USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 841 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 71 MET CE :methyl -115:sc= -1.85 (180deg=-4.41!) USER MOD Set 1.2: A 74 GLN : amide:sc= -4.76! K(o=-6.6!,f=-3.3) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -1.38 X(o=-2.1,f=-2.1) USER MOD Set 2.2: A 52 GLN : amide:sc= -0.765 K(o=-2.1,f=-6.5!) USER MOD Set 3.1: A 37 MET CE :methyl -161:sc= -0.317 (180deg=-1.84) USER MOD Set 3.2: A 46 MET CE :methyl 163:sc= -3.71! (180deg=-3.28) USER MOD Set 4.1: A 35 GLN : amide:sc= -10.6! C(o=-15!,f=-5.9!) USER MOD Set 4.2: A 83 GLN : amide:sc= -4.4! K(o=-15!,f=-6.6) USER MOD Set 5.1: A 25 MET CE :methyl -153:sc= -0.723 (180deg=-1.42!) USER MOD Set 5.2: A 28 GLN : amide:sc= -5.73! C(o=-21!,f=-16!) USER MOD Set 5.3: A 29 MET CE :methyl -121:sc= -1.85! (180deg=-3.43!) USER MOD Set 5.4: A 73 GLN : amide:sc= -0.604 K(o=-21,f=-15) USER MOD Set 5.5: A 78 GLN : amide:sc= -7.25! K(o=-21!,f=-15) USER MOD Set 5.6: A 87 MET CE :methyl -122:sc= -5.24! (180deg=-6.54!) USER MOD Set 6.1: A 15 GLN : amide:sc= -7.4 K(o=-10,f=-19!) USER MOD Set 6.2: A 56 MET CE :methyl 137:sc= -2.84 (180deg=-0.84) USER MOD Set 7.1: A 12 MET CE :methyl 159:sc= -2.55 (180deg=-4.26!) USER MOD Set 7.2: A 68 MET CE :methyl -162:sc= -1.62 (180deg=-2.49!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -4.38! C(o=-4.4!,f=-1.1!) USER MOD Single : A 13 GLN : amide:sc= -3.96! C(o=-4!,f=-5!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 17 MET CE :methyl -109:sc= -5.83! (180deg=-12.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -157:sc= -0.145 (180deg=-1.06) USER MOD Single : A 24 TYR OH : rot -166:sc= 0.556 USER MOD Single : A 27 GLN : amide:sc= -8.98! C(o=-9!,f=-2.6!) USER MOD Single : A 32 SER OG : rot -93:sc= 0.0917 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 34 TYR OH : rot 114:sc= 0.466 USER MOD Single : A 36 THR OG1 : rot 52:sc= 0.385 USER MOD Single : A 42 MET CE :methyl -159:sc= -0.28 (180deg=-1.35!) USER MOD Single : A 45 HIS : no HE2:sc= -0.534 K(o=-0.53,f=-1.5) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00332 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -168:sc= -0.941 (180deg=-1.3!) USER MOD Single : A 69 MET CE :methyl 125:sc= -0.0657 (180deg=-0.743) USER MOD Single : A 72 MET CE :methyl -159:sc= -2.77 (180deg=-3.89!) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.011 (180deg=-0.22) USER MOD Single : A 77 MET CE :methyl -146:sc= -0.477 (180deg=-1.17) USER MOD Single : A 84 MET CE :methyl -112:sc= -2.7 (180deg=-9.08!) USER MOD Single : A 88 MET CE :methyl -153:sc= -0.33 (180deg=-2.01!) USER MOD Single : A 93 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.91) USER MOD Single : A 96 SER OG : rot 64:sc= 0.721 USER MOD Single : A 99 ASN : amide:sc= -4.93! C(o=-4.9!,f=-7.5!) USER MOD Single : A 101 SER OG : rot 45:sc= 0.499 USER MOD Single : A 103 MET CE :methyl -156:sc= -0.198 (180deg=-1.02) USER MOD Single : A 107 MET CE :methyl -159:sc= -1.38 (180deg=-3.12!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -0.325 45.681 -9.569 1.00 0.00 N ATOM 19 CA ALA A 2 -1.360 46.340 -10.359 1.00 0.00 C ATOM 20 C ALA A 2 -2.721 46.200 -9.683 1.00 0.00 C ATOM 21 O ALA A 2 -3.054 45.142 -9.148 1.00 0.00 O ATOM 22 CB ALA A 2 -1.418 45.728 -11.760 1.00 0.00 C ATOM 0 HA ALA A 2 -1.113 47.399 -10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.193 46.226 -12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.455 45.856 -12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.648 44.665 -11.684 1.00 0.00 H new ATOM 28 N GLU A 3 -3.501 47.276 -9.717 1.00 0.00 N ATOM 29 CA GLU A 3 -4.829 47.275 -9.109 1.00 0.00 C ATOM 30 C GLU A 3 -5.743 46.263 -9.796 1.00 0.00 C ATOM 31 O GLU A 3 -6.758 45.852 -9.233 1.00 0.00 O ATOM 32 CB GLU A 3 -5.450 48.676 -9.198 1.00 0.00 C ATOM 33 CG GLU A 3 -5.858 48.992 -10.644 1.00 0.00 C ATOM 34 CD GLU A 3 -4.640 48.948 -11.566 1.00 0.00 C ATOM 35 OE1 GLU A 3 -3.700 49.684 -11.313 1.00 0.00 O ATOM 36 OE2 GLU A 3 -4.664 48.176 -12.512 1.00 0.00 O ATOM 0 H GLU A 3 -3.238 48.158 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.723 46.991 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.322 48.736 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.736 49.420 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.604 48.273 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.321 49.978 -10.690 1.00 0.00 H new ATOM 43 N ALA A 4 -5.379 45.872 -11.016 1.00 0.00 N ATOM 44 CA ALA A 4 -6.176 44.915 -11.779 1.00 0.00 C ATOM 45 C ALA A 4 -6.306 43.598 -11.034 1.00 0.00 C ATOM 46 O ALA A 4 -7.189 42.792 -11.325 1.00 0.00 O ATOM 47 CB ALA A 4 -5.547 44.679 -13.154 1.00 0.00 C ATOM 0 H ALA A 4 -4.541 46.202 -11.495 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.174 45.334 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.151 43.964 -13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.503 45.621 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.539 44.284 -13.030 1.00 0.00 H new ATOM 53 N GLN A 5 -5.437 43.404 -10.057 1.00 0.00 N ATOM 54 CA GLN A 5 -5.466 42.201 -9.242 1.00 0.00 C ATOM 55 C GLN A 5 -6.872 41.975 -8.693 1.00 0.00 C ATOM 56 O GLN A 5 -7.314 40.838 -8.530 1.00 0.00 O ATOM 57 CB GLN A 5 -4.486 42.375 -8.090 1.00 0.00 C ATOM 58 CG GLN A 5 -4.485 41.122 -7.209 1.00 0.00 C ATOM 59 CD GLN A 5 -3.473 41.276 -6.079 1.00 0.00 C ATOM 60 OE1 GLN A 5 -2.284 41.015 -6.268 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.873 41.686 -4.906 1.00 0.00 N ATOM 0 H GLN A 5 -4.701 44.065 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.186 41.338 -9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.484 42.557 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.761 43.247 -7.496 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.480 40.958 -6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.240 40.246 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.858 41.902 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.201 41.790 -4.146 1.00 0.00 H new ATOM 70 N GLU A 6 -7.564 43.078 -8.412 1.00 0.00 N ATOM 71 CA GLU A 6 -8.923 43.020 -7.881 1.00 0.00 C ATOM 72 C GLU A 6 -9.814 42.130 -8.747 1.00 0.00 C ATOM 73 O GLU A 6 -10.740 41.495 -8.243 1.00 0.00 O ATOM 74 CB GLU A 6 -9.513 44.433 -7.819 1.00 0.00 C ATOM 75 CG GLU A 6 -9.561 45.042 -9.228 1.00 0.00 C ATOM 76 CD GLU A 6 -11.008 45.147 -9.706 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.685 46.068 -9.282 1.00 0.00 O ATOM 78 OE2 GLU A 6 -11.416 44.302 -10.486 1.00 0.00 O ATOM 0 H GLU A 6 -7.204 44.023 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.881 42.593 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.516 44.399 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.909 45.060 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.099 46.029 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.986 44.426 -9.919 1.00 0.00 H new ATOM 85 N GLU A 7 -9.521 42.080 -10.047 1.00 0.00 N ATOM 86 CA GLU A 7 -10.293 41.254 -10.965 1.00 0.00 C ATOM 87 C GLU A 7 -10.345 39.830 -10.444 1.00 0.00 C ATOM 88 O GLU A 7 -11.377 39.162 -10.518 1.00 0.00 O ATOM 89 CB GLU A 7 -9.652 41.274 -12.357 1.00 0.00 C ATOM 90 CG GLU A 7 -10.344 40.250 -13.266 1.00 0.00 C ATOM 91 CD GLU A 7 -9.580 38.928 -13.242 1.00 0.00 C ATOM 92 OE1 GLU A 7 -8.431 38.921 -13.656 1.00 0.00 O ATOM 93 OE2 GLU A 7 -10.154 37.941 -12.813 1.00 0.00 O ATOM 0 H GLU A 7 -8.759 42.600 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.306 41.651 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.733 42.271 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.589 41.045 -12.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.370 40.092 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.394 40.632 -14.286 1.00 0.00 H new ATOM 100 N CYS A 8 -9.214 39.376 -9.913 1.00 0.00 N ATOM 101 CA CYS A 8 -9.130 38.032 -9.377 1.00 0.00 C ATOM 102 C CYS A 8 -10.012 37.905 -8.141 1.00 0.00 C ATOM 103 O CYS A 8 -10.815 36.978 -8.031 1.00 0.00 O ATOM 104 CB CYS A 8 -7.680 37.697 -9.017 1.00 0.00 C ATOM 105 SG CYS A 8 -6.618 37.965 -10.458 1.00 0.00 S ATOM 0 H CYS A 8 -8.352 39.918 -9.845 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.478 37.331 -10.136 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.348 38.320 -8.187 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.607 36.661 -8.687 1.00 0.00 H new ATOM 110 N ARG A 9 -9.858 38.851 -7.216 1.00 0.00 N ATOM 111 CA ARG A 9 -10.650 38.849 -5.989 1.00 0.00 C ATOM 112 C ARG A 9 -12.142 38.865 -6.315 1.00 0.00 C ATOM 113 O ARG A 9 -12.923 38.112 -5.734 1.00 0.00 O ATOM 114 CB ARG A 9 -10.295 40.072 -5.138 1.00 0.00 C ATOM 115 CG ARG A 9 -11.018 39.993 -3.789 1.00 0.00 C ATOM 116 CD ARG A 9 -10.701 41.243 -2.963 1.00 0.00 C ATOM 117 NE ARG A 9 -11.296 41.135 -1.633 1.00 0.00 N ATOM 118 CZ ARG A 9 -10.707 40.438 -0.662 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.572 39.831 -0.884 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.265 40.364 0.514 1.00 0.00 N ATOM 0 H ARG A 9 -9.196 39.624 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.423 37.941 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.217 40.117 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.580 40.985 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.094 39.911 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.706 39.099 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.621 41.367 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.084 42.129 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.182 41.604 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.134 39.890 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.124 39.298 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.150 40.839 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.816 39.831 1.259 1.00 0.00 H new ATOM 134 N GLU A 10 -12.526 39.726 -7.255 1.00 0.00 N ATOM 135 CA GLU A 10 -13.924 39.831 -7.662 1.00 0.00 C ATOM 136 C GLU A 10 -14.412 38.509 -8.249 1.00 0.00 C ATOM 137 O GLU A 10 -15.445 37.976 -7.841 1.00 0.00 O ATOM 138 CB GLU A 10 -14.075 40.945 -8.704 1.00 0.00 C ATOM 139 CG GLU A 10 -15.529 41.014 -9.185 1.00 0.00 C ATOM 140 CD GLU A 10 -15.713 40.152 -10.434 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.040 40.415 -11.419 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.520 39.238 -10.386 1.00 0.00 O ATOM 0 H GLU A 10 -11.893 40.357 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.526 40.067 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.780 41.901 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.412 40.758 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.198 40.671 -8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.799 42.047 -9.404 1.00 0.00 H new ATOM 149 N GLN A 11 -13.655 37.991 -9.211 1.00 0.00 N ATOM 150 CA GLN A 11 -14.000 36.732 -9.863 1.00 0.00 C ATOM 151 C GLN A 11 -14.071 35.592 -8.847 1.00 0.00 C ATOM 152 O GLN A 11 -14.802 34.623 -9.044 1.00 0.00 O ATOM 153 CB GLN A 11 -12.963 36.400 -10.941 1.00 0.00 C ATOM 154 CG GLN A 11 -13.500 35.285 -11.846 1.00 0.00 C ATOM 155 CD GLN A 11 -12.453 34.891 -12.885 1.00 0.00 C ATOM 156 OE1 GLN A 11 -11.392 35.508 -12.972 1.00 0.00 O ATOM 157 NE2 GLN A 11 -12.694 33.890 -13.688 1.00 0.00 N ATOM 0 H GLN A 11 -12.798 38.424 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.981 36.845 -10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.742 37.288 -11.533 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.028 36.086 -10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.768 34.417 -11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.409 35.620 -12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.574 33.379 -13.616 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.003 33.619 -14.387 1.00 0.00 H new ATOM 166 N MET A 12 -13.289 35.708 -7.774 1.00 0.00 N ATOM 167 CA MET A 12 -13.247 34.673 -6.740 1.00 0.00 C ATOM 168 C MET A 12 -14.649 34.207 -6.349 1.00 0.00 C ATOM 169 O MET A 12 -14.863 33.017 -6.112 1.00 0.00 O ATOM 170 CB MET A 12 -12.519 35.199 -5.499 1.00 0.00 C ATOM 171 CG MET A 12 -12.329 34.060 -4.494 1.00 0.00 C ATOM 172 SD MET A 12 -11.263 32.789 -5.219 1.00 0.00 S ATOM 173 CE MET A 12 -10.059 32.701 -3.872 1.00 0.00 C ATOM 0 H MET A 12 -12.678 36.505 -7.598 1.00 0.00 H new ATOM 0 HA MET A 12 -12.708 33.820 -7.151 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.551 35.614 -5.781 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.092 36.007 -5.044 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.885 34.442 -3.575 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.295 33.631 -4.227 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.531 31.749 -3.918 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.344 33.518 -3.970 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.576 32.784 -2.916 1.00 0.00 H new ATOM 183 N GLN A 13 -15.602 35.135 -6.284 1.00 0.00 N ATOM 184 CA GLN A 13 -16.969 34.768 -5.923 1.00 0.00 C ATOM 185 C GLN A 13 -17.486 33.701 -6.882 1.00 0.00 C ATOM 186 O GLN A 13 -18.100 32.721 -6.463 1.00 0.00 O ATOM 187 CB GLN A 13 -17.890 35.992 -5.973 1.00 0.00 C ATOM 188 CG GLN A 13 -17.631 36.899 -4.762 1.00 0.00 C ATOM 189 CD GLN A 13 -16.177 37.363 -4.731 1.00 0.00 C ATOM 190 OE1 GLN A 13 -15.315 36.676 -4.182 1.00 0.00 O ATOM 191 NE2 GLN A 13 -15.852 38.498 -5.287 1.00 0.00 N ATOM 0 H GLN A 13 -15.458 36.127 -6.472 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.964 34.376 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.720 36.547 -6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.932 35.672 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.292 37.764 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.865 36.362 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.567 39.066 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.883 38.817 -5.267 1.00 0.00 H new ATOM 200 N ARG A 14 -17.195 33.888 -8.167 1.00 0.00 N ATOM 201 CA ARG A 14 -17.581 32.938 -9.185 1.00 0.00 C ATOM 202 C ARG A 14 -16.979 31.598 -8.839 1.00 0.00 C ATOM 203 O ARG A 14 -17.620 30.555 -8.972 1.00 0.00 O ATOM 204 CB ARG A 14 -17.066 33.410 -10.545 1.00 0.00 C ATOM 205 CG ARG A 14 -17.656 32.543 -11.655 1.00 0.00 C ATOM 206 CD ARG A 14 -17.175 33.072 -13.005 1.00 0.00 C ATOM 207 NE ARG A 14 -15.782 32.693 -13.233 1.00 0.00 N ATOM 208 CZ ARG A 14 -15.453 31.481 -13.676 1.00 0.00 C ATOM 209 NH1 ARG A 14 -16.381 30.592 -13.911 1.00 0.00 N ATOM 210 NH2 ARG A 14 -14.200 31.177 -13.872 1.00 0.00 N ATOM 0 H ARG A 14 -16.688 34.699 -8.521 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.667 32.853 -9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.338 34.454 -10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.978 33.356 -10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.349 31.505 -11.526 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.745 32.562 -11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.802 32.674 -13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.273 34.157 -13.033 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.044 33.373 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.362 30.825 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.125 29.665 -14.250 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.473 31.867 -13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.947 30.249 -14.211 1.00 0.00 H new ATOM 224 N GLN A 15 -15.728 31.646 -8.378 1.00 0.00 N ATOM 225 CA GLN A 15 -15.038 30.441 -7.995 1.00 0.00 C ATOM 226 C GLN A 15 -15.586 29.945 -6.670 1.00 0.00 C ATOM 227 O GLN A 15 -14.956 30.088 -5.620 1.00 0.00 O ATOM 228 CB GLN A 15 -13.534 30.702 -7.880 1.00 0.00 C ATOM 229 CG GLN A 15 -12.891 30.617 -9.267 1.00 0.00 C ATOM 230 CD GLN A 15 -13.247 31.856 -10.079 1.00 0.00 C ATOM 231 OE1 GLN A 15 -12.843 32.962 -9.730 1.00 0.00 O ATOM 232 NE2 GLN A 15 -13.985 31.735 -11.147 1.00 0.00 N ATOM 0 H GLN A 15 -15.187 32.504 -8.266 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.197 29.680 -8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.358 31.686 -7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.078 29.972 -7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.808 30.533 -9.171 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.236 29.721 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.319 30.815 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.228 32.560 -11.695 1.00 0.00 H new ATOM 241 N GLN A 16 -16.762 29.351 -6.742 1.00 0.00 N ATOM 242 CA GLN A 16 -17.419 28.807 -5.562 1.00 0.00 C ATOM 243 C GLN A 16 -16.871 27.415 -5.266 1.00 0.00 C ATOM 244 O GLN A 16 -17.607 26.501 -4.890 1.00 0.00 O ATOM 245 CB GLN A 16 -18.932 28.762 -5.790 1.00 0.00 C ATOM 246 CG GLN A 16 -19.437 30.190 -6.016 1.00 0.00 C ATOM 247 CD GLN A 16 -20.944 30.208 -6.250 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.565 29.158 -6.423 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.570 31.354 -6.271 1.00 0.00 N ATOM 0 H GLN A 16 -17.287 29.231 -7.609 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.219 29.446 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.166 28.138 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.431 28.317 -4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.193 30.807 -5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.927 30.628 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.052 32.221 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.577 31.382 -6.431 1.00 0.00 H new ATOM 258 N MET A 17 -15.561 27.273 -5.458 1.00 0.00 N ATOM 259 CA MET A 17 -14.878 26.002 -5.233 1.00 0.00 C ATOM 260 C MET A 17 -14.920 25.604 -3.763 1.00 0.00 C ATOM 261 O MET A 17 -14.853 24.421 -3.434 1.00 0.00 O ATOM 262 CB MET A 17 -13.418 26.104 -5.704 1.00 0.00 C ATOM 263 CG MET A 17 -12.478 26.277 -4.504 1.00 0.00 C ATOM 264 SD MET A 17 -10.938 27.043 -5.052 1.00 0.00 S ATOM 265 CE MET A 17 -11.657 28.625 -5.558 1.00 0.00 C ATOM 0 H MET A 17 -14.949 28.027 -5.770 1.00 0.00 H new ATOM 0 HA MET A 17 -15.395 25.233 -5.807 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.146 25.207 -6.261 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.307 26.948 -6.385 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.953 26.895 -3.742 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.273 25.309 -4.047 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.642 28.700 -6.645 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.686 28.687 -5.204 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.076 29.442 -5.130 1.00 0.00 H new ATOM 275 N LEU A 18 -15.011 26.599 -2.887 1.00 0.00 N ATOM 276 CA LEU A 18 -15.031 26.349 -1.450 1.00 0.00 C ATOM 277 C LEU A 18 -16.184 25.418 -1.063 1.00 0.00 C ATOM 278 O LEU A 18 -16.120 24.748 -0.035 1.00 0.00 O ATOM 279 CB LEU A 18 -15.135 27.669 -0.672 1.00 0.00 C ATOM 280 CG LEU A 18 -15.910 28.714 -1.485 1.00 0.00 C ATOM 281 CD1 LEU A 18 -17.219 28.110 -1.990 1.00 0.00 C ATOM 282 CD2 LEU A 18 -16.218 29.923 -0.600 1.00 0.00 C ATOM 0 H LEU A 18 -15.072 27.584 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.094 25.858 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.635 27.497 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.137 28.044 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.305 29.027 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.765 28.856 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.002 27.249 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.825 27.793 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.769 30.666 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.820 29.606 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.285 30.360 -0.243 1.00 0.00 H new ATOM 294 N SER A 19 -17.232 25.369 -1.891 1.00 0.00 N ATOM 295 CA SER A 19 -18.372 24.498 -1.613 1.00 0.00 C ATOM 296 C SER A 19 -17.963 23.038 -1.782 1.00 0.00 C ATOM 297 O SER A 19 -18.050 22.235 -0.845 1.00 0.00 O ATOM 298 CB SER A 19 -19.525 24.825 -2.563 1.00 0.00 C ATOM 299 OG SER A 19 -20.666 24.059 -2.200 1.00 0.00 O ATOM 0 H SER A 19 -17.313 25.916 -2.748 1.00 0.00 H new ATOM 0 HA SER A 19 -18.700 24.662 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.758 25.889 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.237 24.605 -3.591 1.00 0.00 H new ATOM 0 HG SER A 19 -21.407 24.268 -2.806 1.00 0.00 H new ATOM 305 N HIS A 20 -17.484 22.711 -2.980 1.00 0.00 N ATOM 306 CA HIS A 20 -17.028 21.360 -3.269 1.00 0.00 C ATOM 307 C HIS A 20 -15.830 21.073 -2.386 1.00 0.00 C ATOM 308 O HIS A 20 -15.656 19.967 -1.876 1.00 0.00 O ATOM 309 CB HIS A 20 -16.634 21.228 -4.746 1.00 0.00 C ATOM 310 CG HIS A 20 -17.386 22.245 -5.563 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.756 23.059 -6.491 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.710 22.612 -5.581 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.691 23.869 -7.020 1.00 0.00 C ATOM 314 NE2 HIS A 20 -18.898 23.638 -6.499 1.00 0.00 N ATOM 0 H HIS A 20 -17.403 23.362 -3.761 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.829 20.647 -3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.560 21.377 -4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -16.857 20.223 -5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.486 22.170 -4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.489 24.615 -7.774 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -19.772 24.113 -6.726 1.00 0.00 H new ATOM 322 N CYS A 21 -15.023 22.111 -2.198 1.00 0.00 N ATOM 323 CA CYS A 21 -13.848 22.022 -1.359 1.00 0.00 C ATOM 324 C CYS A 21 -14.264 21.673 0.066 1.00 0.00 C ATOM 325 O CYS A 21 -13.647 20.825 0.709 1.00 0.00 O ATOM 326 CB CYS A 21 -13.105 23.359 -1.395 1.00 0.00 C ATOM 327 SG CYS A 21 -11.986 23.371 -2.821 1.00 0.00 S ATOM 0 H CYS A 21 -15.168 23.027 -2.622 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.184 21.239 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.815 24.183 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.542 23.502 -0.473 1.00 0.00 H new ATOM 332 N ARG A 22 -15.337 22.304 0.545 1.00 0.00 N ATOM 333 CA ARG A 22 -15.840 22.011 1.883 1.00 0.00 C ATOM 334 C ARG A 22 -16.171 20.529 1.965 1.00 0.00 C ATOM 335 O ARG A 22 -15.769 19.837 2.906 1.00 0.00 O ATOM 336 CB ARG A 22 -17.088 22.848 2.187 1.00 0.00 C ATOM 337 CG ARG A 22 -17.634 22.487 3.574 1.00 0.00 C ATOM 338 CD ARG A 22 -16.679 22.988 4.662 1.00 0.00 C ATOM 339 NE ARG A 22 -17.103 22.495 5.970 1.00 0.00 N ATOM 340 CZ ARG A 22 -16.900 21.230 6.335 1.00 0.00 C ATOM 341 NH1 ARG A 22 -16.318 20.395 5.517 1.00 0.00 N ATOM 342 NH2 ARG A 22 -17.286 20.822 7.513 1.00 0.00 N ATOM 0 H ARG A 22 -15.866 23.010 0.034 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.078 22.264 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.843 23.909 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.850 22.669 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.620 22.931 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.756 21.407 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.665 22.651 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.659 24.078 4.665 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.565 23.133 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.017 20.711 4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.164 19.427 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.743 21.471 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.131 19.854 7.793 1.00 0.00 H new ATOM 356 N MET A 23 -16.879 20.038 0.948 1.00 0.00 N ATOM 357 CA MET A 23 -17.220 18.626 0.899 1.00 0.00 C ATOM 358 C MET A 23 -15.935 17.814 0.962 1.00 0.00 C ATOM 359 O MET A 23 -15.827 16.853 1.717 1.00 0.00 O ATOM 360 CB MET A 23 -17.978 18.308 -0.395 1.00 0.00 C ATOM 361 CG MET A 23 -18.505 16.870 -0.346 1.00 0.00 C ATOM 362 SD MET A 23 -19.202 16.424 -1.957 1.00 0.00 S ATOM 363 CE MET A 23 -20.574 17.606 -1.956 1.00 0.00 C ATOM 0 H MET A 23 -17.220 20.590 0.161 1.00 0.00 H new ATOM 0 HA MET A 23 -17.862 18.373 1.743 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.806 19.005 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.319 18.435 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 23 -17.698 16.185 -0.085 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.266 16.777 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.358 17.254 -2.627 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.975 17.697 -0.946 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.216 18.579 -2.294 1.00 0.00 H new ATOM 373 N TYR A 24 -14.948 18.240 0.180 1.00 0.00 N ATOM 374 CA TYR A 24 -13.652 17.577 0.159 1.00 0.00 C ATOM 375 C TYR A 24 -13.073 17.496 1.569 1.00 0.00 C ATOM 376 O TYR A 24 -12.539 16.465 1.961 1.00 0.00 O ATOM 377 CB TYR A 24 -12.702 18.339 -0.777 1.00 0.00 C ATOM 378 CG TYR A 24 -11.263 18.113 -0.374 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.592 16.953 -0.775 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.598 19.074 0.399 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.257 16.753 -0.405 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.265 18.876 0.768 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.593 17.716 0.367 1.00 0.00 C ATOM 384 OH TYR A 24 -7.278 17.524 0.729 1.00 0.00 O ATOM 0 H TYR A 24 -15.022 19.041 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.774 16.560 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.853 18.009 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.931 19.404 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.104 16.212 -1.370 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.116 19.969 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.739 15.857 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.753 19.618 1.363 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.037 18.160 1.435 1.00 0.00 H new ATOM 394 N MET A 25 -13.184 18.589 2.324 1.00 0.00 N ATOM 395 CA MET A 25 -12.669 18.626 3.694 1.00 0.00 C ATOM 396 C MET A 25 -13.345 17.567 4.570 1.00 0.00 C ATOM 397 O MET A 25 -12.681 16.837 5.307 1.00 0.00 O ATOM 398 CB MET A 25 -12.911 20.008 4.296 1.00 0.00 C ATOM 399 CG MET A 25 -12.074 21.051 3.549 1.00 0.00 C ATOM 400 SD MET A 25 -10.312 20.733 3.824 1.00 0.00 S ATOM 401 CE MET A 25 -10.282 21.101 5.597 1.00 0.00 C ATOM 0 H MET A 25 -13.623 19.456 2.013 1.00 0.00 H new ATOM 0 HA MET A 25 -11.600 18.414 3.660 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.969 20.263 4.232 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.647 20.006 5.354 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.298 21.015 2.483 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.331 22.052 3.895 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.285 21.436 5.882 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.005 21.886 5.818 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.538 20.203 6.159 1.00 0.00 H new ATOM 411 N ARG A 26 -14.669 17.485 4.493 1.00 0.00 N ATOM 412 CA ARG A 26 -15.394 16.501 5.291 1.00 0.00 C ATOM 413 C ARG A 26 -14.957 15.089 4.904 1.00 0.00 C ATOM 414 O ARG A 26 -14.567 14.276 5.756 1.00 0.00 O ATOM 415 CB ARG A 26 -16.901 16.664 5.066 1.00 0.00 C ATOM 416 CG ARG A 26 -17.673 15.760 6.031 1.00 0.00 C ATOM 417 CD ARG A 26 -19.174 15.863 5.743 1.00 0.00 C ATOM 418 NE ARG A 26 -19.635 17.238 5.937 1.00 0.00 N ATOM 419 CZ ARG A 26 -19.719 18.097 4.921 1.00 0.00 C ATOM 420 NH1 ARG A 26 -19.388 17.729 3.711 1.00 0.00 N ATOM 421 NH2 ARG A 26 -20.132 19.317 5.136 1.00 0.00 N ATOM 0 H ARG A 26 -15.253 18.074 3.899 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.170 16.661 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.190 17.704 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.153 16.411 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.342 14.727 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.469 16.053 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.378 15.545 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.725 15.191 6.402 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.899 17.547 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.062 16.778 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.455 18.393 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -20.389 19.610 6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.198 19.977 4.361 1.00 0.00 H new ATOM 435 N GLN A 27 -14.987 14.824 3.604 1.00 0.00 N ATOM 436 CA GLN A 27 -14.567 13.535 3.082 1.00 0.00 C ATOM 437 C GLN A 27 -13.116 13.314 3.429 1.00 0.00 C ATOM 438 O GLN A 27 -12.677 12.189 3.621 1.00 0.00 O ATOM 439 CB GLN A 27 -14.749 13.481 1.560 1.00 0.00 C ATOM 440 CG GLN A 27 -16.061 12.766 1.222 1.00 0.00 C ATOM 441 CD GLN A 27 -17.255 13.645 1.583 1.00 0.00 C ATOM 442 OE1 GLN A 27 -18.402 13.222 1.442 1.00 0.00 O ATOM 443 NE2 GLN A 27 -17.054 14.847 2.044 1.00 0.00 N ATOM 0 H GLN A 27 -15.298 15.486 2.894 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.181 12.753 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.757 14.491 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.910 12.957 1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -16.087 12.524 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.119 11.823 1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.103 15.196 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.848 15.439 2.289 1.00 0.00 H new ATOM 452 N GLN A 28 -12.385 14.418 3.508 1.00 0.00 N ATOM 453 CA GLN A 28 -10.983 14.373 3.829 1.00 0.00 C ATOM 454 C GLN A 28 -10.797 13.810 5.231 1.00 0.00 C ATOM 455 O GLN A 28 -9.895 13.006 5.470 1.00 0.00 O ATOM 456 CB GLN A 28 -10.415 15.784 3.701 1.00 0.00 C ATOM 457 CG GLN A 28 -9.158 15.950 4.562 1.00 0.00 C ATOM 458 CD GLN A 28 -9.535 16.251 6.012 1.00 0.00 C ATOM 459 OE1 GLN A 28 -10.309 17.170 6.277 1.00 0.00 O ATOM 460 NE2 GLN A 28 -9.025 15.529 6.973 1.00 0.00 N ATOM 0 H GLN A 28 -12.752 15.357 3.351 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.446 13.718 3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.175 15.990 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.167 16.512 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.558 15.041 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.543 16.758 4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.383 14.767 6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.268 15.727 7.944 1.00 0.00 H new ATOM 469 N MET A 29 -11.673 14.215 6.152 1.00 0.00 N ATOM 470 CA MET A 29 -11.594 13.705 7.513 1.00 0.00 C ATOM 471 C MET A 29 -11.838 12.202 7.496 1.00 0.00 C ATOM 472 O MET A 29 -11.036 11.427 8.018 1.00 0.00 O ATOM 473 CB MET A 29 -12.636 14.386 8.409 1.00 0.00 C ATOM 474 CG MET A 29 -12.327 15.882 8.521 1.00 0.00 C ATOM 475 SD MET A 29 -13.346 16.620 9.825 1.00 0.00 S ATOM 476 CE MET A 29 -14.968 16.228 9.122 1.00 0.00 C ATOM 0 H MET A 29 -12.428 14.880 5.982 1.00 0.00 H new ATOM 0 HA MET A 29 -10.603 13.918 7.914 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.634 14.242 7.996 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.632 13.929 9.399 1.00 0.00 H new ATOM 0 HG2 MET A 29 -11.270 16.029 8.745 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.523 16.376 7.569 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.527 17.150 8.961 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.837 15.712 8.171 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.518 15.586 9.811 1.00 0.00 H new ATOM 486 N GLU A 30 -12.938 11.792 6.860 1.00 0.00 N ATOM 487 CA GLU A 30 -13.255 10.365 6.751 1.00 0.00 C ATOM 488 C GLU A 30 -12.207 9.651 5.896 1.00 0.00 C ATOM 489 O GLU A 30 -11.891 8.481 6.119 1.00 0.00 O ATOM 490 CB GLU A 30 -14.642 10.167 6.129 1.00 0.00 C ATOM 491 CG GLU A 30 -15.724 10.634 7.110 1.00 0.00 C ATOM 492 CD GLU A 30 -16.055 12.104 6.871 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.515 12.418 5.784 1.00 0.00 O ATOM 494 OE2 GLU A 30 -15.846 12.894 7.778 1.00 0.00 O ATOM 0 H GLU A 30 -13.614 12.415 6.419 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.251 9.940 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.716 10.728 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.792 9.116 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.621 10.027 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.381 10.493 8.135 1.00 0.00 H new ATOM 501 N GLU A 31 -11.693 10.376 4.908 1.00 0.00 N ATOM 502 CA GLU A 31 -10.692 9.851 3.979 1.00 0.00 C ATOM 503 C GLU A 31 -9.399 9.453 4.684 1.00 0.00 C ATOM 504 O GLU A 31 -8.570 8.752 4.107 1.00 0.00 O ATOM 505 CB GLU A 31 -10.401 10.906 2.904 1.00 0.00 C ATOM 506 CG GLU A 31 -9.265 10.444 1.994 1.00 0.00 C ATOM 507 CD GLU A 31 -9.035 11.467 0.885 1.00 0.00 C ATOM 508 OE1 GLU A 31 -9.967 11.721 0.139 1.00 0.00 O ATOM 509 OE2 GLU A 31 -7.931 11.981 0.796 1.00 0.00 O ATOM 0 H GLU A 31 -11.957 11.344 4.727 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.098 8.948 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.298 11.087 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.135 11.851 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.352 10.314 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.507 9.474 1.560 1.00 0.00 H new ATOM 516 N SER A 32 -9.225 9.905 5.921 1.00 0.00 N ATOM 517 CA SER A 32 -8.012 9.591 6.676 1.00 0.00 C ATOM 518 C SER A 32 -7.581 8.137 6.461 1.00 0.00 C ATOM 519 O SER A 32 -6.393 7.825 6.468 1.00 0.00 O ATOM 520 CB SER A 32 -8.258 9.832 8.165 1.00 0.00 C ATOM 521 OG SER A 32 -9.298 8.973 8.616 1.00 0.00 O ATOM 0 H SER A 32 -9.900 10.484 6.421 1.00 0.00 H new ATOM 0 HA SER A 32 -7.214 10.241 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.345 9.645 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.531 10.873 8.336 1.00 0.00 H new ATOM 0 HG SER A 32 -10.156 9.443 8.563 1.00 0.00 H new ATOM 527 N THR A 33 -8.553 7.255 6.278 1.00 0.00 N ATOM 528 CA THR A 33 -8.266 5.836 6.065 1.00 0.00 C ATOM 529 C THR A 33 -7.573 5.577 4.719 1.00 0.00 C ATOM 530 O THR A 33 -6.503 4.968 4.671 1.00 0.00 O ATOM 531 CB THR A 33 -9.570 5.033 6.129 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.454 5.482 5.110 1.00 0.00 O ATOM 533 CG2 THR A 33 -10.228 5.226 7.498 1.00 0.00 C ATOM 0 H THR A 33 -9.545 7.492 6.272 1.00 0.00 H new ATOM 0 HA THR A 33 -7.584 5.519 6.854 1.00 0.00 H new ATOM 0 HB THR A 33 -9.350 3.976 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.287 4.968 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.155 4.654 7.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.551 4.879 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.447 6.283 7.651 1.00 0.00 H new ATOM 541 N TYR A 34 -8.213 6.011 3.630 1.00 0.00 N ATOM 542 CA TYR A 34 -7.684 5.792 2.275 1.00 0.00 C ATOM 543 C TYR A 34 -6.932 7.008 1.721 1.00 0.00 C ATOM 544 O TYR A 34 -6.596 7.033 0.537 1.00 0.00 O ATOM 545 CB TYR A 34 -8.813 5.369 1.320 1.00 0.00 C ATOM 546 CG TYR A 34 -9.687 6.546 0.940 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.781 6.896 1.744 1.00 0.00 C ATOM 548 CD2 TYR A 34 -9.419 7.272 -0.228 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.601 7.971 1.379 1.00 0.00 C ATOM 550 CE2 TYR A 34 -10.241 8.345 -0.592 1.00 0.00 C ATOM 551 CZ TYR A 34 -11.332 8.695 0.213 1.00 0.00 C ATOM 552 OH TYR A 34 -12.141 9.754 -0.145 1.00 0.00 O ATOM 0 H TYR A 34 -9.099 6.516 3.657 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.954 4.985 2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.384 4.927 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.423 4.599 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.991 6.337 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.577 7.003 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.443 8.241 1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.034 8.903 -1.493 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.629 10.588 -0.096 1.00 0.00 H new ATOM 562 N GLN A 35 -6.712 8.021 2.561 1.00 0.00 N ATOM 563 CA GLN A 35 -6.037 9.256 2.131 1.00 0.00 C ATOM 564 C GLN A 35 -4.990 9.022 1.049 1.00 0.00 C ATOM 565 O GLN A 35 -4.786 9.888 0.198 1.00 0.00 O ATOM 566 CB GLN A 35 -5.356 9.932 3.305 1.00 0.00 C ATOM 567 CG GLN A 35 -4.318 8.994 3.927 1.00 0.00 C ATOM 568 CD GLN A 35 -4.362 9.123 5.439 1.00 0.00 C ATOM 569 OE1 GLN A 35 -3.761 8.321 6.154 1.00 0.00 O ATOM 570 NE2 GLN A 35 -5.045 10.097 5.971 1.00 0.00 N ATOM 0 H GLN A 35 -6.989 8.015 3.543 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.822 9.890 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.874 10.852 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.098 10.212 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.520 7.964 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.322 9.241 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.541 10.758 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.084 10.198 6.985 1.00 0.00 H new ATOM 579 N THR A 36 -4.327 7.869 1.070 1.00 0.00 N ATOM 580 CA THR A 36 -3.318 7.600 0.058 1.00 0.00 C ATOM 581 C THR A 36 -3.965 7.687 -1.318 1.00 0.00 C ATOM 582 O THR A 36 -4.749 6.819 -1.707 1.00 0.00 O ATOM 583 CB THR A 36 -2.717 6.206 0.267 1.00 0.00 C ATOM 584 OG1 THR A 36 -3.765 5.259 0.431 1.00 0.00 O ATOM 585 CG2 THR A 36 -1.831 6.209 1.516 1.00 0.00 C ATOM 0 H THR A 36 -4.466 7.127 1.756 1.00 0.00 H new ATOM 0 HA THR A 36 -2.517 8.336 0.136 1.00 0.00 H new ATOM 0 HB THR A 36 -2.115 5.938 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.402 5.345 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.405 5.216 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.027 6.934 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.430 6.479 2.386 1.00 0.00 H new ATOM 593 N MET A 37 -3.645 8.759 -2.036 1.00 0.00 N ATOM 594 CA MET A 37 -4.210 8.989 -3.363 1.00 0.00 C ATOM 595 C MET A 37 -3.847 7.859 -4.324 1.00 0.00 C ATOM 596 O MET A 37 -2.679 7.683 -4.674 1.00 0.00 O ATOM 597 CB MET A 37 -3.693 10.318 -3.920 1.00 0.00 C ATOM 598 CG MET A 37 -4.159 11.473 -3.025 1.00 0.00 C ATOM 599 SD MET A 37 -5.496 12.374 -3.849 1.00 0.00 S ATOM 600 CE MET A 37 -4.491 13.157 -5.136 1.00 0.00 C ATOM 0 H MET A 37 -2.998 9.482 -1.722 1.00 0.00 H new ATOM 0 HA MET A 37 -5.295 9.022 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.604 10.302 -3.972 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.058 10.463 -4.937 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.503 11.087 -2.065 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.327 12.145 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.030 14.010 -5.550 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.549 13.497 -4.706 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.289 12.436 -5.928 1.00 0.00 H new ATOM 610 N PRO A 38 -4.825 7.105 -4.769 1.00 0.00 N ATOM 611 CA PRO A 38 -4.615 5.986 -5.722 1.00 0.00 C ATOM 612 C PRO A 38 -4.747 6.449 -7.171 1.00 0.00 C ATOM 613 O PRO A 38 -5.614 7.264 -7.491 1.00 0.00 O ATOM 614 CB PRO A 38 -5.744 5.030 -5.355 1.00 0.00 C ATOM 615 CG PRO A 38 -6.871 5.917 -4.929 1.00 0.00 C ATOM 616 CD PRO A 38 -6.248 7.224 -4.410 1.00 0.00 C ATOM 0 HA PRO A 38 -3.621 5.545 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.028 4.409 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.446 4.355 -4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.542 6.116 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.465 5.438 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.706 8.097 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.381 7.330 -3.333 1.00 0.00 H new ATOM 624 N ARG A 39 -3.897 5.920 -8.042 1.00 0.00 N ATOM 625 CA ARG A 39 -3.946 6.288 -9.453 1.00 0.00 C ATOM 626 C ARG A 39 -5.274 5.857 -10.048 1.00 0.00 C ATOM 627 O ARG A 39 -5.856 6.558 -10.876 1.00 0.00 O ATOM 628 CB ARG A 39 -2.838 5.588 -10.236 1.00 0.00 C ATOM 629 CG ARG A 39 -1.493 5.756 -9.517 1.00 0.00 C ATOM 630 CD ARG A 39 -1.079 7.231 -9.532 1.00 0.00 C ATOM 631 NE ARG A 39 0.265 7.386 -8.981 1.00 0.00 N ATOM 632 CZ ARG A 39 1.349 7.128 -9.710 1.00 0.00 C ATOM 633 NH1 ARG A 39 1.232 6.721 -10.945 1.00 0.00 N ATOM 634 NH2 ARG A 39 2.535 7.281 -9.186 1.00 0.00 N ATOM 0 H ARG A 39 -3.173 5.243 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.820 7.369 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.072 4.529 -10.343 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.775 6.003 -11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.572 5.401 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.730 5.149 -10.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.107 7.613 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.788 7.821 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 39 0.376 7.699 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.307 6.599 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.066 6.525 -11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.629 7.597 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.367 7.084 -9.742 1.00 0.00 H new ATOM 648 N ARG A 40 -5.736 4.682 -9.626 1.00 0.00 N ATOM 649 CA ARG A 40 -6.986 4.147 -10.131 1.00 0.00 C ATOM 650 C ARG A 40 -8.150 4.994 -9.662 1.00 0.00 C ATOM 651 O ARG A 40 -8.612 4.885 -8.526 1.00 0.00 O ATOM 652 CB ARG A 40 -7.170 2.702 -9.663 1.00 0.00 C ATOM 653 CG ARG A 40 -6.079 1.830 -10.285 1.00 0.00 C ATOM 654 CD ARG A 40 -6.337 1.661 -11.786 1.00 0.00 C ATOM 655 NE ARG A 40 -5.359 0.745 -12.367 1.00 0.00 N ATOM 656 CZ ARG A 40 -4.112 1.133 -12.627 1.00 0.00 C ATOM 657 NH1 ARG A 40 -3.735 2.355 -12.362 1.00 0.00 N ATOM 658 NH2 ARG A 40 -3.264 0.290 -13.149 1.00 0.00 N ATOM 0 H ARG A 40 -5.264 4.091 -8.942 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.955 4.165 -11.220 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.118 2.650 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.155 2.336 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.102 2.286 -10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.060 0.855 -9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.345 1.279 -11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.279 2.629 -12.283 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.637 -0.213 -12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.397 3.016 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.779 2.649 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.557 -0.665 -13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.308 0.586 -13.349 1.00 0.00 H new ATOM 672 N GLY A 41 -8.610 5.834 -10.569 1.00 0.00 N ATOM 673 CA GLY A 41 -9.735 6.723 -10.290 1.00 0.00 C ATOM 674 C GLY A 41 -9.414 7.675 -9.141 1.00 0.00 C ATOM 675 O GLY A 41 -9.742 7.398 -7.986 1.00 0.00 O ATOM 0 H GLY A 41 -8.225 5.924 -11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.979 7.297 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.616 6.132 -10.041 1.00 0.00 H new ATOM 679 N MET A 42 -8.773 8.795 -9.466 1.00 0.00 N ATOM 680 CA MET A 42 -8.410 9.789 -8.458 1.00 0.00 C ATOM 681 C MET A 42 -9.644 10.250 -7.681 1.00 0.00 C ATOM 682 O MET A 42 -10.775 9.952 -8.064 1.00 0.00 O ATOM 683 CB MET A 42 -7.745 10.994 -9.130 1.00 0.00 C ATOM 684 CG MET A 42 -6.424 10.561 -9.770 1.00 0.00 C ATOM 685 SD MET A 42 -5.545 12.016 -10.395 1.00 0.00 S ATOM 686 CE MET A 42 -6.789 12.546 -11.601 1.00 0.00 C ATOM 0 H MET A 42 -8.495 9.037 -10.417 1.00 0.00 H new ATOM 0 HA MET A 42 -7.711 9.330 -7.759 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.408 11.412 -9.888 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.565 11.779 -8.396 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.808 10.038 -9.038 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.615 9.862 -10.584 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.321 13.184 -12.350 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.220 11.671 -12.088 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.576 13.102 -11.091 1.00 0.00 H new ATOM 696 N GLU A 43 -9.415 10.976 -6.587 1.00 0.00 N ATOM 697 CA GLU A 43 -10.514 11.468 -5.755 1.00 0.00 C ATOM 698 C GLU A 43 -11.305 12.550 -6.496 1.00 0.00 C ATOM 699 O GLU A 43 -10.777 13.624 -6.788 1.00 0.00 O ATOM 700 CB GLU A 43 -9.961 12.040 -4.442 1.00 0.00 C ATOM 701 CG GLU A 43 -8.728 11.237 -4.006 1.00 0.00 C ATOM 702 CD GLU A 43 -8.410 11.500 -2.534 1.00 0.00 C ATOM 703 OE1 GLU A 43 -8.481 12.648 -2.124 1.00 0.00 O ATOM 704 OE2 GLU A 43 -8.093 10.548 -1.839 1.00 0.00 O ATOM 0 H GLU A 43 -8.485 11.235 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.181 10.635 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.696 13.089 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.726 12.000 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.906 10.173 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.872 11.510 -4.623 1.00 0.00 H new ATOM 711 N PRO A 44 -12.554 12.283 -6.811 1.00 0.00 N ATOM 712 CA PRO A 44 -13.430 13.252 -7.542 1.00 0.00 C ATOM 713 C PRO A 44 -13.673 14.538 -6.754 1.00 0.00 C ATOM 714 O PRO A 44 -13.765 15.618 -7.336 1.00 0.00 O ATOM 715 CB PRO A 44 -14.749 12.493 -7.752 1.00 0.00 C ATOM 716 CG PRO A 44 -14.452 11.056 -7.468 1.00 0.00 C ATOM 717 CD PRO A 44 -13.268 11.035 -6.508 1.00 0.00 C ATOM 0 HA PRO A 44 -12.965 13.574 -8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.525 12.869 -7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.114 12.621 -8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.317 10.562 -7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.214 10.521 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.595 11.003 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.636 10.162 -6.670 1.00 0.00 H new ATOM 725 N HIS A 45 -13.781 14.415 -5.431 1.00 0.00 N ATOM 726 CA HIS A 45 -14.018 15.582 -4.582 1.00 0.00 C ATOM 727 C HIS A 45 -12.999 16.674 -4.883 1.00 0.00 C ATOM 728 O HIS A 45 -13.345 17.852 -4.986 1.00 0.00 O ATOM 729 CB HIS A 45 -13.925 15.186 -3.107 1.00 0.00 C ATOM 730 CG HIS A 45 -15.021 14.211 -2.776 1.00 0.00 C ATOM 731 ND1 HIS A 45 -16.330 14.616 -2.565 1.00 0.00 N ATOM 732 CD2 HIS A 45 -15.021 12.847 -2.621 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.057 13.516 -2.298 1.00 0.00 C ATOM 734 NE2 HIS A 45 -16.308 12.411 -2.319 1.00 0.00 N ATOM 0 H HIS A 45 -13.709 13.530 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.018 15.963 -4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.952 14.739 -2.901 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.009 16.071 -2.476 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -16.678 15.574 -2.605 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.155 12.209 -2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -18.117 13.526 -2.092 1.00 0.00 H new ATOM 742 N MET A 46 -11.745 16.265 -5.032 1.00 0.00 N ATOM 743 CA MET A 46 -10.667 17.200 -5.333 1.00 0.00 C ATOM 744 C MET A 46 -10.887 17.831 -6.709 1.00 0.00 C ATOM 745 O MET A 46 -10.672 19.028 -6.902 1.00 0.00 O ATOM 746 CB MET A 46 -9.334 16.444 -5.320 1.00 0.00 C ATOM 747 CG MET A 46 -9.081 15.874 -3.920 1.00 0.00 C ATOM 748 SD MET A 46 -7.639 14.777 -3.958 1.00 0.00 S ATOM 749 CE MET A 46 -6.363 16.048 -4.110 1.00 0.00 C ATOM 0 H MET A 46 -11.449 15.292 -4.949 1.00 0.00 H new ATOM 0 HA MET A 46 -10.653 17.991 -4.583 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.354 15.638 -6.054 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.522 17.113 -5.604 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.914 16.685 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.958 15.326 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.393 15.623 -3.851 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.336 16.415 -5.136 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.590 16.874 -3.435 1.00 0.00 H new ATOM 759 N SER A 47 -11.314 17.000 -7.657 1.00 0.00 N ATOM 760 CA SER A 47 -11.565 17.441 -9.030 1.00 0.00 C ATOM 761 C SER A 47 -12.652 18.518 -9.112 1.00 0.00 C ATOM 762 O SER A 47 -12.613 19.370 -9.998 1.00 0.00 O ATOM 763 CB SER A 47 -11.979 16.243 -9.884 1.00 0.00 C ATOM 764 OG SER A 47 -11.014 15.207 -9.743 1.00 0.00 O ATOM 0 H SER A 47 -11.495 16.009 -7.499 1.00 0.00 H new ATOM 0 HA SER A 47 -10.639 17.879 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.961 15.885 -9.576 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.061 16.539 -10.930 1.00 0.00 H new ATOM 0 HG SER A 47 -11.279 14.437 -10.289 1.00 0.00 H new ATOM 770 N GLU A 48 -13.636 18.455 -8.218 1.00 0.00 N ATOM 771 CA GLU A 48 -14.745 19.414 -8.245 1.00 0.00 C ATOM 772 C GLU A 48 -14.264 20.860 -8.112 1.00 0.00 C ATOM 773 O GLU A 48 -14.769 21.751 -8.795 1.00 0.00 O ATOM 774 CB GLU A 48 -15.726 19.112 -7.109 1.00 0.00 C ATOM 775 CG GLU A 48 -16.367 17.739 -7.322 1.00 0.00 C ATOM 776 CD GLU A 48 -17.428 17.489 -6.254 1.00 0.00 C ATOM 777 OE1 GLU A 48 -17.053 17.226 -5.123 1.00 0.00 O ATOM 778 OE2 GLU A 48 -18.601 17.568 -6.581 1.00 0.00 O ATOM 0 H GLU A 48 -13.691 17.760 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.236 19.307 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.205 19.135 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.498 19.881 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.818 17.688 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.604 16.961 -7.278 1.00 0.00 H new ATOM 785 N CYS A 49 -13.301 21.094 -7.228 1.00 0.00 N ATOM 786 CA CYS A 49 -12.783 22.444 -7.024 1.00 0.00 C ATOM 787 C CYS A 49 -11.940 22.916 -8.216 1.00 0.00 C ATOM 788 O CYS A 49 -11.812 24.116 -8.451 1.00 0.00 O ATOM 789 CB CYS A 49 -11.952 22.498 -5.735 1.00 0.00 C ATOM 790 SG CYS A 49 -13.061 22.508 -4.302 1.00 0.00 S ATOM 0 H CYS A 49 -12.867 20.377 -6.647 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.635 23.118 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.283 21.639 -5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.326 23.390 -5.730 1.00 0.00 H new ATOM 795 N CYS A 50 -11.352 21.966 -8.945 1.00 0.00 N ATOM 796 CA CYS A 50 -10.489 22.287 -10.092 1.00 0.00 C ATOM 797 C CYS A 50 -11.144 23.218 -11.115 1.00 0.00 C ATOM 798 O CYS A 50 -10.495 24.132 -11.623 1.00 0.00 O ATOM 799 CB CYS A 50 -10.074 21.010 -10.818 1.00 0.00 C ATOM 800 SG CYS A 50 -9.338 21.459 -12.413 1.00 0.00 S ATOM 0 H CYS A 50 -11.455 20.967 -8.765 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.628 22.805 -9.670 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.359 20.449 -10.217 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.939 20.364 -10.970 1.00 0.00 H new ATOM 805 N GLU A 51 -12.404 22.963 -11.451 1.00 0.00 N ATOM 806 CA GLU A 51 -13.088 23.776 -12.460 1.00 0.00 C ATOM 807 C GLU A 51 -13.034 25.265 -12.127 1.00 0.00 C ATOM 808 O GLU A 51 -12.942 26.100 -13.025 1.00 0.00 O ATOM 809 CB GLU A 51 -14.546 23.328 -12.600 1.00 0.00 C ATOM 810 CG GLU A 51 -14.605 21.982 -13.337 1.00 0.00 C ATOM 811 CD GLU A 51 -14.201 20.835 -12.412 1.00 0.00 C ATOM 812 OE1 GLU A 51 -14.477 20.922 -11.228 1.00 0.00 O ATOM 813 OE2 GLU A 51 -13.633 19.874 -12.906 1.00 0.00 O ATOM 0 H GLU A 51 -12.968 22.214 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.566 23.628 -13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.004 23.235 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.116 24.079 -13.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.614 21.813 -13.713 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.942 22.007 -14.202 1.00 0.00 H new ATOM 820 N GLN A 52 -13.095 25.594 -10.844 1.00 0.00 N ATOM 821 CA GLN A 52 -13.053 26.993 -10.424 1.00 0.00 C ATOM 822 C GLN A 52 -11.753 27.671 -10.847 1.00 0.00 C ATOM 823 O GLN A 52 -11.763 28.626 -11.623 1.00 0.00 O ATOM 824 CB GLN A 52 -13.202 27.076 -8.908 1.00 0.00 C ATOM 825 CG GLN A 52 -14.684 27.089 -8.558 1.00 0.00 C ATOM 826 CD GLN A 52 -15.299 25.719 -8.827 1.00 0.00 C ATOM 827 OE1 GLN A 52 -14.935 24.735 -8.183 1.00 0.00 O ATOM 828 NE2 GLN A 52 -16.213 25.595 -9.750 1.00 0.00 N ATOM 0 H GLN A 52 -13.173 24.921 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.877 27.514 -10.911 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.710 26.227 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.718 27.976 -8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.815 27.356 -7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.198 27.849 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.514 26.411 -10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.627 24.682 -9.939 1.00 0.00 H new ATOM 837 N LEU A 53 -10.640 27.175 -10.317 1.00 0.00 N ATOM 838 CA LEU A 53 -9.324 27.737 -10.624 1.00 0.00 C ATOM 839 C LEU A 53 -9.055 27.645 -12.108 1.00 0.00 C ATOM 840 O LEU A 53 -8.754 28.634 -12.777 1.00 0.00 O ATOM 841 CB LEU A 53 -8.223 26.955 -9.900 1.00 0.00 C ATOM 842 CG LEU A 53 -8.695 26.437 -8.530 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.801 27.329 -7.931 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.219 25.009 -8.711 1.00 0.00 C ATOM 0 H LEU A 53 -10.620 26.385 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.321 28.777 -10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.909 26.114 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.351 27.595 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.854 26.456 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.107 26.929 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.421 28.342 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.658 27.347 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.559 24.622 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.050 25.013 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.421 24.374 -9.096 1.00 0.00 H new ATOM 856 N GLU A 54 -9.165 26.425 -12.598 1.00 0.00 N ATOM 857 CA GLU A 54 -8.943 26.127 -13.993 1.00 0.00 C ATOM 858 C GLU A 54 -9.815 27.014 -14.880 1.00 0.00 C ATOM 859 O GLU A 54 -9.408 27.402 -15.975 1.00 0.00 O ATOM 860 CB GLU A 54 -9.231 24.644 -14.202 1.00 0.00 C ATOM 861 CG GLU A 54 -8.954 24.249 -15.658 1.00 0.00 C ATOM 862 CD GLU A 54 -7.455 24.323 -15.958 1.00 0.00 C ATOM 863 OE1 GLU A 54 -6.669 24.138 -15.041 1.00 0.00 O ATOM 864 OE2 GLU A 54 -7.114 24.568 -17.103 1.00 0.00 O ATOM 0 H GLU A 54 -9.412 25.612 -12.034 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.911 26.336 -14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.611 24.048 -13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.270 24.429 -13.951 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.318 23.238 -15.842 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.499 24.912 -16.331 1.00 0.00 H new ATOM 871 N GLY A 55 -11.006 27.353 -14.385 1.00 0.00 N ATOM 872 CA GLY A 55 -11.920 28.220 -15.124 1.00 0.00 C ATOM 873 C GLY A 55 -11.579 29.687 -14.871 1.00 0.00 C ATOM 874 O GLY A 55 -11.963 30.570 -15.639 1.00 0.00 O ATOM 0 H GLY A 55 -11.358 27.041 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.856 28.003 -16.190 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.947 28.021 -14.820 1.00 0.00 H new ATOM 878 N MET A 56 -10.849 29.930 -13.784 1.00 0.00 N ATOM 879 CA MET A 56 -10.437 31.280 -13.407 1.00 0.00 C ATOM 880 C MET A 56 -9.145 31.666 -14.122 1.00 0.00 C ATOM 881 O MET A 56 -8.336 30.802 -14.465 1.00 0.00 O ATOM 882 CB MET A 56 -10.231 31.345 -11.887 1.00 0.00 C ATOM 883 CG MET A 56 -9.489 32.629 -11.505 1.00 0.00 C ATOM 884 SD MET A 56 -9.312 32.713 -9.705 1.00 0.00 S ATOM 885 CE MET A 56 -10.334 34.180 -9.431 1.00 0.00 C ATOM 0 H MET A 56 -10.529 29.203 -13.145 1.00 0.00 H new ATOM 0 HA MET A 56 -11.217 31.982 -13.701 1.00 0.00 H new ATOM 0 HB2 MET A 56 -11.196 31.310 -11.381 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.664 30.476 -11.553 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.508 32.649 -11.979 1.00 0.00 H new ATOM 0 HG3 MET A 56 -10.036 33.499 -11.868 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.974 34.021 -8.563 1.00 0.00 H new ATOM 0 HE2 MET A 56 -9.692 35.043 -9.255 1.00 0.00 H new ATOM 0 HE3 MET A 56 -10.953 34.361 -10.309 1.00 0.00 H new ATOM 895 N ASP A 57 -8.955 32.968 -14.338 1.00 0.00 N ATOM 896 CA ASP A 57 -7.752 33.456 -15.008 1.00 0.00 C ATOM 897 C ASP A 57 -6.508 32.867 -14.349 1.00 0.00 C ATOM 898 O ASP A 57 -6.456 32.713 -13.128 1.00 0.00 O ATOM 899 CB ASP A 57 -7.696 34.985 -14.936 1.00 0.00 C ATOM 900 CG ASP A 57 -8.884 35.602 -15.677 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.409 34.955 -16.571 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.254 36.713 -15.338 1.00 0.00 O ATOM 0 H ASP A 57 -9.613 33.697 -14.061 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.784 33.146 -16.053 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.703 35.306 -13.894 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.763 35.341 -15.373 1.00 0.00 H new ATOM 907 N GLU A 58 -5.518 32.523 -15.163 1.00 0.00 N ATOM 908 CA GLU A 58 -4.289 31.934 -14.644 1.00 0.00 C ATOM 909 C GLU A 58 -3.638 32.810 -13.578 1.00 0.00 C ATOM 910 O GLU A 58 -3.364 32.348 -12.472 1.00 0.00 O ATOM 911 CB GLU A 58 -3.291 31.721 -15.775 1.00 0.00 C ATOM 912 CG GLU A 58 -1.969 31.246 -15.171 1.00 0.00 C ATOM 913 CD GLU A 58 -2.105 29.818 -14.638 1.00 0.00 C ATOM 914 OE1 GLU A 58 -2.880 29.060 -15.200 1.00 0.00 O ATOM 915 OE2 GLU A 58 -1.439 29.507 -13.664 1.00 0.00 O ATOM 0 H GLU A 58 -5.540 32.640 -16.176 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.561 30.981 -14.190 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.671 30.984 -16.482 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.143 32.648 -16.329 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.183 31.286 -15.925 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.670 31.915 -14.364 1.00 0.00 H new ATOM 922 N SER A 59 -3.382 34.068 -13.919 1.00 0.00 N ATOM 923 CA SER A 59 -2.752 34.985 -12.976 1.00 0.00 C ATOM 924 C SER A 59 -3.542 35.012 -11.678 1.00 0.00 C ATOM 925 O SER A 59 -2.983 35.157 -10.592 1.00 0.00 O ATOM 926 CB SER A 59 -2.696 36.392 -13.574 1.00 0.00 C ATOM 927 OG SER A 59 -1.960 36.358 -14.789 1.00 0.00 O ATOM 0 H SER A 59 -3.598 34.473 -14.830 1.00 0.00 H new ATOM 0 HA SER A 59 -1.737 34.643 -12.773 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.705 36.762 -13.757 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.227 37.080 -12.871 1.00 0.00 H new ATOM 0 HG SER A 59 -1.924 37.258 -15.175 1.00 0.00 H new ATOM 933 N CYS A 60 -4.848 34.852 -11.816 1.00 0.00 N ATOM 934 CA CYS A 60 -5.748 34.841 -10.665 1.00 0.00 C ATOM 935 C CYS A 60 -5.640 33.525 -9.901 1.00 0.00 C ATOM 936 O CYS A 60 -5.961 33.456 -8.714 1.00 0.00 O ATOM 937 CB CYS A 60 -7.192 35.065 -11.119 1.00 0.00 C ATOM 938 SG CYS A 60 -7.344 36.708 -11.863 1.00 0.00 S ATOM 0 H CYS A 60 -5.314 34.727 -12.715 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.454 35.651 -9.998 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.481 34.300 -11.840 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.869 34.975 -10.270 1.00 0.00 H new ATOM 943 N ARG A 61 -5.206 32.480 -10.601 1.00 0.00 N ATOM 944 CA ARG A 61 -5.079 31.156 -10.001 1.00 0.00 C ATOM 945 C ARG A 61 -4.109 31.175 -8.821 1.00 0.00 C ATOM 946 O ARG A 61 -4.361 30.540 -7.796 1.00 0.00 O ATOM 947 CB ARG A 61 -4.568 30.167 -11.053 1.00 0.00 C ATOM 948 CG ARG A 61 -4.659 28.735 -10.519 1.00 0.00 C ATOM 949 CD ARG A 61 -3.891 27.793 -11.451 1.00 0.00 C ATOM 950 NE ARG A 61 -4.351 27.952 -12.828 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.327 27.199 -13.332 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.922 26.304 -12.589 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.692 27.362 -14.574 1.00 0.00 N ATOM 0 H ARG A 61 -4.937 32.525 -11.584 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.061 30.851 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.155 30.260 -11.966 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.536 30.402 -11.312 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.246 28.684 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.702 28.426 -10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.823 28.003 -11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.031 26.761 -11.131 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.913 28.658 -13.419 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.640 26.179 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.669 25.730 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.230 28.063 -15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.439 26.788 -14.966 1.00 0.00 H new ATOM 967 N CYS A 62 -2.999 31.898 -8.969 1.00 0.00 N ATOM 968 CA CYS A 62 -2.010 31.973 -7.896 1.00 0.00 C ATOM 969 C CYS A 62 -2.657 32.500 -6.615 1.00 0.00 C ATOM 970 O CYS A 62 -2.674 31.820 -5.588 1.00 0.00 O ATOM 971 CB CYS A 62 -0.851 32.897 -8.304 1.00 0.00 C ATOM 972 SG CYS A 62 -0.658 32.893 -10.108 1.00 0.00 S ATOM 0 H CYS A 62 -2.765 32.431 -9.806 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.622 30.971 -7.715 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.043 33.911 -7.953 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.073 32.565 -7.831 1.00 0.00 H new ATOM 977 N GLU A 63 -3.198 33.713 -6.696 1.00 0.00 N ATOM 978 CA GLU A 63 -3.863 34.344 -5.556 1.00 0.00 C ATOM 979 C GLU A 63 -5.065 33.526 -5.088 1.00 0.00 C ATOM 980 O GLU A 63 -5.349 33.449 -3.892 1.00 0.00 O ATOM 981 CB GLU A 63 -4.327 35.752 -5.948 1.00 0.00 C ATOM 982 CG GLU A 63 -4.937 36.461 -4.731 1.00 0.00 C ATOM 983 CD GLU A 63 -5.492 37.833 -5.129 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.414 38.177 -6.300 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.988 38.521 -4.252 1.00 0.00 O ATOM 0 H GLU A 63 -3.189 34.282 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.148 34.399 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.485 36.328 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.062 35.691 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.734 35.849 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.180 36.580 -3.955 1.00 0.00 H new ATOM 992 N GLY A 64 -5.785 32.947 -6.046 1.00 0.00 N ATOM 993 CA GLY A 64 -6.982 32.168 -5.746 1.00 0.00 C ATOM 994 C GLY A 64 -6.724 31.063 -4.726 1.00 0.00 C ATOM 995 O GLY A 64 -7.321 31.055 -3.651 1.00 0.00 O ATOM 0 H GLY A 64 -5.559 33.003 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.758 32.833 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.363 31.726 -6.666 1.00 0.00 H new ATOM 999 N LEU A 65 -5.853 30.123 -5.072 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.555 29.008 -4.176 1.00 0.00 C ATOM 1001 C LEU A 65 -5.098 29.493 -2.804 1.00 0.00 C ATOM 1002 O LEU A 65 -5.592 29.017 -1.782 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.483 28.110 -4.795 1.00 0.00 C ATOM 1004 CG LEU A 65 -5.032 27.469 -6.074 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.967 26.560 -6.691 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -6.280 26.640 -5.734 1.00 0.00 C ATOM 0 H LEU A 65 -5.345 30.108 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.474 28.438 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.591 28.694 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.187 27.337 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.296 28.250 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.359 26.105 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.082 27.148 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.700 25.778 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.672 26.183 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.015 25.860 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.040 27.288 -5.297 1.00 0.00 H new ATOM 1018 N ARG A 66 -4.162 30.437 -2.781 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.667 30.964 -1.512 1.00 0.00 C ATOM 1020 C ARG A 66 -4.818 31.539 -0.688 1.00 0.00 C ATOM 1021 O ARG A 66 -4.980 31.213 0.488 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.628 32.057 -1.772 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.414 31.460 -2.490 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.328 32.528 -2.637 1.00 0.00 C ATOM 1025 NE ARG A 66 0.701 32.081 -3.574 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.745 32.527 -4.830 1.00 0.00 C ATOM 1027 NH1 ARG A 66 -0.150 33.374 -5.264 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.686 32.110 -5.633 1.00 0.00 N ATOM 0 H ARG A 66 -3.736 30.848 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.205 30.149 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.066 32.851 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.319 32.509 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.028 30.610 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.707 31.087 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.770 33.460 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.121 32.736 -1.666 1.00 0.00 H new ATOM 0 HE ARG A 66 1.403 31.411 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.889 33.699 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.109 33.710 -6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.384 31.445 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.723 32.449 -6.594 1.00 0.00 H new ATOM 1042 N MET A 67 -5.612 32.393 -1.329 1.00 0.00 N ATOM 1043 CA MET A 67 -6.755 33.022 -0.674 1.00 0.00 C ATOM 1044 C MET A 67 -7.784 31.991 -0.216 1.00 0.00 C ATOM 1045 O MET A 67 -8.207 31.991 0.941 1.00 0.00 O ATOM 1046 CB MET A 67 -7.415 34.007 -1.647 1.00 0.00 C ATOM 1047 CG MET A 67 -8.804 34.397 -1.135 1.00 0.00 C ATOM 1048 SD MET A 67 -9.542 35.619 -2.251 1.00 0.00 S ATOM 1049 CE MET A 67 -8.406 36.983 -1.896 1.00 0.00 C ATOM 0 H MET A 67 -5.484 32.666 -2.304 1.00 0.00 H new ATOM 0 HA MET A 67 -6.392 33.546 0.210 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.794 34.897 -1.753 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.496 33.555 -2.636 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.441 33.515 -1.073 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.729 34.807 -0.128 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.803 37.906 -2.318 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.297 37.094 -0.817 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.433 36.771 -2.339 1.00 0.00 H new ATOM 1059 N MET A 68 -8.198 31.138 -1.144 1.00 0.00 N ATOM 1060 CA MET A 68 -9.204 30.122 -0.860 1.00 0.00 C ATOM 1061 C MET A 68 -8.753 29.163 0.239 1.00 0.00 C ATOM 1062 O MET A 68 -9.534 28.823 1.125 1.00 0.00 O ATOM 1063 CB MET A 68 -9.503 29.342 -2.142 1.00 0.00 C ATOM 1064 CG MET A 68 -10.637 28.338 -1.909 1.00 0.00 C ATOM 1065 SD MET A 68 -12.174 28.981 -2.620 1.00 0.00 S ATOM 1066 CE MET A 68 -12.486 30.273 -1.391 1.00 0.00 C ATOM 0 H MET A 68 -7.851 31.130 -2.103 1.00 0.00 H new ATOM 0 HA MET A 68 -10.104 30.624 -0.504 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.779 30.033 -2.939 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.607 28.817 -2.472 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.387 27.380 -2.364 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.765 28.160 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.530 30.583 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.274 29.886 -0.394 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.842 31.129 -1.592 1.00 0.00 H new ATOM 1076 N MET A 69 -7.498 28.725 0.177 1.00 0.00 N ATOM 1077 CA MET A 69 -6.979 27.797 1.180 1.00 0.00 C ATOM 1078 C MET A 69 -7.285 28.301 2.590 1.00 0.00 C ATOM 1079 O MET A 69 -7.980 27.637 3.359 1.00 0.00 O ATOM 1080 CB MET A 69 -5.466 27.632 1.006 1.00 0.00 C ATOM 1081 CG MET A 69 -4.952 26.546 1.956 1.00 0.00 C ATOM 1082 SD MET A 69 -3.148 26.451 1.847 1.00 0.00 S ATOM 1083 CE MET A 69 -2.778 27.970 2.762 1.00 0.00 C ATOM 0 H MET A 69 -6.830 28.992 -0.546 1.00 0.00 H new ATOM 0 HA MET A 69 -7.466 26.832 1.042 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.236 27.365 -0.025 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.962 28.576 1.211 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.254 26.771 2.979 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.394 25.583 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.107 27.742 3.590 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.301 28.689 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.703 28.394 3.152 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.763 29.479 2.915 1.00 0.00 N ATOM 1094 CA ARG A 70 -6.985 30.074 4.229 1.00 0.00 C ATOM 1095 C ARG A 70 -8.475 30.302 4.490 1.00 0.00 C ATOM 1096 O ARG A 70 -8.958 30.090 5.604 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.236 31.406 4.323 1.00 0.00 C ATOM 1098 CG ARG A 70 -6.354 31.968 5.744 1.00 0.00 C ATOM 1099 CD ARG A 70 -5.536 33.256 5.857 1.00 0.00 C ATOM 1100 NE ARG A 70 -6.143 34.312 5.051 1.00 0.00 N ATOM 1101 CZ ARG A 70 -5.570 35.508 4.932 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -4.444 35.762 5.542 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -6.137 36.429 4.203 1.00 0.00 N ATOM 0 H ARG A 70 -6.185 30.040 2.289 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.609 29.383 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.187 31.263 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.647 32.116 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.399 32.167 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.997 31.234 6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.481 33.570 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.514 33.077 5.524 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.024 34.130 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.000 35.043 6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.009 36.680 5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.017 36.232 3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.701 37.346 4.110 1.00 0.00 H new ATOM 1117 N MET A 71 -9.192 30.752 3.460 1.00 0.00 N ATOM 1118 CA MET A 71 -10.618 31.027 3.583 1.00 0.00 C ATOM 1119 C MET A 71 -11.396 29.764 3.923 1.00 0.00 C ATOM 1120 O MET A 71 -12.369 29.810 4.676 1.00 0.00 O ATOM 1121 CB MET A 71 -11.153 31.618 2.275 1.00 0.00 C ATOM 1122 CG MET A 71 -12.454 32.378 2.552 1.00 0.00 C ATOM 1123 SD MET A 71 -13.649 32.032 1.236 1.00 0.00 S ATOM 1124 CE MET A 71 -14.672 30.855 2.155 1.00 0.00 C ATOM 0 H MET A 71 -8.806 30.933 2.533 1.00 0.00 H new ATOM 0 HA MET A 71 -10.752 31.744 4.393 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.414 32.289 1.837 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.331 30.823 1.550 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.863 32.079 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.257 33.449 2.607 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.600 29.871 1.692 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.323 30.797 3.186 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.710 31.187 2.142 1.00 0.00 H new ATOM 1134 N MET A 72 -10.974 28.639 3.352 1.00 0.00 N ATOM 1135 CA MET A 72 -11.659 27.378 3.598 1.00 0.00 C ATOM 1136 C MET A 72 -11.713 27.061 5.086 1.00 0.00 C ATOM 1137 O MET A 72 -12.764 26.695 5.614 1.00 0.00 O ATOM 1138 CB MET A 72 -10.953 26.235 2.862 1.00 0.00 C ATOM 1139 CG MET A 72 -11.334 26.256 1.381 1.00 0.00 C ATOM 1140 SD MET A 72 -13.126 26.056 1.220 1.00 0.00 S ATOM 1141 CE MET A 72 -13.254 24.449 2.043 1.00 0.00 C ATOM 0 H MET A 72 -10.172 28.576 2.725 1.00 0.00 H new ATOM 0 HA MET A 72 -12.678 27.478 3.225 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.873 26.334 2.970 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.232 25.279 3.305 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.019 27.195 0.926 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.818 25.456 0.850 1.00 0.00 H new ATOM 0 HE1 MET A 72 -14.180 23.959 1.743 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.406 23.826 1.759 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.253 24.592 3.124 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.578 27.208 5.757 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.510 26.937 7.186 1.00 0.00 C ATOM 1153 C GLN A 73 -11.475 27.846 7.941 1.00 0.00 C ATOM 1154 O GLN A 73 -12.186 27.406 8.840 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.079 27.151 7.689 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.115 26.283 6.875 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.664 24.867 6.749 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.688 24.117 7.724 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -9.128 24.464 5.598 1.00 0.00 N ATOM 0 H GLN A 73 -9.699 27.511 5.338 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.797 25.901 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.804 28.202 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.012 26.894 8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.972 26.715 5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.138 26.261 7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.106 25.089 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.513 23.524 5.504 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.489 29.117 7.556 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.366 30.095 8.188 1.00 0.00 C ATOM 1170 C GLN A 74 -13.843 29.759 7.964 1.00 0.00 C ATOM 1171 O GLN A 74 -14.669 29.936 8.861 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.057 31.491 7.641 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.225 32.432 7.951 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.078 32.629 6.704 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -14.809 33.614 6.599 1.00 0.00 O ATOM 1176 NE2 GLN A 74 -14.033 31.740 5.750 1.00 0.00 N ATOM 0 H GLN A 74 -10.904 29.494 6.810 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.181 30.070 9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.140 31.873 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.891 31.443 6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.833 32.019 8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.846 33.393 8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.426 30.925 5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.605 31.860 4.914 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.171 29.296 6.762 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.556 28.970 6.428 1.00 0.00 C ATOM 1187 C LYS A 75 -16.129 27.944 7.402 1.00 0.00 C ATOM 1188 O LYS A 75 -17.289 28.040 7.807 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.624 28.419 5.000 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.085 28.200 4.588 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.745 29.550 4.285 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.174 29.322 3.787 1.00 0.00 C ATOM 1193 NZ LYS A 75 -20.008 28.779 4.897 1.00 0.00 N ATOM 0 H LYS A 75 -13.503 29.138 6.007 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.150 29.881 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.144 29.114 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.076 27.479 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.133 27.556 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.626 27.691 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.756 30.170 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.168 30.088 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.598 30.259 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.171 28.627 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.014 28.846 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.759 27.783 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.834 29.329 5.763 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.311 26.968 7.772 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.745 25.926 8.701 1.00 0.00 C ATOM 1209 C GLU A 76 -14.543 25.139 9.215 1.00 0.00 C ATOM 1210 O GLU A 76 -14.347 23.981 8.846 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.731 24.981 8.001 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.384 24.053 9.035 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.303 24.846 9.967 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.820 25.868 9.542 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.475 24.418 11.097 1.00 0.00 O ATOM 0 H GLU A 76 -14.349 26.873 7.447 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.242 26.397 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.496 25.558 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.210 24.391 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.956 23.277 8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.613 23.550 9.618 1.00 0.00 H new ATOM 1222 N MET A 77 -13.734 25.779 10.052 1.00 0.00 N ATOM 1223 CA MET A 77 -12.545 25.131 10.596 1.00 0.00 C ATOM 1224 C MET A 77 -12.889 23.825 11.306 1.00 0.00 C ATOM 1225 O MET A 77 -13.205 23.811 12.496 1.00 0.00 O ATOM 1226 CB MET A 77 -11.820 26.070 11.560 1.00 0.00 C ATOM 1227 CG MET A 77 -10.312 25.947 11.338 1.00 0.00 C ATOM 1228 SD MET A 77 -9.786 24.237 11.626 1.00 0.00 S ATOM 1229 CE MET A 77 -9.997 24.228 13.425 1.00 0.00 C ATOM 0 H MET A 77 -13.877 26.738 10.367 1.00 0.00 H new ATOM 0 HA MET A 77 -11.889 24.896 9.758 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.142 27.099 11.396 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.070 25.818 12.590 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.059 26.249 10.322 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.780 26.619 12.011 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.235 23.594 13.878 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.899 25.244 13.808 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.985 23.841 13.674 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.797 22.726 10.565 1.00 0.00 N ATOM 1240 CA GLN A 78 -13.066 21.403 11.127 1.00 0.00 C ATOM 1241 C GLN A 78 -12.140 21.160 12.313 1.00 0.00 C ATOM 1242 O GLN A 78 -11.050 21.731 12.369 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.838 20.322 10.066 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.741 20.581 8.859 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.568 19.469 7.830 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.451 19.015 7.581 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.616 18.999 7.211 1.00 0.00 N ATOM 0 H GLN A 78 -12.540 22.722 9.578 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.104 21.359 11.457 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.793 20.319 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.049 19.338 10.485 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.782 20.634 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.496 21.544 8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.541 19.375 7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.510 18.255 6.521 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.521 20.337 13.256 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.673 20.049 14.428 1.00 0.00 C ATOM 1258 C PRO A 79 -10.820 18.810 14.200 1.00 0.00 C ATOM 1259 O PRO A 79 -11.315 17.682 14.204 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.711 19.800 15.513 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.842 19.134 14.797 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.778 19.587 13.328 1.00 0.00 C ATOM 0 HA PRO A 79 -10.966 20.844 14.663 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.314 19.166 16.306 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.030 20.732 15.980 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.758 18.050 14.870 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.797 19.411 15.244 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.778 18.737 12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.633 20.209 13.062 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.537 19.044 14.025 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.575 17.971 13.816 1.00 0.00 C ATOM 1272 C ARG A 80 -7.176 18.570 13.723 1.00 0.00 C ATOM 1273 O ARG A 80 -6.950 19.493 12.938 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.900 17.188 12.536 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.108 15.704 12.872 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.585 15.329 12.706 1.00 0.00 C ATOM 1277 NE ARG A 80 -10.704 13.998 12.117 1.00 0.00 N ATOM 1278 CZ ARG A 80 -10.324 13.761 10.865 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -9.843 14.728 10.130 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -10.433 12.560 10.369 1.00 0.00 N ATOM 0 H ARG A 80 -9.128 19.978 14.023 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.626 17.278 14.656 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.797 17.594 12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.089 17.297 11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.492 15.085 12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.787 15.506 13.895 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.085 15.352 13.674 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.085 16.061 12.072 1.00 0.00 H new ATOM 0 HE ARG A 80 -11.086 13.236 12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.758 15.668 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.552 14.543 9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.809 11.804 10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.142 12.376 9.409 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.242 18.068 14.520 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.889 18.610 14.491 1.00 0.00 C ATOM 1296 C GLY A 81 -3.984 17.876 13.502 1.00 0.00 C ATOM 1297 O GLY A 81 -3.637 18.410 12.450 1.00 0.00 O ATOM 0 H GLY A 81 -6.389 17.304 15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.930 19.666 14.225 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.455 18.549 15.489 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.582 16.665 13.870 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.680 15.862 13.044 1.00 0.00 C ATOM 1303 C GLU A 82 -3.248 15.498 11.667 1.00 0.00 C ATOM 1304 O GLU A 82 -2.524 15.535 10.672 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.316 14.575 13.793 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.283 13.776 12.986 1.00 0.00 C ATOM 1307 CD GLU A 82 0.040 14.539 12.897 1.00 0.00 C ATOM 1308 OE1 GLU A 82 0.345 15.279 13.819 1.00 0.00 O ATOM 1309 OE2 GLU A 82 0.726 14.376 11.902 1.00 0.00 O ATOM 0 H GLU A 82 -3.867 16.213 14.739 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.801 16.481 12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.914 14.818 14.777 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.210 13.972 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.118 12.806 13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.666 13.584 11.984 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.514 15.093 11.615 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.108 14.664 10.346 1.00 0.00 C ATOM 1318 C GLN A 83 -5.067 15.756 9.279 1.00 0.00 C ATOM 1319 O GLN A 83 -4.398 15.604 8.256 1.00 0.00 O ATOM 1320 CB GLN A 83 -6.557 14.225 10.571 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.054 13.461 9.340 1.00 0.00 C ATOM 1322 CD GLN A 83 -6.345 12.113 9.245 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -6.440 11.296 10.159 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -5.636 11.834 8.187 1.00 0.00 N ATOM 0 H GLN A 83 -5.141 15.052 12.419 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.511 13.828 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.624 13.593 11.456 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.188 15.095 10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.132 13.311 9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.867 14.045 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.559 12.514 7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.158 10.936 8.116 1.00 0.00 H new ATOM 1333 N MET A 84 -5.790 16.846 9.512 1.00 0.00 N ATOM 1334 CA MET A 84 -5.828 17.941 8.548 1.00 0.00 C ATOM 1335 C MET A 84 -4.449 18.561 8.331 1.00 0.00 C ATOM 1336 O MET A 84 -4.137 19.000 7.223 1.00 0.00 O ATOM 1337 CB MET A 84 -6.832 19.006 8.983 1.00 0.00 C ATOM 1338 CG MET A 84 -8.260 18.510 8.697 1.00 0.00 C ATOM 1339 SD MET A 84 -9.443 19.848 9.000 1.00 0.00 S ATOM 1340 CE MET A 84 -9.184 20.004 10.784 1.00 0.00 C ATOM 0 H MET A 84 -6.352 16.995 10.350 1.00 0.00 H new ATOM 0 HA MET A 84 -6.150 17.522 7.595 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.715 19.219 10.046 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.645 19.938 8.449 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.337 18.170 7.664 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.492 17.655 9.332 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.079 19.676 11.312 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.338 19.385 11.084 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.978 21.045 11.032 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.623 18.601 9.377 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.287 19.180 9.236 1.00 0.00 C ATOM 1352 C ARG A 85 -1.569 18.522 8.064 1.00 0.00 C ATOM 1353 O ARG A 85 -1.040 19.204 7.185 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.474 18.976 10.518 1.00 0.00 C ATOM 1355 CG ARG A 85 -0.122 19.685 10.389 1.00 0.00 C ATOM 1356 CD ARG A 85 0.693 19.476 11.668 1.00 0.00 C ATOM 1357 NE ARG A 85 1.182 18.103 11.739 1.00 0.00 N ATOM 1358 CZ ARG A 85 2.153 17.754 12.580 1.00 0.00 C ATOM 1359 NH1 ARG A 85 2.681 18.643 13.379 1.00 0.00 N ATOM 1360 NH2 ARG A 85 2.580 16.522 12.607 1.00 0.00 N ATOM 0 H ARG A 85 -3.847 18.249 10.308 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.386 20.250 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.022 19.369 11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.322 17.912 10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.424 19.295 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.274 20.750 10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.533 20.170 11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.077 19.695 12.540 1.00 0.00 H new ATOM 0 HE ARG A 85 0.771 17.395 11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.349 19.607 13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.425 18.373 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.170 15.826 11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.324 16.254 13.251 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.584 17.192 8.045 1.00 0.00 N ATOM 1375 CA ARG A 86 -0.963 16.445 6.958 1.00 0.00 C ATOM 1376 C ARG A 86 -1.646 16.790 5.638 1.00 0.00 C ATOM 1377 O ARG A 86 -0.997 16.912 4.599 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.074 14.941 7.224 1.00 0.00 C ATOM 1379 CG ARG A 86 -0.252 14.578 8.465 1.00 0.00 C ATOM 1380 CD ARG A 86 -0.369 13.076 8.742 1.00 0.00 C ATOM 1381 NE ARG A 86 0.309 12.310 7.698 1.00 0.00 N ATOM 1382 CZ ARG A 86 -0.360 11.768 6.680 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -1.654 11.915 6.583 1.00 0.00 N ATOM 1384 NH2 ARG A 86 0.283 11.087 5.771 1.00 0.00 N ATOM 0 H ARG A 86 -2.017 16.614 8.765 1.00 0.00 H new ATOM 0 HA ARG A 86 0.091 16.716 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.118 14.663 7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.715 14.381 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.793 14.849 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.606 15.145 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.068 12.844 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.420 12.789 8.788 1.00 0.00 H new ATOM 0 HE ARG A 86 1.320 12.187 7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.161 12.448 7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.158 11.497 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.294 10.971 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.225 10.671 4.991 1.00 0.00 H new ATOM 1398 N MET A 87 -2.970 16.945 5.702 1.00 0.00 N ATOM 1399 CA MET A 87 -3.766 17.276 4.522 1.00 0.00 C ATOM 1400 C MET A 87 -3.260 18.553 3.857 1.00 0.00 C ATOM 1401 O MET A 87 -3.459 18.750 2.662 1.00 0.00 O ATOM 1402 CB MET A 87 -5.236 17.454 4.900 1.00 0.00 C ATOM 1403 CG MET A 87 -6.093 17.467 3.627 1.00 0.00 C ATOM 1404 SD MET A 87 -7.127 18.957 3.593 1.00 0.00 S ATOM 1405 CE MET A 87 -7.778 18.856 5.278 1.00 0.00 C ATOM 0 H MET A 87 -3.513 16.846 6.560 1.00 0.00 H new ATOM 0 HA MET A 87 -3.669 16.450 3.818 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.554 16.645 5.557 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.371 18.384 5.452 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.452 17.439 2.746 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.721 16.577 3.592 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.867 18.819 5.246 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.398 17.956 5.761 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.462 19.733 5.843 1.00 0.00 H new ATOM 1415 N MET A 88 -2.618 19.428 4.631 1.00 0.00 N ATOM 1416 CA MET A 88 -2.112 20.675 4.066 1.00 0.00 C ATOM 1417 C MET A 88 -1.401 20.380 2.748 1.00 0.00 C ATOM 1418 O MET A 88 -1.736 20.948 1.708 1.00 0.00 O ATOM 1419 CB MET A 88 -1.134 21.332 5.044 1.00 0.00 C ATOM 1420 CG MET A 88 -0.725 22.714 4.524 1.00 0.00 C ATOM 1421 SD MET A 88 1.083 22.841 4.487 1.00 0.00 S ATOM 1422 CE MET A 88 1.397 22.310 6.190 1.00 0.00 C ATOM 0 H MET A 88 -2.440 19.301 5.627 1.00 0.00 H new ATOM 0 HA MET A 88 -2.945 21.355 3.888 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.597 21.426 6.026 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.251 20.704 5.166 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.131 22.872 3.525 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.141 23.492 5.164 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.332 22.747 6.541 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.579 22.640 6.831 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.469 21.223 6.225 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.445 19.455 2.798 1.00 0.00 N ATOM 1433 CA ARG A 89 0.283 19.049 1.603 1.00 0.00 C ATOM 1434 C ARG A 89 -0.694 18.457 0.586 1.00 0.00 C ATOM 1435 O ARG A 89 -0.598 18.712 -0.616 1.00 0.00 O ATOM 1436 CB ARG A 89 1.338 18.004 1.972 1.00 0.00 C ATOM 1437 CG ARG A 89 2.346 18.620 2.949 1.00 0.00 C ATOM 1438 CD ARG A 89 3.442 17.600 3.269 1.00 0.00 C ATOM 1439 NE ARG A 89 2.855 16.377 3.813 1.00 0.00 N ATOM 1440 CZ ARG A 89 2.342 16.337 5.042 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.362 17.402 5.799 1.00 0.00 N ATOM 1442 NH2 ARG A 89 1.819 15.230 5.493 1.00 0.00 N ATOM 0 H ARG A 89 -0.159 18.975 3.651 1.00 0.00 H new ATOM 0 HA ARG A 89 0.776 19.918 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.861 17.134 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.850 17.656 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.786 19.518 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.840 18.924 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.008 17.369 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.145 18.024 3.986 1.00 0.00 H new ATOM 0 HE ARG A 89 2.838 15.534 3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.771 18.268 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.968 17.367 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.803 14.397 4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.426 15.198 6.434 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.638 17.667 1.099 1.00 0.00 N ATOM 1457 CA LEU A 90 -2.655 17.023 0.275 1.00 0.00 C ATOM 1458 C LEU A 90 -3.492 18.051 -0.481 1.00 0.00 C ATOM 1459 O LEU A 90 -3.852 17.837 -1.637 1.00 0.00 O ATOM 1460 CB LEU A 90 -3.555 16.177 1.179 1.00 0.00 C ATOM 1461 CG LEU A 90 -4.745 15.622 0.394 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -4.256 14.581 -0.603 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -5.728 14.971 1.367 1.00 0.00 C ATOM 0 H LEU A 90 -1.717 17.458 2.094 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.162 16.392 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.980 15.355 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.913 16.782 2.012 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.240 16.432 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.104 14.186 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.550 15.042 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.764 13.769 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.579 14.573 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.230 14.160 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.077 15.715 2.084 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.806 19.162 0.176 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.608 20.204 -0.455 1.00 0.00 C ATOM 1477 C ALA A 91 -3.966 20.646 -1.766 1.00 0.00 C ATOM 1478 O ALA A 91 -4.650 20.838 -2.769 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.741 21.399 0.489 1.00 0.00 C ATOM 0 H ALA A 91 -3.521 19.363 1.135 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.599 19.804 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.341 22.174 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.226 21.081 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.751 21.795 0.717 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.642 20.788 -1.748 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.893 21.185 -2.938 1.00 0.00 C ATOM 1487 C GLU A 92 -2.130 20.197 -4.079 1.00 0.00 C ATOM 1488 O GLU A 92 -1.984 20.543 -5.250 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.396 21.253 -2.614 1.00 0.00 C ATOM 1490 CG GLU A 92 0.354 21.972 -3.745 1.00 0.00 C ATOM 1491 CD GLU A 92 0.700 20.999 -4.875 1.00 0.00 C ATOM 1492 OE1 GLU A 92 0.938 19.836 -4.588 1.00 0.00 O ATOM 1493 OE2 GLU A 92 0.728 21.435 -6.014 1.00 0.00 O ATOM 0 H GLU A 92 -2.065 20.634 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.241 22.169 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.243 21.780 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.003 20.247 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.259 22.785 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.267 22.421 -3.354 1.00 0.00 H new ATOM 1500 N ASN A 93 -2.487 18.963 -3.728 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.729 17.936 -4.736 1.00 0.00 C ATOM 1502 C ASN A 93 -3.984 18.255 -5.543 1.00 0.00 C ATOM 1503 O ASN A 93 -4.072 17.906 -6.719 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.878 16.562 -4.074 1.00 0.00 C ATOM 1505 CG ASN A 93 -1.601 16.192 -3.320 1.00 0.00 C ATOM 1506 OD1 ASN A 93 -1.523 15.118 -2.723 1.00 0.00 O ATOM 1507 ND2 ASN A 93 -0.588 17.018 -3.309 1.00 0.00 N ATOM 0 H ASN A 93 -2.614 18.653 -2.764 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.873 17.918 -5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.724 16.572 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.092 15.808 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.265 16.772 -2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.650 17.908 -3.803 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.953 18.924 -4.913 1.00 0.00 N ATOM 1515 CA ILE A 94 -6.188 19.283 -5.608 1.00 0.00 C ATOM 1516 C ILE A 94 -5.863 20.006 -6.920 1.00 0.00 C ATOM 1517 O ILE A 94 -6.228 19.535 -7.995 1.00 0.00 O ATOM 1518 CB ILE A 94 -7.073 20.165 -4.710 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.736 19.294 -3.635 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.158 20.844 -5.553 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.358 20.188 -2.560 1.00 0.00 C ATOM 0 H ILE A 94 -4.907 19.223 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.738 18.371 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.455 20.928 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.502 18.663 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.999 18.628 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.781 21.467 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.690 21.465 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.776 20.084 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.828 19.567 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.581 20.800 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.108 20.835 -3.014 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.172 21.121 -6.854 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.776 21.899 -8.068 1.00 0.00 C ATOM 1535 C PRO A 95 -3.751 21.159 -8.931 1.00 0.00 C ATOM 1536 O PRO A 95 -3.637 21.421 -10.126 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.171 23.186 -7.496 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.724 22.834 -6.121 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.696 21.770 -5.621 1.00 0.00 C ATOM 0 HA PRO A 95 -5.626 22.073 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.335 23.532 -8.105 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.906 23.991 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.702 22.456 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.736 23.709 -5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.204 21.058 -4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.518 22.212 -5.059 1.00 0.00 H new ATOM 1547 N SER A 96 -3.019 20.227 -8.316 1.00 0.00 N ATOM 1548 CA SER A 96 -2.011 19.442 -9.031 1.00 0.00 C ATOM 1549 C SER A 96 -2.681 18.696 -10.152 1.00 0.00 C ATOM 1550 O SER A 96 -2.107 18.453 -11.214 1.00 0.00 O ATOM 1551 CB SER A 96 -1.322 18.453 -8.089 1.00 0.00 C ATOM 1552 OG SER A 96 -0.716 19.167 -7.020 1.00 0.00 O ATOM 0 H SER A 96 -3.106 19.998 -7.326 1.00 0.00 H new ATOM 0 HA SER A 96 -1.252 20.115 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.047 17.739 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.570 17.880 -8.631 1.00 0.00 H new ATOM 0 HG SER A 96 -1.410 19.609 -6.487 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.917 18.343 -9.874 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.744 17.619 -10.802 1.00 0.00 C ATOM 1560 C ARG A 97 -4.778 18.303 -12.169 1.00 0.00 C ATOM 1561 O ARG A 97 -4.462 17.686 -13.187 1.00 0.00 O ATOM 1562 CB ARG A 97 -6.150 17.576 -10.216 1.00 0.00 C ATOM 1563 CG ARG A 97 -6.173 16.718 -8.946 1.00 0.00 C ATOM 1564 CD ARG A 97 -6.046 15.237 -9.313 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.275 14.404 -8.135 1.00 0.00 N ATOM 1566 CZ ARG A 97 -7.502 14.191 -7.662 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -8.537 14.728 -8.252 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -7.673 13.444 -6.607 1.00 0.00 N ATOM 0 H ARG A 97 -4.376 18.555 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.342 16.617 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.486 18.587 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.845 17.169 -10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.356 17.009 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.101 16.888 -8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.766 14.985 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.054 15.039 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.478 13.976 -7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.407 15.313 -9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.475 14.563 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.867 13.023 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.612 13.281 -6.245 1.00 0.00 H new ATOM 1582 N CYS A 98 -5.155 19.580 -12.180 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.219 20.346 -13.416 1.00 0.00 C ATOM 1584 C CYS A 98 -4.066 21.322 -13.496 1.00 0.00 C ATOM 1585 O CYS A 98 -4.065 22.213 -14.347 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.539 21.110 -13.493 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.831 20.146 -12.668 1.00 0.00 S ATOM 0 H CYS A 98 -5.420 20.103 -11.345 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.154 19.651 -14.253 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.437 22.086 -13.018 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.810 21.289 -14.534 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.105 21.191 -12.586 1.00 0.00 N ATOM 1593 CA ASN A 99 -1.996 22.122 -12.578 1.00 0.00 C ATOM 1594 C ASN A 99 -1.318 22.183 -13.918 1.00 0.00 C ATOM 1595 O ASN A 99 -1.395 21.268 -14.740 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.949 21.832 -11.525 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.212 22.671 -10.274 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -0.974 22.220 -9.154 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -1.680 23.885 -10.403 1.00 0.00 N ATOM 0 H ASN A 99 -3.075 20.469 -11.866 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.452 23.082 -12.335 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.962 20.772 -11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.043 22.053 -11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.848 24.458 -9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.877 24.260 -11.331 1.00 0.00 H new ATOM 1606 N LEU A 100 -0.723 23.326 -14.129 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.075 23.647 -15.379 1.00 0.00 C ATOM 1608 C LEU A 100 1.148 24.520 -15.118 1.00 0.00 C ATOM 1609 O LEU A 100 1.349 24.981 -13.997 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.102 24.396 -16.234 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.330 24.725 -15.356 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.070 26.006 -14.565 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -3.568 24.889 -16.222 1.00 0.00 C ATOM 0 H LEU A 100 -0.672 24.070 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 100 0.265 22.747 -15.892 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.666 25.312 -16.633 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.400 23.787 -17.087 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.499 23.903 -14.661 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.938 26.235 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.197 25.869 -13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.889 26.830 -15.256 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.426 25.121 -15.590 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.410 25.701 -16.932 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.757 23.963 -16.766 1.00 0.00 H new ATOM 1625 N SER A 101 1.967 24.727 -16.150 1.00 0.00 N ATOM 1626 CA SER A 101 3.179 25.537 -16.019 1.00 0.00 C ATOM 1627 C SER A 101 2.934 26.979 -16.473 1.00 0.00 C ATOM 1628 O SER A 101 2.929 27.263 -17.672 1.00 0.00 O ATOM 1629 CB SER A 101 4.300 24.923 -16.860 1.00 0.00 C ATOM 1630 OG SER A 101 3.825 24.682 -18.178 1.00 0.00 O ATOM 0 H SER A 101 1.814 24.346 -17.084 1.00 0.00 H new ATOM 0 HA SER A 101 3.466 25.552 -14.968 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.158 25.595 -16.888 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.640 23.991 -16.408 1.00 0.00 H new ATOM 0 HG SER A 101 3.326 25.464 -18.494 1.00 0.00 H new ATOM 1636 N PRO A 102 2.738 27.893 -15.551 1.00 0.00 N ATOM 1637 CA PRO A 102 2.500 29.329 -15.855 1.00 0.00 C ATOM 1638 C PRO A 102 3.818 30.089 -15.982 1.00 0.00 C ATOM 1639 O PRO A 102 4.800 29.741 -15.324 1.00 0.00 O ATOM 1640 CB PRO A 102 1.687 29.819 -14.641 1.00 0.00 C ATOM 1641 CG PRO A 102 1.610 28.654 -13.691 1.00 0.00 C ATOM 1642 CD PRO A 102 2.712 27.691 -14.108 1.00 0.00 C ATOM 0 HA PRO A 102 1.983 29.485 -16.802 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.169 30.675 -14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.691 30.141 -14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.749 28.982 -12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.633 28.173 -13.743 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.667 27.933 -13.642 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.479 26.660 -13.842 1.00 0.00 H new ATOM 1650 N MET A 103 3.847 31.114 -16.828 1.00 0.00 N ATOM 1651 CA MET A 103 5.074 31.884 -17.013 1.00 0.00 C ATOM 1652 C MET A 103 5.442 32.627 -15.729 1.00 0.00 C ATOM 1653 O MET A 103 6.509 32.396 -15.160 1.00 0.00 O ATOM 1654 CB MET A 103 4.890 32.886 -18.158 1.00 0.00 C ATOM 1655 CG MET A 103 6.244 33.501 -18.530 1.00 0.00 C ATOM 1656 SD MET A 103 5.993 34.848 -19.715 1.00 0.00 S ATOM 1657 CE MET A 103 5.344 33.849 -21.077 1.00 0.00 C ATOM 0 H MET A 103 3.053 31.427 -17.386 1.00 0.00 H new ATOM 0 HA MET A 103 5.882 31.196 -17.260 1.00 0.00 H new ATOM 0 HB2 MET A 103 4.456 32.387 -19.024 1.00 0.00 H new ATOM 0 HB3 MET A 103 4.194 33.670 -17.860 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.742 33.877 -17.636 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.895 32.740 -18.961 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.515 34.366 -22.021 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.851 32.884 -21.094 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.274 33.694 -20.937 1.00 0.00 H new ATOM 1667 N ARG A 104 4.545 33.502 -15.270 1.00 0.00 N ATOM 1668 CA ARG A 104 4.778 34.261 -14.039 1.00 0.00 C ATOM 1669 C ARG A 104 3.459 34.601 -13.353 1.00 0.00 C ATOM 1670 O ARG A 104 2.471 34.909 -14.019 1.00 0.00 O ATOM 1671 CB ARG A 104 5.527 35.568 -14.341 1.00 0.00 C ATOM 1672 CG ARG A 104 6.944 35.277 -14.851 1.00 0.00 C ATOM 1673 CD ARG A 104 7.778 34.610 -13.752 1.00 0.00 C ATOM 1674 NE ARG A 104 7.979 35.534 -12.638 1.00 0.00 N ATOM 1675 CZ ARG A 104 7.974 35.113 -11.374 1.00 0.00 C ATOM 1676 NH1 ARG A 104 7.763 33.855 -11.098 1.00 0.00 N ATOM 1677 NH2 ARG A 104 8.177 35.964 -10.407 1.00 0.00 N ATOM 0 H ARG A 104 3.656 33.702 -15.728 1.00 0.00 H new ATOM 0 HA ARG A 104 5.381 33.637 -13.379 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.978 36.143 -15.087 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.578 36.180 -13.440 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.897 34.628 -15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.422 36.204 -15.167 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.275 33.709 -13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.742 34.300 -14.155 1.00 0.00 H new ATOM 0 HE ARG A 104 8.127 36.524 -12.833 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.601 33.188 -11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.760 33.539 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.339 36.948 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.174 35.645 -9.438 1.00 0.00 H new ATOM 1691 N CYS A 105 3.462 34.575 -12.022 1.00 0.00 N ATOM 1692 CA CYS A 105 2.267 34.919 -11.247 1.00 0.00 C ATOM 1693 C CYS A 105 2.336 36.390 -10.823 1.00 0.00 C ATOM 1694 O CYS A 105 3.119 36.742 -9.938 1.00 0.00 O ATOM 1695 CB CYS A 105 2.158 34.033 -10.000 1.00 0.00 C ATOM 1696 SG CYS A 105 1.300 32.490 -10.415 1.00 0.00 S ATOM 0 H CYS A 105 4.273 34.321 -11.458 1.00 0.00 H new ATOM 0 HA CYS A 105 1.389 34.755 -11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.152 33.814 -9.611 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.617 34.560 -9.214 1.00 0.00 H new ATOM 1701 N PRO A 106 1.551 37.252 -11.426 1.00 0.00 N ATOM 1702 CA PRO A 106 1.543 38.708 -11.091 1.00 0.00 C ATOM 1703 C PRO A 106 0.931 38.989 -9.737 1.00 0.00 C ATOM 1704 O PRO A 106 0.730 40.144 -9.365 1.00 0.00 O ATOM 1705 CB PRO A 106 0.696 39.361 -12.183 1.00 0.00 C ATOM 1706 CG PRO A 106 0.423 38.296 -13.200 1.00 0.00 C ATOM 1707 CD PRO A 106 0.586 36.953 -12.489 1.00 0.00 C ATOM 0 HA PRO A 106 2.561 39.094 -11.045 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.234 39.752 -11.771 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.224 40.202 -12.633 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.583 38.399 -13.606 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.115 38.376 -14.038 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.360 36.594 -12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.957 36.182 -13.164 1.00 0.00 H new ATOM 1715 N MET A 107 0.617 37.935 -9.019 1.00 0.00 N ATOM 1716 CA MET A 107 0.004 38.083 -7.722 1.00 0.00 C ATOM 1717 C MET A 107 1.017 38.496 -6.693 1.00 0.00 C ATOM 1718 O MET A 107 1.810 37.696 -6.193 1.00 0.00 O ATOM 1719 CB MET A 107 -0.607 36.779 -7.319 1.00 0.00 C ATOM 1720 CG MET A 107 -1.806 36.507 -8.218 1.00 0.00 C ATOM 1721 SD MET A 107 -2.885 37.964 -8.245 1.00 0.00 S ATOM 1722 CE MET A 107 -3.164 38.028 -10.033 1.00 0.00 C ATOM 0 H MET A 107 0.776 36.971 -9.311 1.00 0.00 H new ATOM 0 HA MET A 107 -0.761 38.857 -7.783 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.123 35.975 -7.409 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.917 36.813 -6.275 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.471 36.271 -9.228 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.357 35.640 -7.854 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.481 39.032 -10.316 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.240 37.779 -10.555 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.939 37.312 -10.306 1.00 0.00 H new