USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 92 CYS SG : rot -137:sc= -8.27! USER MOD Set 1.2: A 93 GLN : amide:sc= -7.8! C(o=-16!,f=-20!) USER MOD Set 2.1: A 46 CYS SG : rot -103:sc= -0.783! USER MOD Set 2.2: A 52 CYS SG : rot -114:sc= 1.12! USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= -0.0611 USER MOD Set 3.2: A 36 ASN : amide:sc= -0.582 X(o=-0.64,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 20 THR OG1 : rot -60:sc= 0.104 USER MOD Single : A 28 SER OG : rot -137:sc= 0.292 USER MOD Single : A 35 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.7!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -52:sc= 0.662 USER MOD Single : A 53 SER OG : rot -63:sc= 1.24 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 55 CYS SG : rot 59:sc= -2.82 USER MOD Single : A 61 GLN : amide:sc= -5.52! C(o=-5.5!,f=-3.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 75 ASN : amide:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 77 MET CE :methyl -158:sc= -5.57! (180deg=-9.68!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 118:sc= -1.77 USER MOD Single : A 88 SER OG : rot 170:sc= -0.797 USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 111:sc= -1.25 USER MOD Single : A 100 MET CE :methyl 143:sc= -7.96! (180deg=-12.1!) USER MOD Single : A 102 ASN : amide:sc= -7.35! C(o=-7.4!,f=-11!) USER MOD Single : A 103 MET CE :methyl 131:sc= -5.35! (180deg=-6.88!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 8.886 17.092 -4.546 1.00 0.00 N ATOM 51 CA ASP A 5 8.180 15.975 -5.152 1.00 0.00 C ATOM 52 C ASP A 5 7.856 14.938 -4.074 1.00 0.00 C ATOM 53 O ASP A 5 8.753 14.278 -3.553 1.00 0.00 O ATOM 54 CB ASP A 5 9.040 15.294 -6.219 1.00 0.00 C ATOM 55 CG ASP A 5 8.257 14.652 -7.366 1.00 0.00 C ATOM 56 OD1 ASP A 5 7.166 15.113 -7.732 1.00 0.00 O ATOM 57 OD2 ASP A 5 8.818 13.620 -7.898 1.00 0.00 O ATOM 0 HA ASP A 5 7.271 16.360 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.727 16.031 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.648 14.527 -5.739 1.00 0.00 H new ATOM 63 N LYS A 6 6.571 14.827 -3.774 1.00 0.00 N ATOM 64 CA LYS A 6 6.117 13.881 -2.767 1.00 0.00 C ATOM 65 C LYS A 6 4.591 13.942 -2.668 1.00 0.00 C ATOM 66 O LYS A 6 4.010 15.027 -2.641 1.00 0.00 O ATOM 67 CB LYS A 6 6.830 14.130 -1.437 1.00 0.00 C ATOM 68 CG LYS A 6 6.580 15.555 -0.940 1.00 0.00 C ATOM 69 CD LYS A 6 7.640 15.974 0.081 1.00 0.00 C ATOM 70 CE LYS A 6 7.587 17.481 0.340 1.00 0.00 C ATOM 0 H LYS A 6 5.829 15.376 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 6 6.378 12.863 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.480 13.415 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.901 13.966 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.590 16.245 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.590 15.618 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.483 15.435 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.630 15.699 -0.283 1.00 0.00 H new ATOM 84 N ILE A 7 3.986 12.766 -2.617 1.00 0.00 N ATOM 85 CA ILE A 7 2.539 12.671 -2.522 1.00 0.00 C ATOM 86 C ILE A 7 2.150 12.292 -1.091 1.00 0.00 C ATOM 87 O ILE A 7 3.016 12.088 -0.242 1.00 0.00 O ATOM 88 CB ILE A 7 1.993 11.713 -3.582 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.091 10.260 -3.112 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.689 11.929 -4.927 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.296 9.331 -4.032 1.00 0.00 C ATOM 0 H ILE A 7 4.471 11.869 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 7 2.080 13.637 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 7 0.935 11.933 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.136 9.950 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.714 10.178 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.282 11.235 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.523 12.953 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.759 11.753 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.382 8.305 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.247 9.628 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.691 9.397 -5.046 1.00 0.00 H new ATOM 103 N THR A 8 0.846 12.208 -0.869 1.00 0.00 N ATOM 104 CA THR A 8 0.333 11.855 0.444 1.00 0.00 C ATOM 105 C THR A 8 -0.342 10.483 0.403 1.00 0.00 C ATOM 106 O THR A 8 -1.142 10.208 -0.490 1.00 0.00 O ATOM 107 CB THR A 8 -0.601 12.978 0.903 1.00 0.00 C ATOM 108 OG1 THR A 8 0.175 14.162 0.743 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.890 12.922 2.404 1.00 0.00 C ATOM 0 H THR A 8 0.130 12.378 -1.576 1.00 0.00 H new ATOM 0 HA THR A 8 1.139 11.763 1.172 1.00 0.00 H new ATOM 0 HB THR A 8 -1.539 12.919 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.355 14.940 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.557 13.740 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.363 11.971 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.044 13.015 2.958 1.00 0.00 H new ATOM 117 N VAL A 9 0.007 9.658 1.379 1.00 0.00 N ATOM 118 CA VAL A 9 -0.554 8.321 1.465 1.00 0.00 C ATOM 119 C VAL A 9 -1.137 8.106 2.863 1.00 0.00 C ATOM 120 O VAL A 9 -0.516 8.471 3.861 1.00 0.00 O ATOM 121 CB VAL A 9 0.506 7.283 1.093 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.090 5.874 1.069 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.160 7.624 -0.247 1.00 0.00 C ATOM 0 H VAL A 9 0.672 9.890 2.117 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.369 8.203 0.751 1.00 0.00 H new ATOM 0 HB VAL A 9 1.280 7.306 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.685 5.156 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.487 5.630 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.893 5.831 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.910 6.870 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.400 7.643 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.637 8.602 -0.181 1.00 0.00 H new ATOM 133 N HIS A 10 -2.322 7.515 2.892 1.00 0.00 N ATOM 134 CA HIS A 10 -2.995 7.248 4.152 1.00 0.00 C ATOM 135 C HIS A 10 -3.017 5.741 4.411 1.00 0.00 C ATOM 136 O HIS A 10 -3.246 4.953 3.495 1.00 0.00 O ATOM 137 CB HIS A 10 -4.392 7.871 4.165 1.00 0.00 C ATOM 138 CG HIS A 10 -4.404 9.355 3.882 1.00 0.00 C ATOM 139 ND1 HIS A 10 -3.429 10.217 4.351 1.00 0.00 N ATOM 140 CD2 HIS A 10 -5.283 10.119 3.172 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.718 11.442 3.938 1.00 0.00 C ATOM 0 H HIS A 10 -2.834 7.213 2.063 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.445 7.715 4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.011 7.365 3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.849 7.693 5.138 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -2.624 9.954 4.919 1.00 0.00 H new ATOM 150 N PHE A 11 -2.775 5.385 5.665 1.00 0.00 N ATOM 151 CA PHE A 11 -2.765 3.986 6.057 1.00 0.00 C ATOM 152 C PHE A 11 -3.652 3.752 7.282 1.00 0.00 C ATOM 153 O PHE A 11 -3.437 4.357 8.332 1.00 0.00 O ATOM 154 CB PHE A 11 -1.319 3.633 6.415 1.00 0.00 C ATOM 155 CG PHE A 11 -0.376 3.581 5.212 1.00 0.00 C ATOM 156 CD1 PHE A 11 0.029 4.733 4.613 1.00 0.00 C ATOM 157 CD2 PHE A 11 0.059 2.380 4.740 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.904 4.683 3.497 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.934 2.332 3.623 1.00 0.00 C ATOM 160 CZ PHE A 11 1.338 3.484 3.025 1.00 0.00 C ATOM 0 H PHE A 11 -2.584 6.041 6.422 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.146 3.369 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.942 4.367 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.305 2.665 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.315 5.686 4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.261 1.465 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.226 5.598 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.279 1.380 3.248 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.004 3.447 2.175 1.00 0.00 H new ATOM 170 N ILE A 12 -4.629 2.876 7.106 1.00 0.00 N ATOM 171 CA ILE A 12 -5.549 2.555 8.184 1.00 0.00 C ATOM 172 C ILE A 12 -5.020 1.347 8.959 1.00 0.00 C ATOM 173 O ILE A 12 -5.079 0.218 8.474 1.00 0.00 O ATOM 174 CB ILE A 12 -6.966 2.363 7.639 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.309 3.443 6.611 1.00 0.00 C ATOM 176 CG2 ILE A 12 -7.988 2.308 8.776 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.454 2.990 5.702 1.00 0.00 C ATOM 0 H ILE A 12 -4.804 2.378 6.233 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.612 3.383 8.890 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.007 1.404 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.589 4.363 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.429 3.669 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.987 2.171 8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.752 1.474 9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.954 3.240 9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.678 3.776 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.161 2.084 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.339 2.788 6.305 1.00 0.00 H new ATOM 189 N ASN A 13 -4.513 1.625 10.151 1.00 0.00 N ATOM 190 CA ASN A 13 -3.973 0.574 10.998 1.00 0.00 C ATOM 191 C ASN A 13 -5.068 -0.455 11.287 1.00 0.00 C ATOM 192 O ASN A 13 -6.249 -0.116 11.328 1.00 0.00 O ATOM 193 CB ASN A 13 -3.489 1.139 12.335 1.00 0.00 C ATOM 194 CG ASN A 13 -2.136 0.543 12.725 1.00 0.00 C ATOM 195 OD1 ASN A 13 -1.887 -0.643 12.586 1.00 0.00 O ATOM 196 ND2 ASN A 13 -1.277 1.430 13.219 1.00 0.00 N ATOM 0 H ASN A 13 -4.465 2.562 10.551 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.133 0.117 10.475 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.406 2.224 12.267 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.223 0.923 13.112 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.346 1.132 13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.550 2.409 13.309 1.00 0.00 H new ATOM 203 N ARG A 14 -4.636 -1.693 11.481 1.00 0.00 N ATOM 204 CA ARG A 14 -5.564 -2.773 11.765 1.00 0.00 C ATOM 205 C ARG A 14 -6.425 -2.428 12.981 1.00 0.00 C ATOM 206 O ARG A 14 -7.516 -2.971 13.149 1.00 0.00 O ATOM 207 CB ARG A 14 -4.820 -4.084 12.031 1.00 0.00 C ATOM 208 CG ARG A 14 -3.836 -3.929 13.193 1.00 0.00 C ATOM 209 CD ARG A 14 -2.849 -5.097 13.234 1.00 0.00 C ATOM 210 NE ARG A 14 -1.860 -4.963 12.142 1.00 0.00 N ATOM 211 CZ ARG A 14 -1.099 -5.979 11.681 1.00 0.00 C ATOM 212 NH1 ARG A 14 -1.208 -7.214 12.215 1.00 0.00 N ATOM 213 NH2 ARG A 14 -0.247 -5.746 10.699 1.00 0.00 N ATOM 0 H ARG A 14 -3.655 -1.971 11.447 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.201 -2.901 10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.536 -4.873 12.259 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.283 -4.390 11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.291 -2.991 13.090 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.384 -3.878 14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.339 -5.119 14.197 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.386 -6.041 13.136 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.746 -4.046 11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.869 -7.385 12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.629 -7.976 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.171 -4.810 10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.335 -6.502 10.339 1.00 0.00 H new ATOM 226 N ASP A 15 -5.901 -1.527 13.801 1.00 0.00 N ATOM 227 CA ASP A 15 -6.608 -1.104 14.997 1.00 0.00 C ATOM 228 C ASP A 15 -7.872 -0.342 14.593 1.00 0.00 C ATOM 229 O ASP A 15 -8.900 -0.441 15.263 1.00 0.00 O ATOM 230 CB ASP A 15 -5.743 -0.168 15.845 1.00 0.00 C ATOM 231 CG ASP A 15 -5.232 -0.771 17.155 1.00 0.00 C ATOM 232 OD1 ASP A 15 -4.219 -1.485 17.178 1.00 0.00 O ATOM 233 OD2 ASP A 15 -5.931 -0.476 18.199 1.00 0.00 O ATOM 0 H ASP A 15 -4.996 -1.079 13.660 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.854 -1.994 15.577 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.887 0.150 15.250 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.321 0.727 16.075 1.00 0.00 H new ATOM 239 N GLY A 16 -7.755 0.401 13.503 1.00 0.00 N ATOM 240 CA GLY A 16 -8.877 1.178 13.004 1.00 0.00 C ATOM 241 C GLY A 16 -8.468 2.632 12.757 1.00 0.00 C ATOM 242 O GLY A 16 -9.182 3.376 12.086 1.00 0.00 O ATOM 0 H GLY A 16 -6.901 0.482 12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.246 0.738 12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.696 1.144 13.722 1.00 0.00 H new ATOM 246 N GLU A 17 -7.321 2.994 13.313 1.00 0.00 N ATOM 247 CA GLU A 17 -6.810 4.346 13.161 1.00 0.00 C ATOM 248 C GLU A 17 -6.317 4.570 11.730 1.00 0.00 C ATOM 249 O GLU A 17 -6.131 3.614 10.978 1.00 0.00 O ATOM 250 CB GLU A 17 -5.699 4.629 14.175 1.00 0.00 C ATOM 251 CG GLU A 17 -4.450 3.803 13.862 1.00 0.00 C ATOM 252 CD GLU A 17 -3.415 3.928 14.984 1.00 0.00 C ATOM 253 OE1 GLU A 17 -2.488 4.744 14.883 1.00 0.00 O ATOM 254 OE2 GLU A 17 -3.603 3.140 15.987 1.00 0.00 O ATOM 0 H GLU A 17 -6.731 2.375 13.869 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.623 5.045 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.451 5.690 14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.051 4.397 15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.725 2.756 13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.014 4.138 12.921 1.00 0.00 H new ATOM 262 N THR A 18 -6.118 5.836 11.398 1.00 0.00 N ATOM 263 CA THR A 18 -5.650 6.197 10.071 1.00 0.00 C ATOM 264 C THR A 18 -4.342 6.987 10.163 1.00 0.00 C ATOM 265 O THR A 18 -4.285 8.027 10.817 1.00 0.00 O ATOM 266 CB THR A 18 -6.772 6.962 9.365 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.670 5.942 8.936 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.305 7.618 8.064 1.00 0.00 C ATOM 0 H THR A 18 -6.272 6.625 12.025 1.00 0.00 H new ATOM 0 HA THR A 18 -5.418 5.311 9.480 1.00 0.00 H new ATOM 0 HB THR A 18 -7.168 7.725 10.035 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.429 6.350 8.469 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.139 8.147 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.502 8.323 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.940 6.851 7.380 1.00 0.00 H new ATOM 276 N LEU A 19 -3.324 6.461 9.497 1.00 0.00 N ATOM 277 CA LEU A 19 -2.020 7.103 9.496 1.00 0.00 C ATOM 278 C LEU A 19 -1.881 7.964 8.239 1.00 0.00 C ATOM 279 O LEU A 19 -2.394 7.607 7.179 1.00 0.00 O ATOM 280 CB LEU A 19 -0.910 6.063 9.655 1.00 0.00 C ATOM 281 CG LEU A 19 -0.849 5.348 11.006 1.00 0.00 C ATOM 282 CD1 LEU A 19 -1.639 6.114 12.069 1.00 0.00 C ATOM 283 CD2 LEU A 19 -1.318 3.896 10.880 1.00 0.00 C ATOM 0 H LEU A 19 -3.376 5.598 8.955 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.924 7.771 10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.029 5.312 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.048 6.554 9.483 1.00 0.00 H new ATOM 0 HG LEU A 19 0.191 5.324 11.332 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.579 5.584 13.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.220 7.114 12.184 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.682 6.191 11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.265 3.411 11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.347 3.876 10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.677 3.366 10.175 1.00 0.00 H new ATOM 295 N THR A 20 -1.186 9.080 8.397 1.00 0.00 N ATOM 296 CA THR A 20 -0.974 9.994 7.288 1.00 0.00 C ATOM 297 C THR A 20 0.515 10.085 6.950 1.00 0.00 C ATOM 298 O THR A 20 1.309 10.577 7.750 1.00 0.00 O ATOM 299 CB THR A 20 -1.595 11.341 7.660 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.998 11.119 7.550 1.00 0.00 O ATOM 301 CG2 THR A 20 -1.306 12.427 6.621 1.00 0.00 C ATOM 0 H THR A 20 -0.762 9.372 9.277 1.00 0.00 H new ATOM 0 HA THR A 20 -1.460 9.635 6.381 1.00 0.00 H new ATOM 0 HB THR A 20 -1.216 11.659 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.216 10.849 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.770 13.363 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.229 12.568 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.714 12.125 5.656 1.00 0.00 H new ATOM 309 N THR A 21 0.849 9.601 5.762 1.00 0.00 N ATOM 310 CA THR A 21 2.230 9.622 5.308 1.00 0.00 C ATOM 311 C THR A 21 2.321 10.234 3.909 1.00 0.00 C ATOM 312 O THR A 21 1.301 10.495 3.272 1.00 0.00 O ATOM 313 CB THR A 21 2.774 8.194 5.382 1.00 0.00 C ATOM 314 OG1 THR A 21 4.184 8.351 5.258 1.00 0.00 O ATOM 315 CG2 THR A 21 2.384 7.355 4.163 1.00 0.00 C ATOM 0 H THR A 21 0.188 9.193 5.101 1.00 0.00 H new ATOM 0 HA THR A 21 2.847 10.254 5.947 1.00 0.00 H new ATOM 0 HB THR A 21 2.405 7.713 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.616 7.472 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.795 6.351 4.266 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.298 7.297 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.781 7.819 3.260 1.00 0.00 H new ATOM 323 N LYS A 22 3.554 10.446 3.469 1.00 0.00 N ATOM 324 CA LYS A 22 3.792 11.023 2.158 1.00 0.00 C ATOM 325 C LYS A 22 4.816 10.169 1.408 1.00 0.00 C ATOM 326 O LYS A 22 5.848 9.799 1.965 1.00 0.00 O ATOM 327 CB LYS A 22 4.194 12.495 2.284 1.00 0.00 C ATOM 328 CG LYS A 22 5.601 12.630 2.868 1.00 0.00 C ATOM 329 CD LYS A 22 6.001 14.101 3.001 1.00 0.00 C ATOM 330 CE LYS A 22 5.134 14.812 4.042 1.00 0.00 C ATOM 0 H LYS A 22 4.398 10.228 3.998 1.00 0.00 H new ATOM 0 HA LYS A 22 2.876 11.016 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.156 12.971 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.480 13.018 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.641 12.149 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.315 12.112 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.051 14.172 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.899 14.598 2.036 1.00 0.00 H new ATOM 344 N GLY A 23 4.493 9.879 0.155 1.00 0.00 N ATOM 345 CA GLY A 23 5.372 9.075 -0.677 1.00 0.00 C ATOM 346 C GLY A 23 6.224 9.959 -1.589 1.00 0.00 C ATOM 347 O GLY A 23 6.616 11.059 -1.203 1.00 0.00 O ATOM 0 H GLY A 23 3.635 10.187 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.020 8.467 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.779 8.388 -1.281 1.00 0.00 H new ATOM 351 N LYS A 24 6.487 9.445 -2.782 1.00 0.00 N ATOM 352 CA LYS A 24 7.285 10.174 -3.752 1.00 0.00 C ATOM 353 C LYS A 24 7.342 9.380 -5.059 1.00 0.00 C ATOM 354 O LYS A 24 8.349 8.740 -5.356 1.00 0.00 O ATOM 355 CB LYS A 24 8.662 10.505 -3.172 1.00 0.00 C ATOM 356 CG LYS A 24 9.469 9.230 -2.916 1.00 0.00 C ATOM 357 CD LYS A 24 10.835 9.299 -3.601 1.00 0.00 C ATOM 358 CE LYS A 24 11.913 9.782 -2.629 1.00 0.00 C ATOM 0 H LYS A 24 6.161 8.532 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 24 6.823 11.134 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.205 11.151 -3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.545 11.059 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.603 9.089 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.917 8.366 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.102 8.315 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.783 9.973 -4.456 1.00 0.00 H new ATOM 372 N ILE A 25 6.249 9.449 -5.803 1.00 0.00 N ATOM 373 CA ILE A 25 6.161 8.744 -7.071 1.00 0.00 C ATOM 374 C ILE A 25 7.556 8.263 -7.480 1.00 0.00 C ATOM 375 O ILE A 25 8.304 8.995 -8.127 1.00 0.00 O ATOM 376 CB ILE A 25 5.480 9.619 -8.125 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.808 9.133 -9.538 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.839 11.094 -7.928 1.00 0.00 C ATOM 379 CD1 ILE A 25 4.553 9.101 -10.413 1.00 0.00 C ATOM 0 H ILE A 25 5.416 9.982 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 25 5.533 7.858 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 25 4.401 9.530 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.553 9.789 -9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.248 8.137 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.342 11.694 -8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.513 11.419 -6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.918 11.220 -8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.815 8.752 -11.412 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.820 8.425 -9.973 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.129 10.103 -10.478 1.00 0.00 H new ATOM 391 N GLY A 26 7.863 7.037 -7.084 1.00 0.00 N ATOM 392 CA GLY A 26 9.154 6.451 -7.400 1.00 0.00 C ATOM 393 C GLY A 26 9.674 5.606 -6.235 1.00 0.00 C ATOM 394 O GLY A 26 10.514 4.729 -6.426 1.00 0.00 O ATOM 0 H GLY A 26 7.240 6.433 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.067 5.831 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.870 7.241 -7.629 1.00 0.00 H new ATOM 398 N ASP A 27 9.151 5.900 -5.054 1.00 0.00 N ATOM 399 CA ASP A 27 9.551 5.179 -3.858 1.00 0.00 C ATOM 400 C ASP A 27 8.547 4.057 -3.584 1.00 0.00 C ATOM 401 O ASP A 27 7.375 4.167 -3.941 1.00 0.00 O ATOM 402 CB ASP A 27 9.571 6.103 -2.638 1.00 0.00 C ATOM 403 CG ASP A 27 9.983 5.433 -1.326 1.00 0.00 C ATOM 404 OD1 ASP A 27 9.186 4.725 -0.692 1.00 0.00 O ATOM 405 OD2 ASP A 27 11.195 5.665 -0.953 1.00 0.00 O ATOM 0 H ASP A 27 8.453 6.628 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 27 10.551 4.779 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.255 6.928 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.578 6.535 -2.512 1.00 0.00 H new ATOM 411 N SER A 28 9.044 3.002 -2.954 1.00 0.00 N ATOM 412 CA SER A 28 8.206 1.861 -2.630 1.00 0.00 C ATOM 413 C SER A 28 7.200 2.244 -1.542 1.00 0.00 C ATOM 414 O SER A 28 7.213 3.370 -1.049 1.00 0.00 O ATOM 415 CB SER A 28 9.050 0.669 -2.175 1.00 0.00 C ATOM 416 OG SER A 28 8.353 -0.564 -2.315 1.00 0.00 O ATOM 0 H SER A 28 10.017 2.914 -2.660 1.00 0.00 H new ATOM 0 HA SER A 28 7.666 1.567 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.970 0.633 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.338 0.806 -1.133 1.00 0.00 H new ATOM 0 HG SER A 28 8.503 -1.116 -1.519 1.00 0.00 H new ATOM 422 N LEU A 29 6.351 1.285 -1.203 1.00 0.00 N ATOM 423 CA LEU A 29 5.338 1.508 -0.184 1.00 0.00 C ATOM 424 C LEU A 29 5.820 0.921 1.144 1.00 0.00 C ATOM 425 O LEU A 29 5.611 1.514 2.201 1.00 0.00 O ATOM 426 CB LEU A 29 3.986 0.960 -0.644 1.00 0.00 C ATOM 427 CG LEU A 29 3.062 1.956 -1.347 1.00 0.00 C ATOM 428 CD1 LEU A 29 1.773 1.275 -1.812 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.782 3.168 -0.457 1.00 0.00 C ATOM 0 H LEU A 29 6.343 0.352 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 29 5.186 2.575 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.166 0.123 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.463 0.561 0.225 1.00 0.00 H new ATOM 0 HG LEU A 29 3.571 2.323 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.134 2.005 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.016 0.473 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.249 0.861 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.123 3.860 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.303 2.839 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.720 3.670 -0.220 1.00 0.00 H new ATOM 441 N LEU A 30 6.457 -0.236 1.046 1.00 0.00 N ATOM 442 CA LEU A 30 6.971 -0.910 2.227 1.00 0.00 C ATOM 443 C LEU A 30 7.979 0.001 2.930 1.00 0.00 C ATOM 444 O LEU A 30 8.147 -0.075 4.146 1.00 0.00 O ATOM 445 CB LEU A 30 7.537 -2.283 1.857 1.00 0.00 C ATOM 446 CG LEU A 30 7.145 -3.440 2.779 1.00 0.00 C ATOM 447 CD1 LEU A 30 5.638 -3.700 2.721 1.00 0.00 C ATOM 448 CD2 LEU A 30 7.957 -4.696 2.457 1.00 0.00 C ATOM 0 H LEU A 30 6.629 -0.724 0.167 1.00 0.00 H new ATOM 0 HA LEU A 30 6.166 -1.103 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.215 -2.526 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.625 -2.213 1.837 1.00 0.00 H new ATOM 0 HG LEU A 30 7.383 -3.157 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.386 -4.527 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.102 -2.805 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.352 -3.954 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.659 -5.503 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.773 -4.994 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.018 -4.487 2.590 1.00 0.00 H new ATOM 460 N ASP A 31 8.624 0.842 2.135 1.00 0.00 N ATOM 461 CA ASP A 31 9.610 1.767 2.666 1.00 0.00 C ATOM 462 C ASP A 31 8.895 2.959 3.303 1.00 0.00 C ATOM 463 O ASP A 31 9.282 3.420 4.376 1.00 0.00 O ATOM 464 CB ASP A 31 10.521 2.298 1.558 1.00 0.00 C ATOM 465 CG ASP A 31 11.144 1.225 0.662 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.778 0.042 0.733 1.00 0.00 O ATOM 467 OD2 ASP A 31 12.056 1.650 -0.146 1.00 0.00 O ATOM 0 H ASP A 31 8.483 0.902 1.127 1.00 0.00 H new ATOM 0 HA ASP A 31 10.211 1.232 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.947 2.983 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.322 2.879 2.015 1.00 0.00 H new ATOM 473 N VAL A 32 7.863 3.427 2.614 1.00 0.00 N ATOM 474 CA VAL A 32 7.090 4.557 3.099 1.00 0.00 C ATOM 475 C VAL A 32 6.653 4.290 4.540 1.00 0.00 C ATOM 476 O VAL A 32 6.546 5.217 5.342 1.00 0.00 O ATOM 477 CB VAL A 32 5.914 4.829 2.158 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.028 5.954 2.697 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.405 5.147 0.744 1.00 0.00 C ATOM 0 H VAL A 32 7.545 3.043 1.724 1.00 0.00 H new ATOM 0 HA VAL A 32 7.699 5.461 3.107 1.00 0.00 H new ATOM 0 HB VAL A 32 5.310 3.923 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.200 6.127 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.635 5.672 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.616 6.866 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.549 5.336 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.043 6.031 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.973 4.301 0.357 1.00 0.00 H new ATOM 489 N VAL A 33 6.410 3.019 4.825 1.00 0.00 N ATOM 490 CA VAL A 33 5.987 2.618 6.156 1.00 0.00 C ATOM 491 C VAL A 33 7.190 2.646 7.100 1.00 0.00 C ATOM 492 O VAL A 33 7.131 3.250 8.170 1.00 0.00 O ATOM 493 CB VAL A 33 5.304 1.250 6.098 1.00 0.00 C ATOM 494 CG1 VAL A 33 5.224 0.618 7.489 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.916 1.357 5.464 1.00 0.00 C ATOM 0 H VAL A 33 6.498 2.253 4.157 1.00 0.00 H new ATOM 0 HA VAL A 33 5.250 3.318 6.549 1.00 0.00 H new ATOM 0 HB VAL A 33 5.911 0.599 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.734 -0.353 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.230 0.490 7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.651 1.267 8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.452 0.371 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.297 2.032 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.008 1.745 4.449 1.00 0.00 H new ATOM 505 N VAL A 34 8.255 1.986 6.669 1.00 0.00 N ATOM 506 CA VAL A 34 9.472 1.928 7.462 1.00 0.00 C ATOM 507 C VAL A 34 9.967 3.350 7.734 1.00 0.00 C ATOM 508 O VAL A 34 10.637 3.597 8.735 1.00 0.00 O ATOM 509 CB VAL A 34 10.513 1.056 6.758 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.900 1.253 7.374 1.00 0.00 C ATOM 511 CG2 VAL A 34 10.105 -0.418 6.787 1.00 0.00 C ATOM 0 H VAL A 34 8.301 1.487 5.781 1.00 0.00 H new ATOM 0 HA VAL A 34 9.277 1.462 8.428 1.00 0.00 H new ATOM 0 HB VAL A 34 10.561 1.369 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.621 0.622 6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.196 2.298 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.872 0.980 8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.863 -1.015 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.014 -0.750 7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.147 -0.541 6.281 1.00 0.00 H new ATOM 521 N GLN A 35 9.618 4.247 6.824 1.00 0.00 N ATOM 522 CA GLN A 35 10.018 5.638 6.954 1.00 0.00 C ATOM 523 C GLN A 35 9.042 6.390 7.861 1.00 0.00 C ATOM 524 O GLN A 35 9.342 7.488 8.327 1.00 0.00 O ATOM 525 CB GLN A 35 10.120 6.309 5.583 1.00 0.00 C ATOM 526 CG GLN A 35 11.196 5.642 4.724 1.00 0.00 C ATOM 527 CD GLN A 35 12.402 6.565 4.541 1.00 0.00 C ATOM 528 OE1 GLN A 35 12.340 7.762 4.766 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.500 5.944 4.121 1.00 0.00 N ATOM 0 H GLN A 35 9.063 4.038 5.994 1.00 0.00 H new ATOM 0 HA GLN A 35 11.006 5.670 7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.158 6.253 5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.353 7.366 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.514 4.711 5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.780 5.384 3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.484 4.938 3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.358 6.473 3.968 1.00 0.00 H new ATOM 538 N ASN A 36 7.894 5.768 8.085 1.00 0.00 N ATOM 539 CA ASN A 36 6.872 6.364 8.928 1.00 0.00 C ATOM 540 C ASN A 36 6.973 5.777 10.337 1.00 0.00 C ATOM 541 O ASN A 36 6.043 5.899 11.133 1.00 0.00 O ATOM 542 CB ASN A 36 5.471 6.065 8.391 1.00 0.00 C ATOM 543 CG ASN A 36 4.425 6.966 9.051 1.00 0.00 C ATOM 544 OD1 ASN A 36 3.795 6.614 10.033 1.00 0.00 O ATOM 545 ND2 ASN A 36 4.279 8.149 8.459 1.00 0.00 N ATOM 0 H ASN A 36 7.649 4.857 7.697 1.00 0.00 H new ATOM 0 HA ASN A 36 7.031 7.442 8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.453 6.212 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.223 5.020 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.607 8.823 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.839 8.381 7.639 1.00 0.00 H new ATOM 552 N ASN A 37 8.110 5.153 10.603 1.00 0.00 N ATOM 553 CA ASN A 37 8.345 4.546 11.903 1.00 0.00 C ATOM 554 C ASN A 37 7.598 3.213 11.981 1.00 0.00 C ATOM 555 O ASN A 37 7.468 2.633 13.058 1.00 0.00 O ATOM 556 CB ASN A 37 7.831 5.443 13.030 1.00 0.00 C ATOM 557 CG ASN A 37 8.737 5.351 14.260 1.00 0.00 C ATOM 558 OD1 ASN A 37 9.800 5.946 14.327 1.00 0.00 O ATOM 559 ND2 ASN A 37 8.258 4.574 15.228 1.00 0.00 N ATOM 0 H ASN A 37 8.880 5.054 9.941 1.00 0.00 H new ATOM 0 HA ASN A 37 9.419 4.401 12.019 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.784 6.476 12.685 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.816 5.150 13.299 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.788 4.448 16.090 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.361 4.104 15.108 1.00 0.00 H new ATOM 566 N LEU A 38 7.127 2.766 10.826 1.00 0.00 N ATOM 567 CA LEU A 38 6.395 1.512 10.751 1.00 0.00 C ATOM 568 C LEU A 38 5.538 1.352 12.006 1.00 0.00 C ATOM 569 O LEU A 38 5.883 0.588 12.906 1.00 0.00 O ATOM 570 CB LEU A 38 7.356 0.347 10.509 1.00 0.00 C ATOM 571 CG LEU A 38 6.846 -1.038 10.915 1.00 0.00 C ATOM 572 CD1 LEU A 38 6.760 -1.967 9.702 1.00 0.00 C ATOM 573 CD2 LEU A 38 7.704 -1.632 12.033 1.00 0.00 C ATOM 0 H LEU A 38 7.238 3.249 9.935 1.00 0.00 H new ATOM 0 HA LEU A 38 5.715 1.517 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.607 0.323 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.280 0.546 11.051 1.00 0.00 H new ATOM 0 HG LEU A 38 5.836 -0.929 11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.395 -2.944 10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.075 -1.544 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.749 -2.075 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.320 -2.616 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.734 -1.726 11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.670 -0.978 12.904 1.00 0.00 H new ATOM 585 N ASP A 39 4.433 2.083 12.027 1.00 0.00 N ATOM 586 CA ASP A 39 3.521 2.031 13.158 1.00 0.00 C ATOM 587 C ASP A 39 2.451 0.970 12.896 1.00 0.00 C ATOM 588 O ASP A 39 1.316 1.103 13.352 1.00 0.00 O ATOM 589 CB ASP A 39 2.816 3.374 13.359 1.00 0.00 C ATOM 590 CG ASP A 39 2.685 3.822 14.816 1.00 0.00 C ATOM 591 OD1 ASP A 39 1.585 3.812 15.390 1.00 0.00 O ATOM 592 OD2 ASP A 39 3.786 4.200 15.373 1.00 0.00 O ATOM 0 H ASP A 39 4.148 2.715 11.279 1.00 0.00 H new ATOM 0 HA ASP A 39 4.102 1.792 14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.360 4.140 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.819 3.313 12.922 1.00 0.00 H new ATOM 598 N ILE A 40 2.850 -0.058 12.162 1.00 0.00 N ATOM 599 CA ILE A 40 1.938 -1.142 11.834 1.00 0.00 C ATOM 600 C ILE A 40 2.688 -2.473 11.909 1.00 0.00 C ATOM 601 O ILE A 40 2.738 -3.217 10.929 1.00 0.00 O ATOM 602 CB ILE A 40 1.269 -0.888 10.482 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.704 0.533 10.408 1.00 0.00 C ATOM 604 CG2 ILE A 40 0.202 -1.945 10.191 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.297 0.886 8.976 1.00 0.00 C ATOM 0 H ILE A 40 3.792 -0.164 11.785 1.00 0.00 H new ATOM 0 HA ILE A 40 1.127 -1.191 12.560 1.00 0.00 H new ATOM 0 HB ILE A 40 2.028 -0.974 9.704 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.160 0.620 11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.450 1.244 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.258 -1.741 9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.663 -2.932 10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.561 -1.916 10.969 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.101 1.900 8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.168 0.822 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.466 0.188 8.632 1.00 0.00 H new ATOM 657 N GLY A 44 4.230 -6.457 6.003 1.00 0.00 N ATOM 658 CA GLY A 44 5.171 -7.240 5.220 1.00 0.00 C ATOM 659 C GLY A 44 6.101 -8.046 6.128 1.00 0.00 C ATOM 660 O GLY A 44 6.856 -7.476 6.914 1.00 0.00 O ATOM 0 HA2 GLY A 44 4.627 -7.915 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.760 -6.579 4.585 1.00 0.00 H new ATOM 664 N ALA A 45 6.018 -9.362 5.990 1.00 0.00 N ATOM 665 CA ALA A 45 6.843 -10.252 6.788 1.00 0.00 C ATOM 666 C ALA A 45 8.034 -10.723 5.951 1.00 0.00 C ATOM 667 O ALA A 45 9.155 -11.046 6.420 1.00 0.00 O ATOM 668 CB ALA A 45 5.991 -11.417 7.298 1.00 0.00 C ATOM 0 H ALA A 45 5.392 -9.833 5.337 1.00 0.00 H new ATOM 0 HA ALA A 45 7.238 -9.731 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.610 -12.085 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.176 -11.031 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.580 -11.965 6.450 1.00 0.00 H new ATOM 674 N CYS A 46 7.815 -10.779 4.646 1.00 0.00 N ATOM 675 CA CYS A 46 8.807 -11.198 3.671 1.00 0.00 C ATOM 676 C CYS A 46 9.619 -10.051 3.104 1.00 0.00 C ATOM 677 O CYS A 46 10.419 -10.306 2.205 1.00 0.00 O ATOM 678 CB CYS A 46 8.198 -12.035 2.554 1.00 0.00 C ATOM 679 SG CYS A 46 7.325 -11.176 1.227 1.00 0.00 S ATOM 0 H CYS A 46 6.920 -10.528 4.227 1.00 0.00 H new ATOM 0 HA CYS A 46 9.502 -11.828 4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.998 -12.621 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.503 -12.742 3.008 1.00 0.00 H new ATOM 0 HG CYS A 46 6.042 -11.294 1.404 1.00 0.00 H new ATOM 684 N GLU A 47 9.407 -8.839 3.598 1.00 0.00 N ATOM 685 CA GLU A 47 10.132 -7.687 3.090 1.00 0.00 C ATOM 686 C GLU A 47 9.555 -7.247 1.744 1.00 0.00 C ATOM 687 O GLU A 47 10.067 -6.321 1.117 1.00 0.00 O ATOM 688 CB GLU A 47 11.628 -7.989 2.972 1.00 0.00 C ATOM 689 CG GLU A 47 12.463 -6.733 3.230 1.00 0.00 C ATOM 690 CD GLU A 47 12.861 -6.633 4.704 1.00 0.00 C ATOM 691 OE1 GLU A 47 13.238 -7.643 5.314 1.00 0.00 O ATOM 692 OE2 GLU A 47 12.768 -5.452 5.215 1.00 0.00 O ATOM 0 H GLU A 47 8.744 -8.631 4.344 1.00 0.00 H new ATOM 0 HA GLU A 47 10.014 -6.867 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.903 -8.766 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.847 -8.378 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.358 -6.753 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.895 -5.849 2.942 1.00 0.00 H new ATOM 700 N GLY A 48 8.495 -7.931 1.338 1.00 0.00 N ATOM 701 CA GLY A 48 7.841 -7.621 0.078 1.00 0.00 C ATOM 702 C GLY A 48 8.495 -8.380 -1.079 1.00 0.00 C ATOM 703 O GLY A 48 9.447 -7.894 -1.686 1.00 0.00 O ATOM 0 H GLY A 48 8.073 -8.699 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.784 -7.882 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.894 -6.549 -0.109 1.00 0.00 H new ATOM 707 N THR A 49 7.956 -9.560 -1.349 1.00 0.00 N ATOM 708 CA THR A 49 8.474 -10.392 -2.423 1.00 0.00 C ATOM 709 C THR A 49 7.531 -11.566 -2.691 1.00 0.00 C ATOM 710 O THR A 49 7.959 -12.610 -3.181 1.00 0.00 O ATOM 711 CB THR A 49 9.892 -10.825 -2.043 1.00 0.00 C ATOM 712 OG1 THR A 49 10.407 -11.413 -3.234 1.00 0.00 O ATOM 713 CG2 THR A 49 9.901 -11.970 -1.028 1.00 0.00 C ATOM 0 H THR A 49 7.166 -9.960 -0.843 1.00 0.00 H new ATOM 0 HA THR A 49 8.528 -9.839 -3.361 1.00 0.00 H new ATOM 0 HB THR A 49 10.435 -9.973 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.780 -12.092 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.931 -12.239 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.391 -11.654 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.388 -12.834 -1.450 1.00 0.00 H new ATOM 721 N LEU A 50 6.266 -11.356 -2.357 1.00 0.00 N ATOM 722 CA LEU A 50 5.260 -12.384 -2.556 1.00 0.00 C ATOM 723 C LEU A 50 5.718 -13.678 -1.880 1.00 0.00 C ATOM 724 O LEU A 50 6.366 -14.515 -2.506 1.00 0.00 O ATOM 725 CB LEU A 50 4.946 -12.546 -4.045 1.00 0.00 C ATOM 726 CG LEU A 50 4.629 -11.258 -4.807 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.153 -11.565 -6.229 1.00 0.00 C ATOM 728 CD2 LEU A 50 3.622 -10.399 -4.039 1.00 0.00 C ATOM 0 H LEU A 50 5.915 -10.489 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 50 4.321 -12.093 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.797 -13.029 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.097 -13.223 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 50 5.548 -10.678 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.934 -10.632 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.933 -12.105 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.252 -12.177 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.415 -9.490 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.697 -10.959 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.036 -10.136 -3.066 1.00 0.00 H new ATOM 740 N ALA A 51 5.362 -13.802 -0.609 1.00 0.00 N ATOM 741 CA ALA A 51 5.729 -14.980 0.159 1.00 0.00 C ATOM 742 C ALA A 51 5.078 -14.904 1.542 1.00 0.00 C ATOM 743 O ALA A 51 4.626 -15.916 2.075 1.00 0.00 O ATOM 744 CB ALA A 51 7.253 -15.085 0.237 1.00 0.00 C ATOM 0 H ALA A 51 4.824 -13.106 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 51 5.365 -15.885 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.528 -15.969 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.664 -15.166 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.655 -14.196 0.723 1.00 0.00 H new ATOM 750 N CYS A 52 5.053 -13.695 2.083 1.00 0.00 N ATOM 751 CA CYS A 52 4.465 -13.474 3.393 1.00 0.00 C ATOM 752 C CYS A 52 2.942 -13.508 3.250 1.00 0.00 C ATOM 753 O CYS A 52 2.256 -14.173 4.023 1.00 0.00 O ATOM 754 CB CYS A 52 4.950 -12.164 4.017 1.00 0.00 C ATOM 755 SG CYS A 52 4.619 -10.769 2.881 1.00 0.00 S ATOM 0 H CYS A 52 5.430 -12.858 1.638 1.00 0.00 H new ATOM 0 HA CYS A 52 4.782 -14.264 4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.446 -11.996 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.017 -12.226 4.229 1.00 0.00 H new ATOM 0 HG CYS A 52 5.746 -10.263 2.475 1.00 0.00 H new ATOM 761 N SER A 53 2.458 -12.782 2.252 1.00 0.00 N ATOM 762 CA SER A 53 1.028 -12.721 1.997 1.00 0.00 C ATOM 763 C SER A 53 0.329 -11.949 3.118 1.00 0.00 C ATOM 764 O SER A 53 -0.898 -11.878 3.154 1.00 0.00 O ATOM 765 CB SER A 53 0.432 -14.123 1.865 1.00 0.00 C ATOM 766 OG SER A 53 -0.050 -14.618 3.112 1.00 0.00 O ATOM 0 H SER A 53 3.030 -12.232 1.611 1.00 0.00 H new ATOM 0 HA SER A 53 0.871 -12.199 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.384 -14.103 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.188 -14.803 1.473 1.00 0.00 H new ATOM 0 HG SER A 53 0.697 -14.707 3.740 1.00 0.00 H new ATOM 772 N THR A 54 1.141 -11.391 4.003 1.00 0.00 N ATOM 773 CA THR A 54 0.615 -10.626 5.122 1.00 0.00 C ATOM 774 C THR A 54 0.949 -9.143 4.958 1.00 0.00 C ATOM 775 O THR A 54 1.120 -8.428 5.945 1.00 0.00 O ATOM 776 CB THR A 54 1.168 -11.235 6.412 1.00 0.00 C ATOM 777 OG1 THR A 54 2.576 -11.291 6.193 1.00 0.00 O ATOM 778 CG2 THR A 54 0.761 -12.699 6.591 1.00 0.00 C ATOM 0 H THR A 54 2.159 -11.453 3.969 1.00 0.00 H new ATOM 0 HA THR A 54 -0.473 -10.679 5.161 1.00 0.00 H new ATOM 0 HB THR A 54 0.819 -10.655 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.015 -11.672 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.180 -13.082 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.326 -12.773 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.139 -13.287 5.754 1.00 0.00 H new ATOM 786 N CYS A 55 1.031 -8.723 3.704 1.00 0.00 N ATOM 787 CA CYS A 55 1.341 -7.336 3.398 1.00 0.00 C ATOM 788 C CYS A 55 0.206 -6.767 2.547 1.00 0.00 C ATOM 789 O CYS A 55 0.373 -5.742 1.887 1.00 0.00 O ATOM 790 CB CYS A 55 2.698 -7.199 2.705 1.00 0.00 C ATOM 791 SG CYS A 55 2.528 -7.560 0.919 1.00 0.00 S ATOM 0 H CYS A 55 0.888 -9.318 2.888 1.00 0.00 H new ATOM 0 HA CYS A 55 1.421 -6.766 4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.087 -6.190 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.417 -7.883 3.156 1.00 0.00 H new ATOM 0 HG CYS A 55 1.670 -6.739 0.390 1.00 0.00 H new ATOM 797 N HIS A 56 -0.925 -7.456 2.588 1.00 0.00 N ATOM 798 CA HIS A 56 -2.088 -7.032 1.827 1.00 0.00 C ATOM 799 C HIS A 56 -2.503 -5.626 2.265 1.00 0.00 C ATOM 800 O HIS A 56 -2.124 -5.170 3.343 1.00 0.00 O ATOM 801 CB HIS A 56 -3.222 -8.051 1.954 1.00 0.00 C ATOM 802 CG HIS A 56 -3.494 -8.493 3.372 1.00 0.00 C ATOM 803 ND1 HIS A 56 -3.355 -7.649 4.460 1.00 0.00 N ATOM 804 CD2 HIS A 56 -3.900 -9.697 3.868 1.00 0.00 C ATOM 805 CE1 HIS A 56 -3.664 -8.327 5.556 1.00 0.00 C ATOM 0 H HIS A 56 -1.061 -8.305 3.137 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.836 -6.986 0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.132 -7.620 1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.979 -8.926 1.352 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.064 -6.672 4.424 1.00 0.00 H new ATOM 814 N LEU A 57 -3.277 -4.977 1.407 1.00 0.00 N ATOM 815 CA LEU A 57 -3.748 -3.633 1.693 1.00 0.00 C ATOM 816 C LEU A 57 -5.074 -3.396 0.967 1.00 0.00 C ATOM 817 O LEU A 57 -5.381 -4.078 -0.008 1.00 0.00 O ATOM 818 CB LEU A 57 -2.668 -2.604 1.351 1.00 0.00 C ATOM 819 CG LEU A 57 -1.430 -2.607 2.250 1.00 0.00 C ATOM 820 CD1 LEU A 57 -0.348 -1.677 1.697 1.00 0.00 C ATOM 821 CD2 LEU A 57 -1.800 -2.261 3.694 1.00 0.00 C ATOM 0 H LEU A 57 -3.589 -5.357 0.514 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.943 -3.516 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.347 -2.772 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.116 -1.611 1.387 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.015 -3.615 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.521 -1.698 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.057 -2.010 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.736 -0.660 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.902 -2.270 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.253 -1.270 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.509 -2.996 4.074 1.00 0.00 H new ATOM 833 N ILE A 58 -5.824 -2.427 1.472 1.00 0.00 N ATOM 834 CA ILE A 58 -7.109 -2.092 0.884 1.00 0.00 C ATOM 835 C ILE A 58 -7.032 -0.698 0.259 1.00 0.00 C ATOM 836 O ILE A 58 -6.988 0.303 0.972 1.00 0.00 O ATOM 837 CB ILE A 58 -8.226 -2.242 1.918 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.887 -3.329 2.939 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.573 -2.494 1.239 1.00 0.00 C ATOM 840 CD1 ILE A 58 -7.729 -4.691 2.258 1.00 0.00 C ATOM 0 H ILE A 58 -5.566 -1.863 2.282 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.354 -2.788 0.081 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.312 -1.303 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.965 -3.069 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.673 -3.384 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.349 -2.597 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.813 -1.656 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.518 -3.409 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.488 -5.446 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.660 -4.959 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.926 -4.639 1.523 1.00 0.00 H new ATOM 852 N PHE A 59 -7.018 -0.678 -1.065 1.00 0.00 N ATOM 853 CA PHE A 59 -6.946 0.577 -1.794 1.00 0.00 C ATOM 854 C PHE A 59 -8.345 1.082 -2.156 1.00 0.00 C ATOM 855 O PHE A 59 -9.158 0.335 -2.699 1.00 0.00 O ATOM 856 CB PHE A 59 -6.169 0.303 -3.083 1.00 0.00 C ATOM 857 CG PHE A 59 -4.663 0.124 -2.875 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.182 -1.040 -2.361 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.807 1.129 -3.202 1.00 0.00 C ATOM 860 CE1 PHE A 59 -2.784 -1.206 -2.168 1.00 0.00 C ATOM 861 CE2 PHE A 59 -2.410 0.962 -3.008 1.00 0.00 C ATOM 862 CZ PHE A 59 -1.928 -0.201 -2.495 1.00 0.00 C ATOM 0 H PHE A 59 -7.055 -1.511 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.461 1.336 -1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.570 -0.595 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.334 1.127 -3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.862 -1.837 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.189 2.053 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.401 -2.130 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.730 1.760 -3.268 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.866 -0.327 -2.347 1.00 0.00 H new ATOM 872 N GLU A 60 -8.584 2.346 -1.837 1.00 0.00 N ATOM 873 CA GLU A 60 -9.870 2.959 -2.122 1.00 0.00 C ATOM 874 C GLU A 60 -10.435 2.423 -3.438 1.00 0.00 C ATOM 875 O GLU A 60 -9.715 2.321 -4.431 1.00 0.00 O ATOM 876 CB GLU A 60 -9.755 4.484 -2.155 1.00 0.00 C ATOM 877 CG GLU A 60 -10.416 5.111 -0.926 1.00 0.00 C ATOM 878 CD GLU A 60 -10.797 6.569 -1.192 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.043 7.483 -0.830 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.923 6.736 -1.799 1.00 0.00 O ATOM 0 H GLU A 60 -7.909 2.962 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.560 2.697 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.705 4.772 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.225 4.868 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.306 4.542 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.736 5.058 -0.076 1.00 0.00 H new ATOM 888 N GLN A 61 -11.718 2.093 -3.405 1.00 0.00 N ATOM 889 CA GLN A 61 -12.387 1.570 -4.584 1.00 0.00 C ATOM 890 C GLN A 61 -12.173 2.505 -5.775 1.00 0.00 C ATOM 891 O GLN A 61 -12.325 2.097 -6.925 1.00 0.00 O ATOM 892 CB GLN A 61 -13.878 1.354 -4.317 1.00 0.00 C ATOM 893 CG GLN A 61 -14.143 -0.062 -3.801 1.00 0.00 C ATOM 894 CD GLN A 61 -15.517 -0.562 -4.255 1.00 0.00 C ATOM 895 OE1 GLN A 61 -16.186 0.042 -5.077 1.00 0.00 O ATOM 896 NE2 GLN A 61 -15.898 -1.697 -3.675 1.00 0.00 N ATOM 0 H GLN A 61 -12.312 2.178 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.950 0.601 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.230 2.083 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.443 1.523 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.368 -0.737 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.090 -0.072 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.289 -2.151 -2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.799 -2.113 -3.911 1.00 0.00 H new ATOM 905 N HIS A 62 -11.824 3.744 -5.459 1.00 0.00 N ATOM 906 CA HIS A 62 -11.587 4.741 -6.489 1.00 0.00 C ATOM 907 C HIS A 62 -10.121 4.692 -6.923 1.00 0.00 C ATOM 908 O HIS A 62 -9.784 5.111 -8.030 1.00 0.00 O ATOM 909 CB HIS A 62 -12.017 6.129 -6.010 1.00 0.00 C ATOM 910 CG HIS A 62 -13.231 6.676 -6.724 1.00 0.00 C ATOM 911 ND1 HIS A 62 -13.168 7.753 -7.591 1.00 0.00 N ATOM 912 CD2 HIS A 62 -14.536 6.283 -6.691 1.00 0.00 C ATOM 913 CE1 HIS A 62 -14.387 7.990 -8.052 1.00 0.00 C ATOM 0 H HIS A 62 -11.700 4.080 -4.504 1.00 0.00 H new ATOM 0 HA HIS A 62 -12.197 4.517 -7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.226 6.085 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.186 6.822 -6.144 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -12.326 8.275 -7.834 1.00 0.00 H new ATOM 922 N ILE A 63 -9.289 4.175 -6.032 1.00 0.00 N ATOM 923 CA ILE A 63 -7.868 4.066 -6.310 1.00 0.00 C ATOM 924 C ILE A 63 -7.577 2.696 -6.926 1.00 0.00 C ATOM 925 O ILE A 63 -6.978 2.608 -7.997 1.00 0.00 O ATOM 926 CB ILE A 63 -7.051 4.358 -5.049 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.578 5.601 -4.330 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.560 4.473 -5.375 1.00 0.00 C ATOM 929 CD1 ILE A 63 -6.775 5.881 -3.058 1.00 0.00 C ATOM 0 H ILE A 63 -9.572 3.827 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.565 4.816 -7.040 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.167 3.517 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.522 6.462 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.629 5.461 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.003 4.681 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.209 3.537 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.405 5.284 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.170 6.770 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.853 5.028 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.729 6.045 -3.317 1.00 0.00 H new ATOM 941 N PHE A 64 -8.015 1.661 -6.225 1.00 0.00 N ATOM 942 CA PHE A 64 -7.810 0.300 -6.690 1.00 0.00 C ATOM 943 C PHE A 64 -8.248 0.147 -8.148 1.00 0.00 C ATOM 944 O PHE A 64 -7.821 -0.780 -8.835 1.00 0.00 O ATOM 945 CB PHE A 64 -8.674 -0.608 -5.813 1.00 0.00 C ATOM 946 CG PHE A 64 -8.772 -2.050 -6.316 1.00 0.00 C ATOM 947 CD1 PHE A 64 -7.768 -2.930 -6.056 1.00 0.00 C ATOM 948 CD2 PHE A 64 -9.862 -2.450 -7.024 1.00 0.00 C ATOM 949 CE1 PHE A 64 -7.859 -4.269 -6.523 1.00 0.00 C ATOM 950 CE2 PHE A 64 -9.953 -3.788 -7.490 1.00 0.00 C ATOM 951 CZ PHE A 64 -8.950 -4.669 -7.231 1.00 0.00 C ATOM 0 H PHE A 64 -8.512 1.738 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.753 0.041 -6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.267 -0.614 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.677 -0.187 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.902 -2.611 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.658 -1.750 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.063 -4.969 -6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.819 -4.106 -8.051 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.019 -5.686 -7.587 1.00 0.00 H new ATOM 961 N GLU A 65 -9.095 1.071 -8.579 1.00 0.00 N ATOM 962 CA GLU A 65 -9.595 1.051 -9.943 1.00 0.00 C ATOM 963 C GLU A 65 -8.717 1.923 -10.843 1.00 0.00 C ATOM 964 O GLU A 65 -9.172 2.406 -11.878 1.00 0.00 O ATOM 965 CB GLU A 65 -11.056 1.502 -9.997 1.00 0.00 C ATOM 966 CG GLU A 65 -11.176 3.003 -9.722 1.00 0.00 C ATOM 967 CD GLU A 65 -12.590 3.504 -10.023 1.00 0.00 C ATOM 968 OE1 GLU A 65 -13.572 2.909 -9.553 1.00 0.00 O ATOM 969 OE2 GLU A 65 -12.650 4.551 -10.774 1.00 0.00 O ATOM 0 H GLU A 65 -9.448 1.838 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.552 0.026 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.475 1.273 -10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.640 0.946 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.928 3.206 -8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.456 3.547 -10.333 1.00 0.00 H new ATOM 977 N LYS A 66 -7.475 2.095 -10.416 1.00 0.00 N ATOM 978 CA LYS A 66 -6.529 2.900 -11.171 1.00 0.00 C ATOM 979 C LYS A 66 -5.105 2.453 -10.836 1.00 0.00 C ATOM 980 O LYS A 66 -4.171 3.251 -10.896 1.00 0.00 O ATOM 981 CB LYS A 66 -6.780 4.390 -10.927 1.00 0.00 C ATOM 982 CG LYS A 66 -6.222 4.826 -9.571 1.00 0.00 C ATOM 983 CD LYS A 66 -5.860 6.312 -9.579 1.00 0.00 C ATOM 984 CE LYS A 66 -7.032 7.165 -9.088 1.00 0.00 C ATOM 0 H LYS A 66 -7.101 1.691 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.667 2.748 -12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.315 4.975 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.850 4.593 -10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.958 4.632 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.339 4.234 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.991 6.482 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.581 6.617 -10.588 1.00 0.00 H new ATOM 998 N LEU A 67 -4.984 1.180 -10.491 1.00 0.00 N ATOM 999 CA LEU A 67 -3.689 0.618 -10.147 1.00 0.00 C ATOM 1000 C LEU A 67 -3.296 -0.424 -11.196 1.00 0.00 C ATOM 1001 O LEU A 67 -4.159 -1.001 -11.855 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.704 0.076 -8.716 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.986 1.100 -7.614 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -4.385 0.404 -6.310 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.795 2.041 -7.421 1.00 0.00 C ATOM 0 H LEU A 67 -5.761 0.521 -10.442 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.921 1.391 -10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.456 -0.711 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.739 -0.389 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.832 1.713 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.580 1.153 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.284 -0.189 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.575 -0.248 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.022 2.758 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.915 1.462 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.598 2.574 -8.351 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.993 -0.635 -11.315 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.476 -1.597 -12.272 1.00 0.00 C ATOM 1019 C GLU A 68 -2.020 -2.994 -11.967 1.00 0.00 C ATOM 1020 O GLU A 68 -2.463 -3.262 -10.851 1.00 0.00 O ATOM 1021 CB GLU A 68 0.055 -1.594 -12.279 1.00 0.00 C ATOM 1022 CG GLU A 68 0.599 -0.237 -12.729 1.00 0.00 C ATOM 1023 CD GLU A 68 0.014 0.165 -14.084 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -0.284 -0.706 -14.915 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -0.129 1.435 -14.261 1.00 0.00 O ATOM 0 H GLU A 68 -1.281 -0.156 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.812 -1.307 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.427 -1.826 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.421 -2.375 -12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.356 0.521 -11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.686 -0.281 -12.797 1.00 0.00 H new ATOM 1033 N ALA A 69 -1.969 -3.848 -12.978 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.451 -5.211 -12.833 1.00 0.00 C ATOM 1035 C ALA A 69 -1.377 -6.058 -12.149 1.00 0.00 C ATOM 1036 O ALA A 69 -0.378 -5.527 -11.665 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.844 -5.764 -14.204 1.00 0.00 C ATOM 0 H ALA A 69 -1.601 -3.622 -13.902 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.341 -5.237 -12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.205 -6.786 -14.094 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.632 -5.145 -14.634 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.975 -5.755 -14.863 1.00 0.00 H new ATOM 1043 N ILE A 70 -1.617 -7.361 -12.132 1.00 0.00 N ATOM 1044 CA ILE A 70 -0.681 -8.286 -11.515 1.00 0.00 C ATOM 1045 C ILE A 70 -0.667 -9.594 -12.310 1.00 0.00 C ATOM 1046 O ILE A 70 -1.341 -9.711 -13.332 1.00 0.00 O ATOM 1047 CB ILE A 70 -1.008 -8.471 -10.033 1.00 0.00 C ATOM 1048 CG1 ILE A 70 0.262 -8.422 -9.181 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -1.804 -9.758 -9.802 1.00 0.00 C ATOM 1050 CD1 ILE A 70 0.692 -6.978 -8.919 1.00 0.00 C ATOM 0 H ILE A 70 -2.446 -7.798 -12.535 1.00 0.00 H new ATOM 0 HA ILE A 70 0.331 -7.882 -11.545 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.640 -7.641 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.088 -8.931 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.065 -8.958 -9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.023 -9.865 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.738 -9.714 -10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.219 -10.613 -10.139 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.597 -6.972 -8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.889 -6.479 -9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.103 -6.452 -8.391 1.00 0.00 H new ATOM 1062 N THR A 71 0.109 -10.545 -11.808 1.00 0.00 N ATOM 1063 CA THR A 71 0.220 -11.839 -12.458 1.00 0.00 C ATOM 1064 C THR A 71 -0.460 -12.919 -11.615 1.00 0.00 C ATOM 1065 O THR A 71 -1.178 -12.610 -10.666 1.00 0.00 O ATOM 1066 CB THR A 71 1.703 -12.114 -12.716 1.00 0.00 C ATOM 1067 OG1 THR A 71 2.360 -11.570 -11.573 1.00 0.00 O ATOM 1068 CG2 THR A 71 2.255 -11.297 -13.886 1.00 0.00 C ATOM 0 H THR A 71 0.666 -10.444 -10.959 1.00 0.00 H new ATOM 0 HA THR A 71 -0.298 -11.845 -13.417 1.00 0.00 H new ATOM 0 HB THR A 71 1.846 -13.176 -12.915 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.327 -11.706 -11.656 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.311 -11.530 -14.026 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.705 -11.544 -14.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.143 -10.234 -13.672 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.209 -14.165 -11.992 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.789 -15.292 -11.282 1.00 0.00 C ATOM 1078 C ASP A 72 -0.030 -15.508 -9.971 1.00 0.00 C ATOM 1079 O ASP A 72 -0.637 -15.787 -8.937 1.00 0.00 O ATOM 1080 CB ASP A 72 -0.682 -16.576 -12.107 1.00 0.00 C ATOM 1081 CG ASP A 72 0.713 -16.875 -12.661 1.00 0.00 C ATOM 1082 OD1 ASP A 72 1.438 -15.965 -13.090 1.00 0.00 O ATOM 1083 OD2 ASP A 72 1.053 -18.119 -12.639 1.00 0.00 O ATOM 0 H ASP A 72 0.388 -14.418 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.840 -15.069 -11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.998 -17.415 -11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.382 -16.514 -12.940 1.00 0.00 H new ATOM 1089 N GLU A 73 1.285 -15.371 -10.056 1.00 0.00 N ATOM 1090 CA GLU A 73 2.132 -15.547 -8.888 1.00 0.00 C ATOM 1091 C GLU A 73 1.598 -14.722 -7.716 1.00 0.00 C ATOM 1092 O GLU A 73 1.360 -15.257 -6.634 1.00 0.00 O ATOM 1093 CB GLU A 73 3.583 -15.177 -9.204 1.00 0.00 C ATOM 1094 CG GLU A 73 4.364 -14.882 -7.922 1.00 0.00 C ATOM 1095 CD GLU A 73 5.860 -14.744 -8.212 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.260 -13.879 -9.007 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.618 -15.572 -7.576 1.00 0.00 O ATOM 0 H GLU A 73 1.785 -15.140 -10.915 1.00 0.00 H new ATOM 0 HA GLU A 73 2.113 -16.599 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.061 -15.993 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.606 -14.305 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.992 -13.964 -7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.202 -15.683 -7.201 1.00 0.00 H new ATOM 1105 N GLU A 74 1.426 -13.433 -7.969 1.00 0.00 N ATOM 1106 CA GLU A 74 0.926 -12.530 -6.948 1.00 0.00 C ATOM 1107 C GLU A 74 -0.507 -12.904 -6.565 1.00 0.00 C ATOM 1108 O GLU A 74 -0.839 -12.977 -5.383 1.00 0.00 O ATOM 1109 CB GLU A 74 1.007 -11.075 -7.416 1.00 0.00 C ATOM 1110 CG GLU A 74 0.753 -10.111 -6.255 1.00 0.00 C ATOM 1111 CD GLU A 74 1.620 -8.857 -6.384 1.00 0.00 C ATOM 1112 OE1 GLU A 74 2.533 -8.819 -7.223 1.00 0.00 O ATOM 1113 OE2 GLU A 74 1.317 -7.899 -5.575 1.00 0.00 O ATOM 0 H GLU A 74 1.624 -12.993 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 74 1.555 -12.628 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.990 -10.882 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.275 -10.901 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.300 -9.829 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.967 -10.610 -5.310 1.00 0.00 H new ATOM 1121 N ASN A 75 -1.320 -13.131 -7.587 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.710 -13.496 -7.372 1.00 0.00 C ATOM 1123 C ASN A 75 -2.799 -14.481 -6.205 1.00 0.00 C ATOM 1124 O ASN A 75 -3.718 -14.401 -5.391 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.299 -14.174 -8.611 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.696 -14.725 -8.321 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.619 -14.002 -7.983 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -4.800 -16.042 -8.472 1.00 0.00 N ATOM 0 H ASN A 75 -1.042 -13.069 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.270 -12.585 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.349 -13.459 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.644 -14.984 -8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.692 -16.506 -8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.987 -16.588 -8.757 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.833 -15.387 -6.162 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.791 -16.386 -5.108 1.00 0.00 C ATOM 1137 C ASP A 76 -1.585 -15.691 -3.760 1.00 0.00 C ATOM 1138 O ASP A 76 -2.325 -15.941 -2.809 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.632 -17.361 -5.320 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.369 -18.315 -4.152 1.00 0.00 C ATOM 1141 OD1 ASP A 76 0.468 -18.040 -3.280 1.00 0.00 O ATOM 1142 OD2 ASP A 76 -1.074 -19.396 -4.162 1.00 0.00 O ATOM 0 H ASP A 76 -1.074 -15.450 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.732 -16.936 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.832 -17.951 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.275 -16.788 -5.513 1.00 0.00 H new ATOM 1148 N MET A 77 -0.577 -14.834 -3.721 1.00 0.00 N ATOM 1149 CA MET A 77 -0.263 -14.102 -2.505 1.00 0.00 C ATOM 1150 C MET A 77 -1.508 -13.406 -1.949 1.00 0.00 C ATOM 1151 O MET A 77 -1.646 -13.251 -0.737 1.00 0.00 O ATOM 1152 CB MET A 77 0.816 -13.058 -2.802 1.00 0.00 C ATOM 1153 CG MET A 77 1.240 -12.331 -1.524 1.00 0.00 C ATOM 1154 SD MET A 77 0.053 -11.061 -1.120 1.00 0.00 S ATOM 1155 CE MET A 77 -0.043 -10.218 -2.691 1.00 0.00 C ATOM 0 H MET A 77 0.034 -14.629 -4.512 1.00 0.00 H new ATOM 0 HA MET A 77 0.099 -14.810 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.682 -13.542 -3.254 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.440 -12.337 -3.528 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.319 -13.041 -0.701 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.227 -11.888 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.410 -9.203 -2.538 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.947 -10.181 -3.145 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.725 -10.755 -3.351 1.00 0.00 H new ATOM 1165 N LEU A 78 -2.380 -13.005 -2.861 1.00 0.00 N ATOM 1166 CA LEU A 78 -3.608 -12.330 -2.477 1.00 0.00 C ATOM 1167 C LEU A 78 -4.659 -13.373 -2.089 1.00 0.00 C ATOM 1168 O LEU A 78 -5.568 -13.083 -1.313 1.00 0.00 O ATOM 1169 CB LEU A 78 -4.066 -11.378 -3.584 1.00 0.00 C ATOM 1170 CG LEU A 78 -3.725 -9.900 -3.381 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -3.996 -9.096 -4.654 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -4.467 -9.328 -2.172 1.00 0.00 C ATOM 0 H LEU A 78 -2.261 -13.134 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.440 -11.705 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.624 -11.707 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.147 -11.470 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.658 -9.820 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.746 -8.049 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.386 -9.487 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.050 -9.178 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.207 -8.276 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.542 -9.421 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.181 -9.879 -1.276 1.00 0.00 H new ATOM 1184 N ASP A 79 -4.499 -14.564 -2.647 1.00 0.00 N ATOM 1185 CA ASP A 79 -5.422 -15.650 -2.370 1.00 0.00 C ATOM 1186 C ASP A 79 -5.373 -15.987 -0.878 1.00 0.00 C ATOM 1187 O ASP A 79 -6.410 -16.186 -0.248 1.00 0.00 O ATOM 1188 CB ASP A 79 -5.042 -16.910 -3.152 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.498 -18.059 -2.301 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -5.205 -18.608 -1.442 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -3.277 -18.393 -2.551 1.00 0.00 O ATOM 0 H ASP A 79 -3.743 -14.800 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.420 -15.328 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.920 -17.262 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.293 -16.644 -3.898 1.00 0.00 H new ATOM 1197 N LEU A 80 -4.157 -16.041 -0.356 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.958 -16.350 1.050 1.00 0.00 C ATOM 1199 C LEU A 80 -4.039 -15.060 1.868 1.00 0.00 C ATOM 1200 O LEU A 80 -3.342 -14.911 2.870 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.653 -17.124 1.250 1.00 0.00 C ATOM 1202 CG LEU A 80 -2.697 -18.261 2.272 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -3.118 -17.745 3.650 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -3.599 -19.399 1.788 1.00 0.00 C ATOM 0 H LEU A 80 -3.299 -15.876 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.749 -17.007 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.348 -17.538 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.879 -16.419 1.553 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.691 -18.667 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.141 -18.574 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.404 -16.996 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.109 -17.297 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.613 -20.194 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.611 -19.023 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.216 -19.791 0.846 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.897 -14.160 1.411 1.00 0.00 N ATOM 1217 CA ALA A 81 -5.078 -12.886 2.087 1.00 0.00 C ATOM 1218 C ALA A 81 -6.302 -12.970 3.002 1.00 0.00 C ATOM 1219 O ALA A 81 -7.017 -13.971 2.999 1.00 0.00 O ATOM 1220 CB ALA A 81 -5.202 -11.769 1.050 1.00 0.00 C ATOM 0 H ALA A 81 -5.475 -14.288 0.580 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.214 -12.656 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.338 -10.814 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.296 -11.732 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.061 -11.963 0.407 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.505 -11.906 3.764 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.630 -11.846 4.682 1.00 0.00 C ATOM 1228 C TYR A 82 -8.783 -11.037 4.085 1.00 0.00 C ATOM 1229 O TYR A 82 -8.566 -9.975 3.504 1.00 0.00 O ATOM 1230 CB TYR A 82 -7.116 -11.131 5.933 1.00 0.00 C ATOM 1231 CG TYR A 82 -7.095 -12.008 7.187 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -8.269 -12.551 7.668 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -5.903 -12.255 7.837 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -8.250 -13.376 8.848 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -5.884 -13.080 9.017 1.00 0.00 C ATOM 1236 CZ TYR A 82 -7.058 -13.600 9.464 1.00 0.00 C ATOM 1237 OH TYR A 82 -7.040 -14.379 10.578 1.00 0.00 O ATOM 0 H TYR A 82 -5.909 -11.078 3.765 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.004 -12.847 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.107 -10.765 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.741 -10.258 6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.202 -12.357 7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.984 -11.830 7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.161 -13.807 9.235 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.958 -13.281 9.535 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.121 -14.453 10.911 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.985 -11.571 4.248 1.00 0.00 N ATOM 1248 CA GLY A 83 -11.173 -10.912 3.732 1.00 0.00 C ATOM 1249 C GLY A 83 -10.875 -10.203 2.409 1.00 0.00 C ATOM 1250 O GLY A 83 -11.128 -9.008 2.270 1.00 0.00 O ATOM 0 H GLY A 83 -10.162 -12.452 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.966 -11.646 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.539 -10.190 4.462 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.343 -10.972 1.469 1.00 0.00 N ATOM 1255 CA LEU A 84 -10.009 -10.433 0.162 1.00 0.00 C ATOM 1256 C LEU A 84 -11.077 -9.420 -0.255 1.00 0.00 C ATOM 1257 O LEU A 84 -12.139 -9.799 -0.745 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.807 -11.565 -0.848 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.365 -12.039 -1.044 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -8.317 -13.306 -1.900 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.494 -10.922 -1.622 1.00 0.00 C ATOM 0 H LEU A 84 -10.135 -11.964 1.587 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.060 -9.898 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.409 -12.417 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.196 -11.238 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.953 -12.294 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.281 -13.622 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.882 -14.098 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.754 -13.101 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.475 -11.285 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.894 -10.612 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.492 -10.072 -0.940 1.00 0.00 H new ATOM 1273 N THR A 85 -10.758 -8.152 -0.045 1.00 0.00 N ATOM 1274 CA THR A 85 -11.676 -7.081 -0.394 1.00 0.00 C ATOM 1275 C THR A 85 -11.839 -6.992 -1.913 1.00 0.00 C ATOM 1276 O THR A 85 -11.143 -7.680 -2.657 1.00 0.00 O ATOM 1277 CB THR A 85 -11.157 -5.788 0.238 1.00 0.00 C ATOM 1278 OG1 THR A 85 -9.895 -5.578 -0.387 1.00 0.00 O ATOM 1279 CG2 THR A 85 -10.815 -5.957 1.720 1.00 0.00 C ATOM 0 H THR A 85 -9.876 -7.842 0.363 1.00 0.00 H new ATOM 0 HA THR A 85 -12.675 -7.273 -0.002 1.00 0.00 H new ATOM 0 HB THR A 85 -11.905 -5.003 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.914 -4.736 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.451 -5.010 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.707 -6.263 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.043 -6.718 1.831 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.765 -6.138 -2.327 1.00 0.00 N ATOM 1288 CA ASP A 86 -13.029 -5.950 -3.743 1.00 0.00 C ATOM 1289 C ASP A 86 -12.084 -4.880 -4.296 1.00 0.00 C ATOM 1290 O ASP A 86 -12.267 -4.404 -5.415 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.465 -5.480 -3.978 1.00 0.00 C ATOM 1292 CG ASP A 86 -14.964 -5.617 -5.418 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.201 -5.979 -6.325 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -16.209 -5.332 -5.593 1.00 0.00 O ATOM 0 H ASP A 86 -13.341 -5.569 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.876 -6.906 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.128 -6.047 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.542 -4.434 -3.681 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.096 -4.534 -3.485 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.122 -3.529 -3.879 1.00 0.00 C ATOM 1302 C ARG A 87 -8.769 -3.816 -3.226 1.00 0.00 C ATOM 1303 O ARG A 87 -7.958 -2.910 -3.042 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.585 -2.127 -3.478 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.602 -1.968 -1.957 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.809 -1.146 -1.505 1.00 0.00 C ATOM 1307 NE ARG A 87 -13.051 -1.931 -1.681 1.00 0.00 N ATOM 1308 CZ ARG A 87 -14.178 -1.738 -0.962 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -14.228 -0.782 -0.011 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -15.230 -2.499 -1.204 1.00 0.00 N ATOM 0 H ARG A 87 -10.948 -4.931 -2.557 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.023 -3.571 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.922 -1.382 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.582 -1.942 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.630 -2.950 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.683 -1.482 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.694 -0.861 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.868 -0.223 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.056 -2.664 -2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.411 -0.199 0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.083 -0.643 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.183 -3.219 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.089 -2.366 -0.670 1.00 0.00 H new ATOM 1323 N SER A 88 -8.565 -5.084 -2.894 1.00 0.00 N ATOM 1324 CA SER A 88 -7.324 -5.502 -2.265 1.00 0.00 C ATOM 1325 C SER A 88 -6.181 -5.454 -3.282 1.00 0.00 C ATOM 1326 O SER A 88 -6.352 -5.851 -4.433 1.00 0.00 O ATOM 1327 CB SER A 88 -7.451 -6.908 -1.676 1.00 0.00 C ATOM 1328 OG SER A 88 -6.230 -7.356 -1.094 1.00 0.00 O ATOM 0 H SER A 88 -9.238 -5.834 -3.049 1.00 0.00 H new ATOM 0 HA SER A 88 -7.106 -4.814 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.237 -6.915 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.756 -7.603 -2.459 1.00 0.00 H new ATOM 0 HG SER A 88 -6.391 -8.181 -0.591 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.040 -4.964 -2.819 1.00 0.00 N ATOM 1335 CA ARG A 89 -3.869 -4.859 -3.673 1.00 0.00 C ATOM 1336 C ARG A 89 -2.592 -4.971 -2.838 1.00 0.00 C ATOM 1337 O ARG A 89 -2.653 -5.100 -1.617 1.00 0.00 O ATOM 1338 CB ARG A 89 -3.860 -3.531 -4.433 1.00 0.00 C ATOM 1339 CG ARG A 89 -4.333 -3.722 -5.875 1.00 0.00 C ATOM 1340 CD ARG A 89 -3.194 -4.225 -6.765 1.00 0.00 C ATOM 1341 NE ARG A 89 -2.274 -3.111 -7.086 1.00 0.00 N ATOM 1342 CZ ARG A 89 -1.282 -3.189 -7.998 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -1.073 -4.331 -8.688 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -0.519 -2.132 -8.207 1.00 0.00 N ATOM 0 H ARG A 89 -4.902 -4.635 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.908 -5.676 -4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.506 -2.814 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.854 -3.112 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.159 -4.433 -5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.714 -2.778 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.650 -5.022 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.599 -4.649 -7.684 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.397 -2.230 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.667 -5.143 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.321 -4.381 -9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.683 -1.273 -7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.235 -2.175 -8.893 1.00 0.00 H new ATOM 1357 N LEU A 90 -1.464 -4.918 -3.532 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.174 -5.011 -2.869 1.00 0.00 C ATOM 1359 C LEU A 90 0.485 -3.630 -2.849 1.00 0.00 C ATOM 1360 O LEU A 90 0.239 -2.807 -3.729 1.00 0.00 O ATOM 1361 CB LEU A 90 0.687 -6.093 -3.525 1.00 0.00 C ATOM 1362 CG LEU A 90 1.990 -6.442 -2.802 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.890 -7.808 -2.120 1.00 0.00 C ATOM 1364 CD2 LEU A 90 3.184 -6.364 -3.756 1.00 0.00 C ATOM 0 H LEU A 90 -1.417 -4.812 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.300 -5.320 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.090 -7.000 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.931 -5.771 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 90 2.155 -5.702 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.829 -8.032 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.080 -7.792 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.690 -8.575 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.097 -6.616 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.041 -7.067 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.266 -5.353 -4.155 1.00 0.00 H new ATOM 1376 N GLY A 91 1.310 -3.420 -1.834 1.00 0.00 N ATOM 1377 CA GLY A 91 2.007 -2.153 -1.687 1.00 0.00 C ATOM 1378 C GLY A 91 3.348 -2.343 -0.975 1.00 0.00 C ATOM 1379 O GLY A 91 3.677 -1.598 -0.054 1.00 0.00 O ATOM 0 H GLY A 91 1.512 -4.105 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.172 -1.709 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.387 -1.456 -1.122 1.00 0.00 H new ATOM 1383 N CYS A 92 4.086 -3.346 -1.429 1.00 0.00 N ATOM 1384 CA CYS A 92 5.382 -3.644 -0.847 1.00 0.00 C ATOM 1385 C CYS A 92 6.461 -3.310 -1.880 1.00 0.00 C ATOM 1386 O CYS A 92 7.579 -2.944 -1.520 1.00 0.00 O ATOM 1387 CB CYS A 92 5.472 -5.098 -0.377 1.00 0.00 C ATOM 1388 SG CYS A 92 5.747 -6.202 -1.810 1.00 0.00 S ATOM 0 H CYS A 92 3.810 -3.962 -2.194 1.00 0.00 H new ATOM 0 HA CYS A 92 5.532 -3.034 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 92 6.287 -5.208 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 92 4.554 -5.380 0.139 1.00 0.00 H new ATOM 0 HG CYS A 92 4.995 -7.256 -1.696 1.00 0.00 H new ATOM 1394 N GLN A 93 6.087 -3.449 -3.144 1.00 0.00 N ATOM 1395 CA GLN A 93 7.008 -3.168 -4.231 1.00 0.00 C ATOM 1396 C GLN A 93 6.452 -2.057 -5.124 1.00 0.00 C ATOM 1397 O GLN A 93 5.992 -1.030 -4.628 1.00 0.00 O ATOM 1398 CB GLN A 93 7.299 -4.431 -5.045 1.00 0.00 C ATOM 1399 CG GLN A 93 6.020 -4.979 -5.682 1.00 0.00 C ATOM 1400 CD GLN A 93 5.776 -6.429 -5.260 1.00 0.00 C ATOM 1401 OE1 GLN A 93 6.480 -6.991 -4.437 1.00 0.00 O ATOM 1402 NE2 GLN A 93 4.741 -7.002 -5.869 1.00 0.00 N ATOM 0 H GLN A 93 5.159 -3.752 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 93 7.950 -2.827 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.030 -4.207 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.742 -5.190 -4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.170 -4.363 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.096 -4.920 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.193 -6.474 -6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.496 -7.969 -5.656 1.00 0.00 H new ATOM 1411 N ILE A 94 6.512 -2.301 -6.425 1.00 0.00 N ATOM 1412 CA ILE A 94 6.019 -1.334 -7.391 1.00 0.00 C ATOM 1413 C ILE A 94 6.550 0.055 -7.032 1.00 0.00 C ATOM 1414 O ILE A 94 7.511 0.179 -6.273 1.00 0.00 O ATOM 1415 CB ILE A 94 4.493 -1.402 -7.488 1.00 0.00 C ATOM 1416 CG1 ILE A 94 3.837 -0.824 -6.232 1.00 0.00 C ATOM 1417 CG2 ILE A 94 4.026 -2.831 -7.773 1.00 0.00 C ATOM 1418 CD1 ILE A 94 2.407 -0.366 -6.522 1.00 0.00 C ATOM 0 H ILE A 94 6.894 -3.154 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 94 6.390 -1.570 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 94 4.176 -0.785 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.829 -1.576 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.425 0.017 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.938 -2.852 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.452 -3.172 -8.717 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.355 -3.489 -6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.964 0.041 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.421 0.403 -7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.816 -1.215 -6.866 1.00 0.00 H new ATOM 1430 N CYS A 95 5.903 1.065 -7.594 1.00 0.00 N ATOM 1431 CA CYS A 95 6.298 2.440 -7.343 1.00 0.00 C ATOM 1432 C CYS A 95 5.033 3.296 -7.254 1.00 0.00 C ATOM 1433 O CYS A 95 4.071 3.065 -7.987 1.00 0.00 O ATOM 1434 CB CYS A 95 7.262 2.956 -8.413 1.00 0.00 C ATOM 1435 SG CYS A 95 6.653 2.499 -10.077 1.00 0.00 S ATOM 0 H CYS A 95 5.107 0.958 -8.223 1.00 0.00 H new ATOM 0 HA CYS A 95 6.841 2.498 -6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.357 4.039 -8.336 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.255 2.536 -8.252 1.00 0.00 H new ATOM 0 HG CYS A 95 7.478 2.944 -10.978 1.00 0.00 H new ATOM 1441 N LEU A 96 5.073 4.265 -6.352 1.00 0.00 N ATOM 1442 CA LEU A 96 3.943 5.155 -6.159 1.00 0.00 C ATOM 1443 C LEU A 96 3.643 5.885 -7.471 1.00 0.00 C ATOM 1444 O LEU A 96 4.467 5.891 -8.384 1.00 0.00 O ATOM 1445 CB LEU A 96 4.195 6.094 -4.977 1.00 0.00 C ATOM 1446 CG LEU A 96 3.895 5.520 -3.590 1.00 0.00 C ATOM 1447 CD1 LEU A 96 4.098 6.580 -2.505 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.494 4.910 -3.540 1.00 0.00 C ATOM 0 H LEU A 96 5.872 4.453 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 96 3.051 4.585 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.239 6.405 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.592 6.991 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 96 4.603 4.715 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.879 6.148 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.131 6.927 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.429 7.421 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.307 4.510 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.755 5.678 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.420 4.107 -4.273 1.00 0.00 H new ATOM 1460 N THR A 97 2.462 6.483 -7.521 1.00 0.00 N ATOM 1461 CA THR A 97 2.044 7.215 -8.705 1.00 0.00 C ATOM 1462 C THR A 97 1.258 8.466 -8.310 1.00 0.00 C ATOM 1463 O THR A 97 0.652 8.511 -7.240 1.00 0.00 O ATOM 1464 CB THR A 97 1.252 6.256 -9.597 1.00 0.00 C ATOM 1465 OG1 THR A 97 0.280 5.690 -8.722 1.00 0.00 O ATOM 1466 CG2 THR A 97 2.085 5.057 -10.054 1.00 0.00 C ATOM 0 H THR A 97 1.781 6.476 -6.761 1.00 0.00 H new ATOM 0 HA THR A 97 2.903 7.576 -9.271 1.00 0.00 H new ATOM 0 HB THR A 97 0.883 6.795 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.611 6.017 -8.967 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.475 4.409 -10.684 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.947 5.408 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.427 4.499 -9.183 1.00 0.00 H new ATOM 1474 N LYS A 98 1.293 9.452 -9.194 1.00 0.00 N ATOM 1475 CA LYS A 98 0.592 10.701 -8.951 1.00 0.00 C ATOM 1476 C LYS A 98 -0.873 10.404 -8.629 1.00 0.00 C ATOM 1477 O LYS A 98 -1.493 11.107 -7.832 1.00 0.00 O ATOM 1478 CB LYS A 98 0.781 11.660 -10.128 1.00 0.00 C ATOM 1479 CG LYS A 98 2.136 12.366 -10.048 1.00 0.00 C ATOM 1480 CD LYS A 98 2.017 13.829 -10.482 1.00 0.00 C ATOM 1481 CE LYS A 98 3.024 14.705 -9.735 1.00 0.00 C ATOM 0 H LYS A 98 1.796 9.411 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 98 1.012 11.211 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.709 11.109 -11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.019 12.400 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.517 12.315 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.857 11.852 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.186 13.909 -11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.006 14.188 -10.291 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.387 9.360 -9.264 1.00 0.00 N ATOM 1496 CA ALA A 99 -2.767 8.961 -9.054 1.00 0.00 C ATOM 1497 C ALA A 99 -2.990 8.669 -7.569 1.00 0.00 C ATOM 1498 O ALA A 99 -4.125 8.678 -7.095 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.090 7.756 -9.940 1.00 0.00 C ATOM 0 H ALA A 99 -0.871 8.779 -9.924 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.446 9.766 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.126 7.456 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.945 8.024 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.429 6.928 -9.683 1.00 0.00 H new ATOM 1505 N MET A 100 -1.889 8.418 -6.876 1.00 0.00 N ATOM 1506 CA MET A 100 -1.950 8.124 -5.454 1.00 0.00 C ATOM 1507 C MET A 100 -1.761 9.394 -4.624 1.00 0.00 C ATOM 1508 O MET A 100 -1.318 9.332 -3.478 1.00 0.00 O ATOM 1509 CB MET A 100 -0.860 7.112 -5.096 1.00 0.00 C ATOM 1510 CG MET A 100 -1.046 5.808 -5.873 1.00 0.00 C ATOM 1511 SD MET A 100 -2.648 5.107 -5.516 1.00 0.00 S ATOM 1512 CE MET A 100 -3.405 5.227 -7.128 1.00 0.00 C ATOM 0 H MET A 100 -0.949 8.412 -7.273 1.00 0.00 H new ATOM 0 HA MET A 100 -2.932 7.709 -5.229 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.120 7.534 -5.317 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.885 6.908 -4.025 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.953 5.996 -6.943 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.262 5.100 -5.604 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.032 4.352 -7.302 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.017 6.127 -7.176 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.629 5.275 -7.892 1.00 0.00 H new ATOM 1522 N ASP A 101 -2.106 10.520 -5.234 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.979 11.803 -4.565 1.00 0.00 C ATOM 1524 C ASP A 101 -3.032 11.903 -3.460 1.00 0.00 C ATOM 1525 O ASP A 101 -4.149 12.359 -3.700 1.00 0.00 O ATOM 1526 CB ASP A 101 -2.209 12.958 -5.542 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.522 12.893 -6.323 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -4.297 13.861 -6.350 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -3.741 11.777 -6.931 1.00 0.00 O ATOM 0 H ASP A 101 -2.473 10.569 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.971 11.872 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.181 13.895 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.382 12.983 -6.252 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.640 11.469 -2.271 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.536 11.503 -1.128 1.00 0.00 C ATOM 1537 C ASN A 102 -4.298 10.179 -1.043 1.00 0.00 C ATOM 1538 O ASN A 102 -5.392 10.124 -0.482 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.561 12.631 -1.266 1.00 0.00 C ATOM 1540 CG ASN A 102 -5.842 12.129 -1.935 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -5.842 11.176 -2.697 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -6.930 12.820 -1.609 1.00 0.00 N ATOM 0 H ASN A 102 -1.713 11.092 -2.075 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.936 11.668 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -4.795 13.037 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -4.135 13.445 -1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -7.835 12.563 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.860 13.608 -0.965 1.00 0.00 H new ATOM 1549 N MET A 103 -3.691 9.145 -1.607 1.00 0.00 N ATOM 1550 CA MET A 103 -4.298 7.826 -1.602 1.00 0.00 C ATOM 1551 C MET A 103 -4.426 7.287 -0.175 1.00 0.00 C ATOM 1552 O MET A 103 -3.684 7.698 0.716 1.00 0.00 O ATOM 1553 CB MET A 103 -3.446 6.868 -2.436 1.00 0.00 C ATOM 1554 CG MET A 103 -2.174 6.469 -1.684 1.00 0.00 C ATOM 1555 SD MET A 103 -1.902 4.712 -1.832 1.00 0.00 S ATOM 1556 CE MET A 103 -0.218 4.708 -2.425 1.00 0.00 C ATOM 0 H MET A 103 -2.784 9.195 -2.071 1.00 0.00 H new ATOM 0 HA MET A 103 -5.297 7.904 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.025 5.977 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.181 7.341 -3.382 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.319 7.013 -2.086 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.262 6.744 -0.633 1.00 0.00 H new ATOM 0 HE1 MET A 103 0.375 4.012 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.201 4.400 -3.470 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.202 5.710 -2.335 1.00 0.00 H new ATOM 1566 N THR A 104 -5.372 6.375 -0.004 1.00 0.00 N ATOM 1567 CA THR A 104 -5.606 5.776 1.299 1.00 0.00 C ATOM 1568 C THR A 104 -5.558 4.249 1.199 1.00 0.00 C ATOM 1569 O THR A 104 -5.995 3.674 0.204 1.00 0.00 O ATOM 1570 CB THR A 104 -6.937 6.309 1.832 1.00 0.00 C ATOM 1571 OG1 THR A 104 -6.690 7.694 2.060 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.275 5.758 3.219 1.00 0.00 C ATOM 0 H THR A 104 -5.985 6.037 -0.746 1.00 0.00 H new ATOM 0 HA THR A 104 -4.824 6.049 2.007 1.00 0.00 H new ATOM 0 HB THR A 104 -7.735 6.053 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.503 8.119 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.229 6.168 3.551 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.343 4.671 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.494 6.042 3.924 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.024 3.637 2.246 1.00 0.00 N ATOM 1581 CA VAL A 105 -4.914 2.189 2.289 1.00 0.00 C ATOM 1582 C VAL A 105 -5.212 1.701 3.709 1.00 0.00 C ATOM 1583 O VAL A 105 -5.044 2.446 4.673 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.537 1.753 1.785 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.151 2.519 0.517 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.475 1.923 2.873 1.00 0.00 C ATOM 0 H VAL A 105 -4.663 4.117 3.070 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.648 1.731 1.626 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.592 0.694 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.168 2.191 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.887 2.325 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.123 3.587 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.506 1.606 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.422 2.971 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.739 1.314 3.738 1.00 0.00 H new ATOM 1596 N ARG A 106 -5.648 0.453 3.792 1.00 0.00 N ATOM 1597 CA ARG A 106 -5.972 -0.143 5.078 1.00 0.00 C ATOM 1598 C ARG A 106 -5.107 -1.380 5.321 1.00 0.00 C ATOM 1599 O ARG A 106 -4.689 -2.047 4.375 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.448 -0.539 5.146 1.00 0.00 C ATOM 1601 CG ARG A 106 -7.807 -1.080 6.531 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.295 -0.886 6.827 1.00 0.00 C ATOM 1603 NE ARG A 106 -9.552 -1.065 8.273 1.00 0.00 N ATOM 1604 CZ ARG A 106 -9.644 -2.266 8.883 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -9.501 -3.406 8.175 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -9.876 -2.308 10.182 1.00 0.00 N ATOM 0 H ARG A 106 -5.785 -0.162 2.990 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.773 0.602 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.071 0.325 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.661 -1.295 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.557 -2.139 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.212 -0.571 7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.609 0.110 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.884 -1.601 6.253 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.667 -0.228 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.322 -3.364 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.572 -4.309 8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.983 -1.441 10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.948 -3.207 10.658 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.863 -1.651 6.595 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.055 -2.797 6.975 1.00 0.00 C ATOM 1621 C VAL A 107 -4.937 -3.825 7.685 1.00 0.00 C ATOM 1622 O VAL A 107 -5.172 -3.723 8.888 1.00 0.00 O ATOM 1623 CB VAL A 107 -2.867 -2.341 7.825 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.062 -3.540 8.331 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -1.975 -1.372 7.047 1.00 0.00 C ATOM 0 H VAL A 107 -5.211 -1.096 7.377 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.639 -3.280 6.091 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.261 -1.811 8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.224 -3.188 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.703 -4.178 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.685 -4.110 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.139 -1.064 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.595 -1.866 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.555 -0.495 6.759 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.415 -4.820 6.889 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.267 -5.865 7.428 1.00 0.00 C ATOM 1637 C PRO A 108 -5.453 -6.867 8.249 1.00 0.00 C ATOM 1638 O PRO A 108 -4.303 -6.602 8.594 1.00 0.00 O ATOM 1639 CB PRO A 108 -6.934 -6.494 6.215 1.00 0.00 C ATOM 1640 CG PRO A 108 -6.086 -6.093 5.019 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.158 -4.973 5.460 1.00 0.00 C ATOM 0 HA PRO A 108 -7.014 -5.482 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.982 -7.578 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -7.958 -6.139 6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.511 -6.945 4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.719 -5.762 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.115 -5.225 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.366 -4.050 4.919 1.00 0.00 H new