11.744 -11.452 -3.610 1.00 0.00 C ATOM 1328 CD GLN A 89 12.390 -12.812 -3.785 1.00 0.00 C ATOM 1329 OE1 GLN A 89 13.614 -12.927 -3.851 1.00 0.00 O ATOM 1330 NE2 GLN A 89 11.569 -13.853 -3.862 1.00 0.00 N ATOM 0 H GLN A 89 9.348 -10.118 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 89 11.302 -9.321 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.604 -11.231 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.902 -11.647 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.744 -11.470 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.318 -10.708 -4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.560 -13.713 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.947 -14.793 -3.980 1.00 0.00 H new ATOM 1339 N ASN A 90 12.055 -8.357 -3.926 1.00 0.00 N ATOM 1340 CA ASN A 90 12.958 -7.521 -4.707 1.00 0.00 C ATOM 1341 C ASN A 90 13.215 -6.192 -4.004 1.00 0.00 C ATOM 1342 O ASN A 90 14.359 -5.841 -3.715 1.00 0.00 O ATOM 1343 CB ASN A 90 12.378 -7.270 -6.101 1.00 0.00 C ATOM 1344 CG ASN A 90 11.961 -8.553 -6.793 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.573 -9.604 -6.598 1.00 0.00 O ATOM 1346 ND2 ASN A 90 10.914 -8.473 -7.607 1.00 0.00 N ATOM 0 H ASN A 90 11.224 -8.665 -4.430 1.00 0.00 H new ATOM 0 HA ASN A 90 13.907 -8.049 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.516 -6.608 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.119 -6.755 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.587 -9.304 -8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.437 -7.581 -7.738 1.00 0.00 H new ATOM 1353 N ILE A 91 12.142 -5.457 -3.731 1.00 0.00 N ATOM 1354 CA ILE A 91 12.251 -4.167 -3.060 1.00 0.00 C ATOM 1355 C ILE A 91 12.056 -4.313 -1.555 1.00 0.00 C ATOM 1356 O ILE A 91 11.232 -5.105 -1.099 1.00 0.00 O ATOM 1357 CB ILE A 91 11.219 -3.161 -3.604 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.789 -2.417 -4.814 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.812 -2.179 -2.516 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.853 -1.371 -5.376 1.00 0.00 C ATOM 0 H ILE A 91 11.188 -5.732 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 91 13.254 -3.791 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 91 10.332 -3.709 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.726 -1.939 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.026 -3.139 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.082 -1.475 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.371 -2.723 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.691 -1.634 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.322 -0.884 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.925 -1.846 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.636 -0.627 -4.609 1.00 0.00 H new ATOM 1372 N SER A 92 12.820 -3.541 -0.788 1.00 0.00 N ATOM 1373 CA SER A 92 12.734 -3.585 0.667 1.00 0.00 C ATOM 1374 C SER A 92 11.789 -2.506 1.188 1.00 0.00 C ATOM 1375 O SER A 92 11.162 -1.786 0.411 1.00 0.00 O ATOM 1376 CB SER A 92 14.121 -3.407 1.287 1.00 0.00 C ATOM 1377 OG SER A 92 14.889 -4.592 1.168 1.00 0.00 O ATOM 0 H SER A 92 13.505 -2.878 -1.150 1.00 0.00 H new ATOM 0 HA SER A 92 12.339 -4.559 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.639 -2.583 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.021 -3.139 2.339 1.00 0.00 H new ATOM 0 HG SER A 92 15.772 -4.452 1.570 1.00 0.00 H new ATOM 1383 N HIS A 93 11.693 -2.401 2.510 1.00 0.00 N ATOM 1384 CA HIS A 93 10.826 -1.410 3.137 1.00 0.00 C ATOM 1385 C HIS A 93 11.302 0.005 2.823 1.00 0.00 C ATOM 1386 O HIS A 93 10.494 0.905 2.596 1.00 0.00 O ATOM 1387 CB HIS A 93 10.784 -1.622 4.650 1.00 0.00 C ATOM 1388 CG HIS A 93 11.860 -0.886 5.388 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.984 -1.505 5.892 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.979 0.424 5.705 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.748 -0.606 6.489 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.160 0.572 6.389 1.00 0.00 N ATOM 0 H HIS A 93 12.205 -2.990 3.167 1.00 0.00 H new ATOM 0 HA HIS A 93 9.822 -1.535 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.812 -1.302 5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.873 -2.687 4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.276 1.208 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.692 -0.802 6.976 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.524 1.450 6.760 1.00 0.00 H new ATOM 1401 N GLN A 94 12.618 0.193 2.812 1.00 0.00 N ATOM 1402 CA GLN A 94 13.200 1.499 2.527 1.00 0.00 C ATOM 1403 C GLN A 94 12.792 1.987 1.141 1.00 0.00 C ATOM 1404 O GLN A 94 12.072 2.977 1.010 1.00 0.00 O ATOM 1405 CB GLN A 94 14.725 1.434 2.629 1.00 0.00 C ATOM 1406 CG GLN A 94 15.225 0.984 3.992 1.00 0.00 C ATOM 1407 CD GLN A 94 16.739 0.961 4.080 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.416 1.845 3.555 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.278 -0.053 4.747 1.00 0.00 N ATOM 0 H GLN A 94 13.301 -0.542 2.997 1.00 0.00 H new ATOM 0 HA GLN A 94 12.823 2.206 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.103 0.750 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.138 2.418 2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.830 1.652 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.837 -0.012 4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.679 -0.764 5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.291 -0.121 4.840 1.00 0.00 H new ATOM 1418 N GLN A 95 13.256 1.286 0.112 1.00 0.00 N ATOM 1419 CA GLN A 95 12.939 1.649 -1.264 1.00 0.00 C ATOM 1420 C GLN A 95 11.485 2.094 -1.389 1.00 0.00 C ATOM 1421 O GLN A 95 11.190 3.121 -1.999 1.00 0.00 O ATOM 1422 CB GLN A 95 13.205 0.469 -2.200 1.00 0.00 C ATOM 1423 CG GLN A 95 14.632 0.416 -2.721 1.00 0.00 C ATOM 1424 CD GLN A 95 15.013 -0.956 -3.242 1.00 0.00 C ATOM 1425 OE1 GLN A 95 15.148 -1.909 -2.474 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.187 -1.063 -4.554 1.00 0.00 N ATOM 0 H GLN A 95 13.852 0.464 0.205 1.00 0.00 H new ATOM 0 HA GLN A 95 13.581 2.482 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.985 -0.459 -1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.520 0.525 -3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.751 1.149 -3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.317 0.700 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.065 -0.247 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.443 -1.962 -4.963 1.00 0.00 H new ATOM 1435 N ALA A 96 10.581 1.314 -0.806 1.00 0.00 N ATOM 1436 CA ALA A 96 9.158 1.628 -0.851 1.00 0.00 C ATOM 1437 C ALA A 96 8.902 3.073 -0.435 1.00 0.00 C ATOM 1438 O ALA A 96 8.232 3.823 -1.146 1.00 0.00 O ATOM 1439 CB ALA A 96 8.379 0.674 0.042 1.00 0.00 C ATOM 0 H ALA A 96 10.809 0.460 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 96 8.816 1.507 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.318 0.920 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.529 -0.350 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.732 0.767 1.069 1.00 0.00 H new ATOM 1445 N ILE A 97 9.438 3.456 0.718 1.00 0.00 N ATOM 1446 CA ILE A 97 9.267 4.811 1.227 1.00 0.00 C ATOM 1447 C ILE A 97 9.759 5.843 0.218 1.00 0.00 C ATOM 1448 O ILE A 97 9.091 6.845 -0.035 1.00 0.00 O ATOM 1449 CB ILE A 97 10.018 5.012 2.557 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.632 3.919 3.556 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.721 6.390 3.130 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.304 4.067 4.903 1.00 0.00 C ATOM 0 H ILE A 97 9.995 2.847 1.318 1.00 0.00 H new ATOM 0 HA ILE A 97 8.200 4.952 1.397 1.00 0.00 H new ATOM 0 HB ILE A 97 11.089 4.942 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.551 3.931 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.889 2.947 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.259 6.517 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.041 7.155 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.650 6.487 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.984 3.258 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.386 4.025 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.027 5.024 5.345 1.00 0.00 H new ATOM 1464 N ALA A 98 10.930 5.589 -0.357 1.00 0.00 N ATOM 1465 CA ALA A 98 11.509 6.494 -1.342 1.00 0.00 C ATOM 1466 C ALA A 98 10.509 6.816 -2.447 1.00 0.00 C ATOM 1467 O ALA A 98 10.135 7.973 -2.643 1.00 0.00 O ATOM 1468 CB ALA A 98 12.775 5.891 -1.932 1.00 0.00 C ATOM 0 H ALA A 98 11.496 4.764 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 98 11.764 7.426 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.197 6.577 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.501 5.719 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.536 4.944 -2.416 1.00 0.00 H new ATOM 1474 N LEU A 99 10.080 5.786 -3.168 1.00 0.00 N ATOM 1475 CA LEU A 99 9.123 5.959 -4.255 1.00 0.00 C ATOM 1476 C LEU A 99 8.113 7.052 -3.923 1.00 0.00 C ATOM 1477 O LEU A 99 7.778 7.882 -4.770 1.00 0.00 O ATOM 1478 CB LEU A 99 8.394 4.643 -4.533 1.00 0.00 C ATOM 1479 CG LEU A 99 9.281 3.416 -4.747 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.431 2.170 -4.945 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.205 3.627 -5.937 1.00 0.00 C ATOM 0 H LEU A 99 10.380 4.822 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 99 9.674 6.258 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.722 4.440 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.772 4.775 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 99 9.894 3.275 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.080 1.307 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.811 2.008 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.792 2.300 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.829 2.744 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.610 3.794 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.839 4.495 -5.756 1.00 0.00 H new ATOM 1493 N LEU A 100 7.632 7.050 -2.685 1.00 0.00 N ATOM 1494 CA LEU A 100 6.662 8.044 -2.239 1.00 0.00 C ATOM 1495 C LEU A 100 7.300 9.426 -2.148 1.00 0.00 C ATOM 1496 O LEU A 100 6.738 10.412 -2.623 1.00 0.00 O ATOM 1497 CB LEU A 100 6.083 7.646 -0.880 1.00 0.00 C ATOM 1498 CG LEU A 100 5.606 6.200 -0.750 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.525 5.793 0.713 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.257 6.020 -1.431 1.00 0.00 C ATOM 0 H LEU A 100 7.898 6.371 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 100 5.857 8.084 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.841 7.827 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.244 8.305 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 100 6.330 5.553 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.184 4.760 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.510 5.882 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.823 6.444 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.933 4.984 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.523 6.678 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.347 6.269 -2.488 1.00 0.00 H new ATOM 1512 N GLN A 101 8.479 9.489 -1.537 1.00 0.00 N ATOM 1513 CA GLN A 101 9.194 10.750 -1.385 1.00 0.00 C ATOM 1514 C GLN A 101 9.826 11.179 -2.705 1.00 0.00 C ATOM 1515 O GLN A 101 10.317 12.300 -2.833 1.00 0.00 O ATOM 1516 CB GLN A 101 10.272 10.623 -0.308 1.00 0.00 C ATOM 1517 CG GLN A 101 9.724 10.251 1.060 1.00 0.00 C ATOM 1518 CD GLN A 101 10.599 10.747 2.195 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.910 11.935 2.280 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.001 9.837 3.074 1.00 0.00 N ATOM 0 H GLN A 101 8.959 8.681 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 101 8.476 11.512 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.996 9.869 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.809 11.568 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.722 10.666 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.629 9.167 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.719 8.863 2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.592 10.112 3.859 1.00 0.00 H new ATOM 1529 N GLN A 102 9.811 10.279 -3.683 1.00 0.00 N ATOM 1530 CA GLN A 102 10.384 10.565 -4.993 1.00 0.00 C ATOM 1531 C GLN A 102 9.346 10.376 -6.095 1.00 0.00 C ATOM 1532 O GLN A 102 9.650 9.847 -7.165 1.00 0.00 O ATOM 1533 CB GLN A 102 11.592 9.663 -5.253 1.00 0.00 C ATOM 1534 CG GLN A 102 11.225 8.204 -5.472 1.00 0.00 C ATOM 1535 CD GLN A 102 12.184 7.495 -6.407 1.00 0.00 C ATOM 1536 OE1 GLN A 102 11.801 7.052 -7.490 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.441 7.383 -5.993 1.00 0.00 N ATOM 0 H GLN A 102 9.409 9.346 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 102 10.709 11.606 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.127 10.030 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.277 9.734 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.212 7.689 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.216 8.144 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.716 7.765 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.132 6.915 -6.580 1.00 0.00 H new ATOM 1546 N THR A 103 8.119 10.810 -5.826 1.00 0.00 N ATOM 1547 CA THR A 103 7.036 10.687 -6.793 1.00 0.00 C ATOM 1548 C THR A 103 6.123 11.907 -6.754 1.00 0.00 C ATOM 1549 O THR A 103 5.325 12.070 -5.829 1.00 0.00 O ATOM 1550 CB THR A 103 6.195 9.422 -6.536 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.886 8.267 -7.025 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.836 9.530 -7.211 1.00 0.00 C ATOM 0 H THR A 103 7.850 11.250 -4.946 1.00 0.00 H new ATOM 0 HA THR A 103 7.498 10.614 -7.778 1.00 0.00 H new ATOM 0 HB THR A 103 6.042 9.325 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.171 7.712 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.260 8.626 -7.016 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.301 10.393 -6.816 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.972 9.649 -8.286 1.00 0.00 H new ATOM 1560 N THR A 104 6.243 12.763 -7.764 1.00 0.00 N ATOM 1561 CA THR A 104 5.429 13.969 -7.844 1.00 0.00 C ATOM 1562 C THR A 104 4.153 13.719 -8.640 1.00 0.00 C ATOM 1563 O THR A 104 4.159 12.984 -9.627 1.00 0.00 O ATOM 1564 CB THR A 104 6.206 15.129 -8.494 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.594 15.043 -8.150 1.00 0.00 O ATOM 1566 CG2 THR A 104 5.650 16.472 -8.046 1.00 0.00 C ATOM 0 H THR A 104 6.896 12.643 -8.538 1.00 0.00 H new ATOM 0 HA THR A 104 5.169 14.243 -6.822 1.00 0.00 H new ATOM 0 HB THR A 104 6.094 15.050 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.081 15.783 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.215 17.276 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.602 16.547 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.734 16.558 -6.963 1.00 0.00 H new ATOM 1574 N GLY A 105 3.059 14.336 -8.204 1.00 0.00 N ATOM 1575 CA GLY A 105 1.790 14.167 -8.888 1.00 0.00 C ATOM 1576 C GLY A 105 1.034 12.942 -8.414 1.00 0.00 C ATOM 1577 O GLY A 105 1.456 12.268 -7.474 1.00 0.00 O ATOM 0 H GLY A 105 3.029 14.950 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.175 15.053 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.967 14.088 -9.961 1.00 0.00 H new ATOM 1581 N SER A 106 -0.088 12.652 -9.065 1.00 0.00 N ATOM 1582 CA SER A 106 -0.908 11.502 -8.701 1.00 0.00 C ATOM 1583 C SER A 106 -0.039 10.352 -8.202 1.00 0.00 C ATOM 1584 O SER A 106 0.855 9.882 -8.907 1.00 0.00 O ATOM 1585 CB SER A 106 -1.742 11.044 -9.899 1.00 0.00 C ATOM 1586 OG SER A 106 -0.917 10.766 -11.018 1.00 0.00 O ATOM 0 H SER A 106 -0.450 13.197 -9.847 1.00 0.00 H new ATOM 0 HA SER A 106 -1.578 11.804 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.310 10.153 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.465 11.817 -10.159 1.00 0.00 H new ATOM 0 HG SER A 106 -0.023 10.510 -10.710 1.00 0.00 H new ATOM 1592 N LEU A 107 -0.308 9.903 -6.981 1.00 0.00 N ATOM 1593 CA LEU A 107 0.448 8.807 -6.385 1.00 0.00 C ATOM 1594 C LEU A 107 -0.425 7.566 -6.226 1.00 0.00 C ATOM 1595 O LEU A 107 -1.253 7.489 -5.318 1.00 0.00 O ATOM 1596 CB LEU A 107 1.008 9.228 -5.025 1.00 0.00 C ATOM 1597 CG LEU A 107 1.778 8.154 -4.255 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.084 7.825 -4.960 1.00 0.00 C ATOM 1599 CD2 LEU A 107 2.041 8.608 -2.826 1.00 0.00 C ATOM 0 H LEU A 107 -1.044 10.281 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 107 1.275 8.564 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.668 10.083 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.180 9.569 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 107 1.169 7.251 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.618 7.059 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.873 7.457 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.699 8.723 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.590 7.832 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.630 9.525 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.092 8.793 -2.322 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.232 6.596 -7.114 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.001 5.358 -7.072 1.00 0.00 C ATOM 1613 C ARG A 108 -0.434 4.401 -6.027 1.00 0.00 C ATOM 1614 O ARG A 108 0.760 4.098 -6.030 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.003 4.686 -8.446 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.107 3.655 -8.619 1.00 0.00 C ATOM 1617 CD ARG A 108 -1.684 2.540 -9.562 1.00 0.00 C ATOM 1618 NE ARG A 108 -1.787 2.940 -10.963 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.940 3.049 -11.613 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -4.082 2.790 -10.992 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.952 3.418 -12.888 1.00 0.00 N ATOM 0 H ARG A 108 0.450 6.644 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.026 5.606 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.109 5.451 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.039 4.204 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.368 3.233 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.003 4.141 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.657 2.250 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.307 1.663 -9.389 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.926 3.147 -11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.077 2.506 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.966 2.875 -11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.075 3.618 -13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.838 3.501 -13.386 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.297 3.928 -5.135 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.883 3.006 -4.083 1.00 0.00 C ATOM 1637 C LEU A 109 -1.837 1.819 -3.993 1.00 0.00 C ATOM 1638 O LEU A 109 -2.990 1.967 -3.586 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.822 3.730 -2.737 1.00 0.00 C ATOM 1640 CG LEU A 109 0.061 4.977 -2.685 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.065 5.665 -1.335 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.512 4.616 -2.968 1.00 0.00 C ATOM 0 H LEU A 109 -2.288 4.168 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 109 0.110 2.632 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.835 4.015 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.467 3.026 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.277 5.670 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.571 6.550 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.102 5.959 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.246 4.979 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.126 5.516 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.862 3.904 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.589 4.169 -3.959 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.348 0.643 -4.372 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.156 -0.569 -4.330 1.00 0.00 C ATOM 1656 C ILE A 110 -2.090 -1.227 -2.957 1.00 0.00 C ATOM 1657 O ILE A 110 -1.126 -1.921 -2.635 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.704 -1.584 -5.396 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -1.905 -1.008 -6.799 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.466 -2.891 -5.240 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.367 -1.896 -7.900 1.00 0.00 C ATOM 0 H ILE A 110 -0.396 0.504 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.184 -0.270 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.642 -1.786 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.969 -0.841 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.417 -0.035 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.135 -3.598 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.276 -3.307 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.534 -2.706 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.544 -1.425 -8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.296 -2.043 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.873 -2.861 -7.869 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.123 -1.005 -2.149 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.184 -1.578 -0.810 1.00 0.00 C ATOM 1675 C VAL A 111 -4.177 -2.734 -0.752 1.00 0.00 C ATOM 1676 O VAL A 111 -5.077 -2.834 -1.585 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.581 -0.520 0.236 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.548 0.594 0.288 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -4.963 0.037 -0.070 1.00 0.00 C ATOM 0 H VAL A 111 -3.929 -0.432 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.186 -1.949 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.614 -0.997 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.846 1.332 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.577 0.178 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.479 1.072 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.228 0.783 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.959 0.499 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.694 -0.772 -0.051 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.007 -3.604 0.238 1.00 0.00 N ATOM 1690 CA ALA A 112 -4.890 -4.751 0.407 1.00 0.00 C ATOM 1691 C ALA A 112 -5.885 -4.516 1.538 1.00 0.00 C ATOM 1692 O ALA A 112 -5.683 -3.644 2.384 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.076 -6.009 0.671 1.00 0.00 C ATOM 0 H ALA A 112 -3.266 -3.536 0.935 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.454 -4.883 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.748 -6.858 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.409 -6.194 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.486 -5.877 1.578 1.00 0.00 H new ATOM 1699 N ARG A 113 -6.959 -5.298 1.547 1.00 0.00 N ATOM 1700 CA ARG A 113 -7.987 -5.173 2.574 1.00 0.00 C ATOM 1701 C ARG A 113 -8.373 -6.542 3.126 1.00 0.00 C ATOM 1702 O ARG A 113 -8.174 -7.564 2.470 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.223 -4.473 2.006 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.895 -3.303 1.094 1.00 0.00 C ATOM 1705 CD ARG A 113 -8.801 -1.999 1.872 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.052 -0.837 1.024 1.00 0.00 N ATOM 1707 CZ ARG A 113 -8.881 0.417 1.428 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -8.462 0.670 2.660 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.130 1.422 0.598 1.00 0.00 N ATOM 0 H ARG A 113 -7.140 -6.025 0.855 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.581 -4.573 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.819 -5.199 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.840 -4.118 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.951 -3.492 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.662 -3.214 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.520 -2.013 2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.811 -1.914 2.319 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.376 -0.997 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.270 -0.099 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.332 1.634 2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.453 1.232 -0.351 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.999 2.385 0.909 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.926 -6.553 4.335 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.338 -7.796 4.974 1.00 0.00 C ATOM 1725 C GLU A 114 -10.852 -7.835 5.163 1.00 0.00 C ATOM 1726 O GLU A 114 -11.463 -6.897 5.674 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.640 -7.956 6.327 1.00 0.00 C ATOM 1728 CG GLU A 114 -8.943 -9.276 7.016 1.00 0.00 C ATOM 1729 CD GLU A 114 -7.940 -10.359 6.667 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -6.811 -10.314 7.200 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -8.283 -11.250 5.863 1.00 0.00 O ATOM 0 H GLU A 114 -9.099 -5.715 4.891 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.049 -8.622 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.563 -7.870 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.941 -7.137 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.949 -9.125 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.943 -9.607 6.735 1.00 0.00 H new