USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -15.3! C(o=-15!,f=-22!) USER MOD Set 1.2: A 30 TYR OH : rot 150:sc= 0.337 USER MOD Single : A 2 LYS NZ :NH3+ 162:sc= 0.0877 (180deg=0.00841) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 9 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.52) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.47) USER MOD Single : A 40 CYS SG : rot 46:sc= 0.255 USER MOD Single : A 42 THR OG1 : rot -127:sc= 0.981 USER MOD Single : A 47 TYR OH : rot -43:sc= -1.61 USER MOD Single : A 55 GLN : amide:sc= -0.991 K(o=-0.99,f=-0.2) USER MOD Single : A 58 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.007) USER MOD Single : A 59 SER OG : rot 111:sc= 0.533 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -1.5 (180deg=-2.26!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.883 K(o=-0.88,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 97:sc= -0.399! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 29:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.406 5.095 9.764 1.00 0.00 N ATOM 26 CA LYS A 2 -3.207 5.632 9.073 1.00 0.00 C ATOM 27 C LYS A 2 -2.228 4.494 8.768 1.00 0.00 C ATOM 28 O LYS A 2 -2.024 3.598 9.563 1.00 0.00 O ATOM 29 CB LYS A 2 -2.549 6.704 9.957 1.00 0.00 C ATOM 30 CG LYS A 2 -1.338 6.132 10.702 1.00 0.00 C ATOM 31 CD LYS A 2 -0.640 7.248 11.482 1.00 0.00 C ATOM 32 CE LYS A 2 0.393 7.931 10.584 1.00 0.00 C ATOM 33 NZ LYS A 2 1.546 8.387 11.410 1.00 0.00 N ATOM 0 HA LYS A 2 -3.498 6.090 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.237 7.547 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.276 7.085 10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.657 5.343 11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.643 5.680 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.373 7.976 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.153 6.838 12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.735 7.240 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.060 8.780 10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.364 8.567 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.290 9.262 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.790 7.650 12.103 1.00 0.00 H new ATOM 47 N ALA A 3 -1.621 4.538 7.620 1.00 0.00 N ATOM 48 CA ALA A 3 -0.645 3.480 7.237 1.00 0.00 C ATOM 49 C ALA A 3 0.750 4.098 7.103 1.00 0.00 C ATOM 50 O ALA A 3 0.895 5.257 6.774 1.00 0.00 O ATOM 51 CB ALA A 3 -1.060 2.869 5.897 1.00 0.00 C ATOM 0 H ALA A 3 -1.759 5.268 6.921 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.628 2.705 8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.347 2.094 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.054 2.432 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.075 3.645 5.132 1.00 0.00 H new ATOM 57 N VAL A 4 1.777 3.335 7.358 1.00 0.00 N ATOM 58 CA VAL A 4 3.159 3.884 7.244 1.00 0.00 C ATOM 59 C VAL A 4 4.044 2.901 6.471 1.00 0.00 C ATOM 60 O VAL A 4 4.392 1.848 6.966 1.00 0.00 O ATOM 61 CB VAL A 4 3.738 4.093 8.644 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.056 4.865 8.544 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.742 4.889 9.490 1.00 0.00 C ATOM 0 H VAL A 4 1.720 2.356 7.640 1.00 0.00 H new ATOM 0 HA VAL A 4 3.127 4.835 6.713 1.00 0.00 H new ATOM 0 HB VAL A 4 3.922 3.125 9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.467 5.013 9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.765 4.298 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.876 5.834 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.152 5.040 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.560 5.857 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.804 4.338 9.562 1.00 0.00 H new ATOM 73 N ILE A 5 4.418 3.237 5.265 1.00 0.00 N ATOM 74 CA ILE A 5 5.286 2.315 4.475 1.00 0.00 C ATOM 75 C ILE A 5 6.752 2.636 4.747 1.00 0.00 C ATOM 76 O ILE A 5 7.341 3.493 4.117 1.00 0.00 O ATOM 77 CB ILE A 5 5.003 2.480 2.983 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.485 2.329 2.746 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.802 1.422 2.206 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.190 1.339 1.609 1.00 0.00 C ATOM 0 H ILE A 5 4.162 4.105 4.795 1.00 0.00 H new ATOM 0 HA ILE A 5 5.073 1.288 4.770 1.00 0.00 H new ATOM 0 HB ILE A 5 5.310 3.466 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.005 1.986 3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.055 3.301 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.608 1.530 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.867 1.558 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.499 0.426 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.112 1.257 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.650 1.696 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.599 0.361 1.863 1.00 0.00 H new ATOM 92 N ASN A 6 7.347 1.950 5.680 1.00 0.00 N ATOM 93 CA ASN A 6 8.772 2.198 5.998 1.00 0.00 C ATOM 94 C ASN A 6 9.643 1.486 4.961 1.00 0.00 C ATOM 95 O ASN A 6 9.894 0.303 5.061 1.00 0.00 O ATOM 96 CB ASN A 6 9.063 1.640 7.388 1.00 0.00 C ATOM 97 CG ASN A 6 8.145 2.312 8.411 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.077 1.812 8.706 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.517 3.432 8.967 1.00 0.00 N ATOM 0 H ASN A 6 6.900 1.223 6.239 1.00 0.00 H new ATOM 0 HA ASN A 6 8.988 3.266 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.908 0.561 7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.106 1.814 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.912 3.888 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.413 3.851 8.719 1.00 0.00 H new ATOM 106 N GLY A 7 10.096 2.191 3.960 1.00 0.00 N ATOM 107 CA GLY A 7 10.940 1.546 2.912 1.00 0.00 C ATOM 108 C GLY A 7 12.237 1.030 3.535 1.00 0.00 C ATOM 109 O GLY A 7 12.616 -0.109 3.347 1.00 0.00 O ATOM 0 H GLY A 7 9.918 3.186 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.395 0.723 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.165 2.262 2.122 1.00 0.00 H new ATOM 113 N GLU A 8 12.923 1.857 4.275 1.00 0.00 N ATOM 114 CA GLU A 8 14.196 1.410 4.905 1.00 0.00 C ATOM 115 C GLU A 8 13.997 0.030 5.538 1.00 0.00 C ATOM 116 O GLU A 8 14.934 -0.724 5.712 1.00 0.00 O ATOM 117 CB GLU A 8 14.611 2.412 5.984 1.00 0.00 C ATOM 118 CG GLU A 8 13.492 2.542 7.019 1.00 0.00 C ATOM 119 CD GLU A 8 14.090 2.484 8.426 1.00 0.00 C ATOM 120 OE1 GLU A 8 15.111 3.116 8.641 1.00 0.00 O ATOM 121 OE2 GLU A 8 13.516 1.809 9.265 1.00 0.00 O ATOM 0 H GLU A 8 12.657 2.822 4.470 1.00 0.00 H new ATOM 0 HA GLU A 8 14.975 1.351 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.531 2.082 6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.818 3.383 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.958 3.482 6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.765 1.740 6.888 1.00 0.00 H new ATOM 128 N GLN A 9 12.785 -0.305 5.888 1.00 0.00 N ATOM 129 CA GLN A 9 12.530 -1.632 6.513 1.00 0.00 C ATOM 130 C GLN A 9 12.185 -2.657 5.431 1.00 0.00 C ATOM 131 O GLN A 9 12.693 -3.761 5.422 1.00 0.00 O ATOM 132 CB GLN A 9 11.362 -1.511 7.493 1.00 0.00 C ATOM 133 CG GLN A 9 11.726 -0.521 8.602 1.00 0.00 C ATOM 134 CD GLN A 9 12.958 -1.026 9.355 1.00 0.00 C ATOM 135 OE1 GLN A 9 14.076 -0.768 8.956 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.799 -1.738 10.436 1.00 0.00 N ATOM 0 H GLN A 9 11.961 0.284 5.768 1.00 0.00 H new ATOM 0 HA GLN A 9 13.423 -1.960 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.468 -1.174 6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.131 -2.486 7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.926 0.462 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.888 -0.406 9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.860 -1.954 10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.614 -2.078 10.947 1.00 0.00 H new ATOM 145 N ILE A 10 11.319 -2.304 4.523 1.00 0.00 N ATOM 146 CA ILE A 10 10.934 -3.256 3.447 1.00 0.00 C ATOM 147 C ILE A 10 12.179 -3.954 2.908 1.00 0.00 C ATOM 148 O ILE A 10 13.132 -3.323 2.494 1.00 0.00 O ATOM 149 CB ILE A 10 10.239 -2.507 2.311 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.855 -2.065 2.775 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.097 -3.433 1.101 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.981 -3.292 3.014 1.00 0.00 C ATOM 0 H ILE A 10 10.860 -1.394 4.480 1.00 0.00 H new ATOM 0 HA ILE A 10 10.250 -3.998 3.859 1.00 0.00 H new ATOM 0 HB ILE A 10 10.830 -1.634 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.937 -1.480 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.397 -1.420 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.601 -2.899 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.085 -3.756 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.504 -4.305 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.992 -2.975 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.889 -3.859 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.437 -3.920 3.780 1.00 0.00 H new ATOM 164 N ARG A 11 12.175 -5.253 2.916 1.00 0.00 N ATOM 165 CA ARG A 11 13.347 -6.009 2.415 1.00 0.00 C ATOM 166 C ARG A 11 12.956 -6.793 1.159 1.00 0.00 C ATOM 167 O ARG A 11 13.778 -7.443 0.543 1.00 0.00 O ATOM 168 CB ARG A 11 13.803 -6.975 3.502 1.00 0.00 C ATOM 169 CG ARG A 11 14.575 -6.201 4.571 1.00 0.00 C ATOM 170 CD ARG A 11 14.195 -6.723 5.957 1.00 0.00 C ATOM 171 NE ARG A 11 14.914 -8.000 6.223 1.00 0.00 N ATOM 172 CZ ARG A 11 14.981 -8.469 7.438 1.00 0.00 C ATOM 173 NH1 ARG A 11 15.745 -7.886 8.321 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.284 -9.520 7.772 1.00 0.00 N ATOM 0 H ARG A 11 11.402 -5.828 3.252 1.00 0.00 H new ATOM 0 HA ARG A 11 14.155 -5.321 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.942 -7.473 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.434 -7.753 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.648 -6.312 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.350 -5.137 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.450 -5.985 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.118 -6.881 6.015 1.00 0.00 H new ATOM 0 HE ARG A 11 15.354 -8.507 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.290 -7.064 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.798 -8.253 9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.686 -9.976 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.337 -9.886 8.723 1.00 0.00 H new ATOM 188 N SER A 12 11.709 -6.742 0.774 1.00 0.00 N ATOM 189 CA SER A 12 11.277 -7.489 -0.441 1.00 0.00 C ATOM 190 C SER A 12 9.810 -7.173 -0.748 1.00 0.00 C ATOM 191 O SER A 12 9.072 -6.703 0.098 1.00 0.00 O ATOM 192 CB SER A 12 11.444 -8.992 -0.196 1.00 0.00 C ATOM 193 OG SER A 12 10.165 -9.613 -0.131 1.00 0.00 O ATOM 0 H SER A 12 10.973 -6.217 1.247 1.00 0.00 H new ATOM 0 HA SER A 12 11.890 -7.189 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.035 -9.437 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.988 -9.160 0.733 1.00 0.00 H new ATOM 0 HG SER A 12 10.276 -10.574 0.024 1.00 0.00 H new ATOM 199 N ILE A 13 9.379 -7.433 -1.953 1.00 0.00 N ATOM 200 CA ILE A 13 7.961 -7.155 -2.312 1.00 0.00 C ATOM 201 C ILE A 13 7.051 -7.730 -1.225 1.00 0.00 C ATOM 202 O ILE A 13 6.159 -7.067 -0.735 1.00 0.00 O ATOM 203 CB ILE A 13 7.633 -7.814 -3.652 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.179 -7.520 -4.025 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.831 -9.322 -3.530 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.935 -6.010 -3.987 1.00 0.00 C ATOM 0 H ILE A 13 9.948 -7.826 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 13 7.806 -6.079 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 13 8.291 -7.418 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.962 -7.909 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.506 -8.025 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.599 -9.798 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.866 -9.533 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.170 -9.714 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.899 -5.802 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.134 -5.634 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.598 -5.516 -4.698 1.00 0.00 H new ATOM 218 N SER A 14 7.278 -8.957 -0.832 1.00 0.00 N ATOM 219 CA SER A 14 6.433 -9.557 0.234 1.00 0.00 C ATOM 220 C SER A 14 6.402 -8.590 1.411 1.00 0.00 C ATOM 221 O SER A 14 5.368 -8.318 1.985 1.00 0.00 O ATOM 222 CB SER A 14 7.037 -10.888 0.680 1.00 0.00 C ATOM 223 OG SER A 14 6.029 -11.680 1.295 1.00 0.00 O ATOM 0 H SER A 14 8.009 -9.564 -1.203 1.00 0.00 H new ATOM 0 HA SER A 14 5.424 -9.736 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.457 -11.415 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.855 -10.713 1.379 1.00 0.00 H new ATOM 0 HG SER A 14 6.414 -12.535 1.580 1.00 0.00 H new ATOM 229 N ASP A 15 7.540 -8.059 1.760 1.00 0.00 N ATOM 230 CA ASP A 15 7.609 -7.092 2.880 1.00 0.00 C ATOM 231 C ASP A 15 6.685 -5.914 2.586 1.00 0.00 C ATOM 232 O ASP A 15 5.994 -5.418 3.451 1.00 0.00 O ATOM 233 CB ASP A 15 9.038 -6.572 3.003 1.00 0.00 C ATOM 234 CG ASP A 15 9.586 -6.892 4.395 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.860 -8.054 4.649 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.722 -5.971 5.183 1.00 0.00 O ATOM 0 H ASP A 15 8.433 -8.259 1.309 1.00 0.00 H new ATOM 0 HA ASP A 15 7.306 -7.582 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.668 -7.029 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.059 -5.496 2.832 1.00 0.00 H new ATOM 241 N LEU A 16 6.680 -5.462 1.365 1.00 0.00 N ATOM 242 CA LEU A 16 5.817 -4.309 0.992 1.00 0.00 C ATOM 243 C LEU A 16 4.359 -4.660 1.283 1.00 0.00 C ATOM 244 O LEU A 16 3.665 -3.961 1.995 1.00 0.00 O ATOM 245 CB LEU A 16 5.993 -4.031 -0.501 1.00 0.00 C ATOM 246 CG LEU A 16 5.440 -2.649 -0.849 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.982 -1.612 0.137 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.879 -2.278 -2.266 1.00 0.00 C ATOM 0 H LEU A 16 7.241 -5.845 0.604 1.00 0.00 H new ATOM 0 HA LEU A 16 6.095 -3.426 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.049 -4.086 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.478 -4.794 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 16 4.352 -2.667 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.585 -0.628 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.677 -1.878 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.070 -1.590 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.488 -1.293 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.968 -2.261 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.494 -3.015 -2.971 1.00 0.00 H new ATOM 260 N HIS A 17 3.899 -5.748 0.741 1.00 0.00 N ATOM 261 CA HIS A 17 2.499 -6.175 0.975 1.00 0.00 C ATOM 262 C HIS A 17 2.327 -6.514 2.455 1.00 0.00 C ATOM 263 O HIS A 17 1.230 -6.540 2.978 1.00 0.00 O ATOM 264 CB HIS A 17 2.217 -7.412 0.124 1.00 0.00 C ATOM 265 CG HIS A 17 2.601 -7.134 -1.303 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.982 -6.149 -2.056 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.539 -7.703 -2.127 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.550 -6.155 -3.276 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.505 -7.083 -3.373 1.00 0.00 N ATOM 0 H HIS A 17 4.441 -6.367 0.138 1.00 0.00 H new ATOM 0 HA HIS A 17 1.806 -5.379 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.780 -8.265 0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.161 -7.675 0.183 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.233 -5.532 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.203 -8.509 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.268 -5.490 -4.079 1.00 0.00 H new ATOM 277 N GLN A 18 3.409 -6.772 3.134 1.00 0.00 N ATOM 278 CA GLN A 18 3.326 -7.108 4.573 1.00 0.00 C ATOM 279 C GLN A 18 2.922 -5.862 5.357 1.00 0.00 C ATOM 280 O GLN A 18 1.965 -5.870 6.106 1.00 0.00 O ATOM 281 CB GLN A 18 4.689 -7.599 5.062 1.00 0.00 C ATOM 282 CG GLN A 18 4.525 -8.950 5.761 1.00 0.00 C ATOM 283 CD GLN A 18 5.778 -9.798 5.534 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.884 -9.298 5.601 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.651 -11.069 5.267 1.00 0.00 N ATOM 0 H GLN A 18 4.352 -6.763 2.746 1.00 0.00 H new ATOM 0 HA GLN A 18 2.584 -7.892 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.376 -7.694 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.124 -6.873 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.362 -8.802 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.648 -9.468 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.723 -11.488 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.480 -11.643 5.114 1.00 0.00 H new ATOM 294 N THR A 19 3.648 -4.790 5.194 1.00 0.00 N ATOM 295 CA THR A 19 3.309 -3.553 5.931 1.00 0.00 C ATOM 296 C THR A 19 1.957 -3.040 5.421 1.00 0.00 C ATOM 297 O THR A 19 1.137 -2.578 6.180 1.00 0.00 O ATOM 298 CB THR A 19 4.430 -2.508 5.731 1.00 0.00 C ATOM 299 OG1 THR A 19 5.013 -2.214 6.993 1.00 0.00 O ATOM 300 CG2 THR A 19 3.882 -1.207 5.137 1.00 0.00 C ATOM 0 H THR A 19 4.460 -4.723 4.581 1.00 0.00 H new ATOM 0 HA THR A 19 3.228 -3.747 7.000 1.00 0.00 H new ATOM 0 HB THR A 19 5.166 -2.924 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.727 -1.553 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.696 -0.494 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.425 -1.413 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.134 -0.787 5.809 1.00 0.00 H new ATOM 308 N LEU A 20 1.717 -3.128 4.142 1.00 0.00 N ATOM 309 CA LEU A 20 0.421 -2.662 3.597 1.00 0.00 C ATOM 310 C LEU A 20 -0.695 -3.495 4.221 1.00 0.00 C ATOM 311 O LEU A 20 -1.775 -3.024 4.485 1.00 0.00 O ATOM 312 CB LEU A 20 0.412 -2.869 2.086 1.00 0.00 C ATOM 313 CG LEU A 20 1.289 -1.816 1.410 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.133 -1.941 -0.102 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.853 -0.415 1.857 1.00 0.00 C ATOM 0 H LEU A 20 2.368 -3.504 3.452 1.00 0.00 H new ATOM 0 HA LEU A 20 0.275 -1.606 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.777 -3.867 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.608 -2.802 1.707 1.00 0.00 H new ATOM 0 HG LEU A 20 2.331 -1.970 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.755 -1.194 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.443 -2.937 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.090 -1.782 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.481 0.333 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.188 -0.251 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.956 -0.330 2.939 1.00 0.00 H new ATOM 327 N LYS A 21 -0.419 -4.741 4.445 1.00 0.00 N ATOM 328 CA LYS A 21 -1.424 -5.661 5.048 1.00 0.00 C ATOM 329 C LYS A 21 -1.665 -5.278 6.507 1.00 0.00 C ATOM 330 O LYS A 21 -2.782 -5.272 6.977 1.00 0.00 O ATOM 331 CB LYS A 21 -0.888 -7.091 4.991 1.00 0.00 C ATOM 332 CG LYS A 21 -1.925 -8.053 5.572 1.00 0.00 C ATOM 333 CD LYS A 21 -1.362 -8.705 6.836 1.00 0.00 C ATOM 334 CE LYS A 21 -2.505 -9.304 7.656 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.485 -8.728 9.030 1.00 0.00 N ATOM 0 H LYS A 21 0.479 -5.175 4.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.360 -5.588 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.662 -7.364 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.044 -7.163 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.845 -7.516 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.180 -8.817 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.646 -9.482 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.823 -7.966 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.461 -9.094 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.404 -10.388 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.262 -9.135 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.577 -8.950 9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.601 -7.696 8.976 1.00 0.00 H new ATOM 349 N LYS A 22 -0.627 -4.960 7.230 1.00 0.00 N ATOM 350 CA LYS A 22 -0.799 -4.578 8.650 1.00 0.00 C ATOM 351 C LYS A 22 -1.611 -3.289 8.709 1.00 0.00 C ATOM 352 O LYS A 22 -2.660 -3.217 9.317 1.00 0.00 O ATOM 353 CB LYS A 22 0.577 -4.341 9.266 1.00 0.00 C ATOM 354 CG LYS A 22 1.402 -5.627 9.185 1.00 0.00 C ATOM 355 CD LYS A 22 1.317 -6.378 10.515 1.00 0.00 C ATOM 356 CE LYS A 22 2.409 -7.448 10.567 1.00 0.00 C ATOM 357 NZ LYS A 22 1.828 -8.770 10.199 1.00 0.00 N ATOM 0 H LYS A 22 0.335 -4.950 6.892 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.314 -5.367 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.088 -3.535 8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.473 -4.028 10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.033 -6.257 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.441 -5.390 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.435 -5.682 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.335 -6.839 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.218 -7.191 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.840 -7.494 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.570 -9.497 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.071 -9.015 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.437 -8.721 9.237 1.00 0.00 H new ATOM 371 N GLU A 23 -1.125 -2.277 8.056 1.00 0.00 N ATOM 372 CA GLU A 23 -1.829 -0.979 8.020 1.00 0.00 C ATOM 373 C GLU A 23 -3.257 -1.210 7.535 1.00 0.00 C ATOM 374 O GLU A 23 -4.219 -1.055 8.261 1.00 0.00 O ATOM 375 CB GLU A 23 -1.102 -0.078 7.024 1.00 0.00 C ATOM 376 CG GLU A 23 0.348 0.125 7.469 1.00 0.00 C ATOM 377 CD GLU A 23 1.206 0.481 6.253 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.704 0.371 5.146 1.00 0.00 O ATOM 379 OE2 GLU A 23 2.350 0.857 6.448 1.00 0.00 O ATOM 0 H GLU A 23 -0.249 -2.299 7.535 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.846 -0.519 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.128 -0.525 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.608 0.885 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.404 0.920 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.726 -0.782 7.942 1.00 0.00 H new ATOM 386 N LEU A 24 -3.378 -1.589 6.300 1.00 0.00 N ATOM 387 CA LEU A 24 -4.709 -1.856 5.698 1.00 0.00 C ATOM 388 C LEU A 24 -5.411 -2.977 6.464 1.00 0.00 C ATOM 389 O LEU A 24 -6.583 -3.231 6.269 1.00 0.00 O ATOM 390 CB LEU A 24 -4.507 -2.308 4.249 1.00 0.00 C ATOM 391 CG LEU A 24 -3.920 -1.164 3.426 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.805 -1.710 2.532 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.017 -0.547 2.557 1.00 0.00 C ATOM 0 H LEU A 24 -2.591 -1.729 5.666 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.315 -0.951 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.841 -3.170 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.458 -2.625 3.821 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.515 -0.401 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.382 -0.898 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.025 -2.153 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.213 -2.469 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.599 0.270 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.421 -1.306 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.814 -0.164 3.194 1.00 0.00 H new ATOM 405 N ALA A 25 -4.704 -3.670 7.313 1.00 0.00 N ATOM 406 CA ALA A 25 -5.339 -4.786 8.053 1.00 0.00 C ATOM 407 C ALA A 25 -6.047 -5.681 7.040 1.00 0.00 C ATOM 408 O ALA A 25 -7.168 -6.107 7.235 1.00 0.00 O ATOM 409 CB ALA A 25 -6.338 -4.216 9.052 1.00 0.00 C ATOM 0 H ALA A 25 -3.719 -3.510 7.523 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.596 -5.367 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.810 -5.031 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.819 -3.560 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.101 -3.648 8.520 1.00 0.00 H new ATOM 415 N LEU A 26 -5.385 -5.956 5.951 1.00 0.00 N ATOM 416 CA LEU A 26 -5.983 -6.810 4.887 1.00 0.00 C ATOM 417 C LEU A 26 -6.284 -8.203 5.448 1.00 0.00 C ATOM 418 O LEU A 26 -5.765 -8.577 6.481 1.00 0.00 O ATOM 419 CB LEU A 26 -4.985 -6.917 3.732 1.00 0.00 C ATOM 420 CG LEU A 26 -4.574 -5.512 3.292 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.514 -5.607 2.201 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.797 -4.766 2.754 1.00 0.00 C ATOM 0 H LEU A 26 -4.443 -5.621 5.751 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.915 -6.369 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.108 -7.484 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.433 -7.456 2.897 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.166 -4.971 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.222 -4.604 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.642 -6.135 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.919 -6.150 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.503 -3.764 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.207 -5.307 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.553 -4.694 3.536 1.00 0.00 H new ATOM 434 N PRO A 27 -7.119 -8.931 4.748 1.00 0.00 N ATOM 435 CA PRO A 27 -7.508 -10.289 5.161 1.00 0.00 C ATOM 436 C PRO A 27 -6.277 -11.190 5.257 1.00 0.00 C ATOM 437 O PRO A 27 -5.153 -10.733 5.210 1.00 0.00 O ATOM 438 CB PRO A 27 -8.440 -10.785 4.052 1.00 0.00 C ATOM 439 CG PRO A 27 -8.653 -9.618 3.056 1.00 0.00 C ATOM 440 CD PRO A 27 -7.740 -8.464 3.493 1.00 0.00 C ATOM 0 HA PRO A 27 -7.987 -10.299 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.005 -11.646 3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.393 -11.109 4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.413 -9.933 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.696 -9.302 3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.987 -8.247 2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.308 -7.547 3.650 1.00 0.00 H new ATOM 448 N GLU A 28 -6.486 -12.469 5.386 1.00 0.00 N ATOM 449 CA GLU A 28 -5.335 -13.407 5.478 1.00 0.00 C ATOM 450 C GLU A 28 -4.920 -13.831 4.071 1.00 0.00 C ATOM 451 O GLU A 28 -3.822 -14.302 3.852 1.00 0.00 O ATOM 452 CB GLU A 28 -5.748 -14.642 6.275 1.00 0.00 C ATOM 453 CG GLU A 28 -6.060 -14.242 7.718 1.00 0.00 C ATOM 454 CD GLU A 28 -5.661 -15.378 8.661 1.00 0.00 C ATOM 455 OE1 GLU A 28 -5.732 -16.521 8.242 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.291 -15.085 9.786 1.00 0.00 O ATOM 0 H GLU A 28 -7.406 -12.906 5.432 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.500 -12.914 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.622 -15.106 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.948 -15.383 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.520 -13.332 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.123 -14.023 7.824 1.00 0.00 H new ATOM 463 N TYR A 29 -5.790 -13.667 3.112 1.00 0.00 N ATOM 464 CA TYR A 29 -5.436 -14.063 1.719 1.00 0.00 C ATOM 465 C TYR A 29 -4.982 -12.829 0.939 1.00 0.00 C ATOM 466 O TYR A 29 -4.885 -12.854 -0.272 1.00 0.00 O ATOM 467 CB TYR A 29 -6.642 -14.702 1.012 1.00 0.00 C ATOM 468 CG TYR A 29 -7.937 -14.254 1.652 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.352 -12.921 1.543 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.725 -15.177 2.351 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.554 -12.512 2.134 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.927 -14.767 2.940 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.341 -13.434 2.833 1.00 0.00 C ATOM 474 OH TYR A 29 -11.526 -13.030 3.414 1.00 0.00 O ATOM 0 H TYR A 29 -6.725 -13.278 3.231 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.629 -14.794 1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.638 -14.428 -0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.564 -15.788 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.745 -12.209 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.405 -16.205 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.874 -11.484 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.535 -15.480 3.477 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.949 -13.794 3.859 1.00 0.00 H new ATOM 484 N TYR A 30 -4.694 -11.750 1.619 1.00 0.00 N ATOM 485 CA TYR A 30 -4.240 -10.526 0.894 1.00 0.00 C ATOM 486 C TYR A 30 -3.190 -10.927 -0.143 1.00 0.00 C ATOM 487 O TYR A 30 -2.031 -11.108 0.172 1.00 0.00 O ATOM 488 CB TYR A 30 -3.624 -9.523 1.879 1.00 0.00 C ATOM 489 CG TYR A 30 -2.851 -8.470 1.110 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.343 -7.997 -0.113 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.640 -7.976 1.613 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.627 -7.032 -0.831 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.922 -7.007 0.894 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.417 -6.537 -0.328 1.00 0.00 C ATOM 495 OH TYR A 30 -0.714 -5.585 -1.038 1.00 0.00 O ATOM 0 H TYR A 30 -4.752 -11.663 2.634 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.095 -10.059 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.407 -9.053 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.963 -10.039 2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.276 -8.377 -0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.258 -8.341 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.008 -6.669 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.010 -6.625 1.283 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.214 -5.016 -0.416 1.00 0.00 H new ATOM 505 N GLY A 31 -3.584 -11.066 -1.377 1.00 0.00 N ATOM 506 CA GLY A 31 -2.603 -11.454 -2.426 1.00 0.00 C ATOM 507 C GLY A 31 -1.428 -10.476 -2.412 1.00 0.00 C ATOM 508 O GLY A 31 -0.460 -10.671 -1.705 1.00 0.00 O ATOM 0 H GLY A 31 -4.540 -10.928 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.247 -12.469 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.081 -11.450 -3.405 1.00 0.00 H new ATOM 512 N GLU A 32 -1.519 -9.424 -3.185 1.00 0.00 N ATOM 513 CA GLU A 32 -0.421 -8.407 -3.240 1.00 0.00 C ATOM 514 C GLU A 32 -0.459 -7.691 -4.594 1.00 0.00 C ATOM 515 O GLU A 32 0.166 -6.666 -4.783 1.00 0.00 O ATOM 516 CB GLU A 32 0.943 -9.087 -3.084 1.00 0.00 C ATOM 517 CG GLU A 32 0.982 -10.360 -3.932 1.00 0.00 C ATOM 518 CD GLU A 32 2.371 -10.517 -4.553 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.300 -9.914 -4.039 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.484 -11.236 -5.532 1.00 0.00 O ATOM 0 H GLU A 32 -2.316 -9.223 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.565 -7.693 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.737 -8.407 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.122 -9.330 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.747 -11.228 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.225 -10.311 -4.715 1.00 0.00 H new ATOM 527 N ASN A 33 -1.182 -8.227 -5.539 1.00 0.00 N ATOM 528 CA ASN A 33 -1.251 -7.580 -6.885 1.00 0.00 C ATOM 529 C ASN A 33 -2.230 -6.407 -6.846 1.00 0.00 C ATOM 530 O ASN A 33 -3.089 -6.329 -5.997 1.00 0.00 O ATOM 531 CB ASN A 33 -1.716 -8.579 -7.963 1.00 0.00 C ATOM 532 CG ASN A 33 -2.138 -9.914 -7.342 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.323 -10.797 -7.161 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.385 -10.099 -7.007 1.00 0.00 N ATOM 0 H ASN A 33 -1.728 -9.083 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.250 -7.230 -7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.552 -8.154 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.910 -8.747 -8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.676 -10.985 -6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.069 -9.358 -7.159 1.00 0.00 H new ATOM 541 N LEU A 34 -2.111 -5.501 -7.774 1.00 0.00 N ATOM 542 CA LEU A 34 -3.037 -4.334 -7.812 1.00 0.00 C ATOM 543 C LEU A 34 -4.472 -4.833 -7.745 1.00 0.00 C ATOM 544 O LEU A 34 -5.331 -4.246 -7.127 1.00 0.00 O ATOM 545 CB LEU A 34 -2.855 -3.610 -9.135 1.00 0.00 C ATOM 546 CG LEU A 34 -1.400 -3.164 -9.303 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.290 -2.238 -10.515 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.935 -2.415 -8.051 1.00 0.00 C ATOM 0 H LEU A 34 -1.408 -5.518 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.825 -3.670 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.138 -4.266 -9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.515 -2.743 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.772 -4.042 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.255 -1.919 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.613 -2.770 -11.410 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.923 -1.364 -10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.101 -2.101 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.564 -1.538 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.011 -3.072 -7.185 1.00 0.00 H new ATOM 560 N ASP A 35 -4.726 -5.908 -8.408 1.00 0.00 N ATOM 561 CA ASP A 35 -6.091 -6.487 -8.431 1.00 0.00 C ATOM 562 C ASP A 35 -6.536 -6.833 -7.014 1.00 0.00 C ATOM 563 O ASP A 35 -7.676 -6.636 -6.636 1.00 0.00 O ATOM 564 CB ASP A 35 -6.040 -7.775 -9.234 1.00 0.00 C ATOM 565 CG ASP A 35 -5.710 -7.461 -10.695 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.264 -6.506 -11.214 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.909 -8.180 -11.269 1.00 0.00 O ATOM 0 H ASP A 35 -4.034 -6.426 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.786 -5.769 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.288 -8.445 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.997 -8.292 -9.171 1.00 0.00 H new ATOM 572 N ALA A 36 -5.642 -7.362 -6.232 1.00 0.00 N ATOM 573 CA ALA A 36 -6.005 -7.749 -4.841 1.00 0.00 C ATOM 574 C ALA A 36 -5.984 -6.516 -3.965 1.00 0.00 C ATOM 575 O ALA A 36 -6.998 -6.068 -3.476 1.00 0.00 O ATOM 576 CB ALA A 36 -4.989 -8.749 -4.304 1.00 0.00 C ATOM 0 H ALA A 36 -4.673 -7.544 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.998 -8.199 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.258 -9.030 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.984 -9.637 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.997 -8.297 -4.306 1.00 0.00 H new ATOM 582 N LEU A 37 -4.822 -5.965 -3.783 1.00 0.00 N ATOM 583 CA LEU A 37 -4.681 -4.736 -2.957 1.00 0.00 C ATOM 584 C LEU A 37 -5.862 -3.822 -3.260 1.00 0.00 C ATOM 585 O LEU A 37 -6.582 -3.368 -2.385 1.00 0.00 O ATOM 586 CB LEU A 37 -3.386 -4.036 -3.361 1.00 0.00 C ATOM 587 CG LEU A 37 -3.416 -2.588 -2.872 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.436 -2.564 -1.342 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.176 -1.848 -3.379 1.00 0.00 C ATOM 0 H LEU A 37 -3.950 -6.318 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.659 -4.978 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.529 -4.558 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.268 -4.063 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.311 -2.097 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.457 -1.531 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.322 -3.087 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.543 -3.057 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.200 -0.816 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.279 -2.339 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.165 -1.861 -4.469 1.00 0.00 H new ATOM 601 N TRP A 38 -6.059 -3.567 -4.513 1.00 0.00 N ATOM 602 CA TRP A 38 -7.178 -2.712 -4.934 1.00 0.00 C ATOM 603 C TRP A 38 -8.463 -3.330 -4.437 1.00 0.00 C ATOM 604 O TRP A 38 -9.234 -2.717 -3.732 1.00 0.00 O ATOM 605 CB TRP A 38 -7.245 -2.650 -6.455 1.00 0.00 C ATOM 606 CG TRP A 38 -8.400 -1.795 -6.823 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.661 -2.232 -6.959 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.428 -0.369 -7.065 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.474 -1.160 -7.285 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.751 0.015 -7.360 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.436 0.613 -7.060 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.076 1.342 -7.638 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.747 1.941 -7.332 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.068 2.314 -7.622 1.00 0.00 C ATOM 0 H TRP A 38 -5.480 -3.923 -5.273 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.037 -1.709 -4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.321 -2.239 -6.862 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.361 -3.650 -6.873 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.989 -3.254 -6.834 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.478 -1.229 -7.449 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.414 0.338 -6.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.096 1.618 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.968 2.689 -7.320 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.306 3.346 -7.832 1.00 0.00 H new ATOM 625 N ASP A 39 -8.688 -4.553 -4.801 1.00 0.00 N ATOM 626 CA ASP A 39 -9.921 -5.243 -4.353 1.00 0.00 C ATOM 627 C ASP A 39 -10.125 -4.947 -2.869 1.00 0.00 C ATOM 628 O ASP A 39 -11.230 -4.963 -2.363 1.00 0.00 O ATOM 629 CB ASP A 39 -9.774 -6.748 -4.565 1.00 0.00 C ATOM 630 CG ASP A 39 -10.454 -7.149 -5.875 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.288 -6.433 -6.849 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.129 -8.165 -5.883 1.00 0.00 O ATOM 0 H ASP A 39 -8.069 -5.108 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.779 -4.891 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.719 -7.020 -4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.221 -7.289 -3.731 1.00 0.00 H new ATOM 637 N CYS A 40 -9.057 -4.669 -2.170 1.00 0.00 N ATOM 638 CA CYS A 40 -9.170 -4.363 -0.724 1.00 0.00 C ATOM 639 C CYS A 40 -9.618 -2.909 -0.529 1.00 0.00 C ATOM 640 O CYS A 40 -10.521 -2.631 0.234 1.00 0.00 O ATOM 641 CB CYS A 40 -7.806 -4.567 -0.068 1.00 0.00 C ATOM 642 SG CYS A 40 -7.032 -6.062 -0.734 1.00 0.00 S ATOM 0 H CYS A 40 -8.109 -4.642 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.907 -5.024 -0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.169 -3.702 -0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.920 -4.654 1.013 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.157 -6.076 -2.028 1.00 0.00 H new ATOM 648 N LEU A 41 -8.989 -1.974 -1.196 1.00 0.00 N ATOM 649 CA LEU A 41 -9.374 -0.554 -1.025 1.00 0.00 C ATOM 650 C LEU A 41 -10.831 -0.327 -1.447 1.00 0.00 C ATOM 651 O LEU A 41 -11.589 0.332 -0.764 1.00 0.00 O ATOM 652 CB LEU A 41 -8.459 0.304 -1.893 1.00 0.00 C ATOM 653 CG LEU A 41 -7.022 -0.209 -1.786 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.078 0.805 -2.412 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.658 -0.410 -0.313 1.00 0.00 C ATOM 0 H LEU A 41 -8.225 -2.140 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.275 -0.282 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.791 0.273 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.509 1.345 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.934 -1.160 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.053 0.442 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.338 0.945 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.165 1.756 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.634 -0.776 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.744 0.539 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.336 -1.137 0.133 1.00 0.00 H new ATOM 667 N THR A 42 -11.216 -0.837 -2.583 1.00 0.00 N ATOM 668 CA THR A 42 -12.600 -0.625 -3.074 1.00 0.00 C ATOM 669 C THR A 42 -13.593 -1.542 -2.353 1.00 0.00 C ATOM 670 O THR A 42 -14.768 -1.546 -2.665 1.00 0.00 O ATOM 671 CB THR A 42 -12.648 -0.910 -4.577 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.120 -2.205 -4.828 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.817 0.136 -5.323 1.00 0.00 C ATOM 0 H THR A 42 -10.623 -1.397 -3.196 1.00 0.00 H new ATOM 0 HA THR A 42 -12.882 0.408 -2.873 1.00 0.00 H new ATOM 0 HB THR A 42 -13.680 -0.865 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.420 -2.146 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.852 -0.068 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.223 1.129 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.784 0.093 -4.979 1.00 0.00 H new ATOM 681 N GLY A 43 -13.157 -2.321 -1.400 1.00 0.00 N ATOM 682 CA GLY A 43 -14.131 -3.214 -0.703 1.00 0.00 C ATOM 683 C GLY A 43 -13.472 -3.944 0.470 1.00 0.00 C ATOM 684 O GLY A 43 -13.414 -5.157 0.498 1.00 0.00 O ATOM 0 H GLY A 43 -12.191 -2.379 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.974 -2.625 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.531 -3.942 -1.409 1.00 0.00 H new ATOM 688 N TRP A 44 -12.991 -3.223 1.447 1.00 0.00 N ATOM 689 CA TRP A 44 -12.358 -3.888 2.618 1.00 0.00 C ATOM 690 C TRP A 44 -11.807 -2.830 3.575 1.00 0.00 C ATOM 691 O TRP A 44 -12.264 -2.685 4.691 1.00 0.00 O ATOM 692 CB TRP A 44 -11.215 -4.781 2.141 1.00 0.00 C ATOM 693 CG TRP A 44 -10.605 -5.472 3.316 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.565 -4.997 4.036 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.978 -6.743 3.922 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.271 -5.897 5.044 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.115 -6.990 5.016 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.969 -7.698 3.631 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.232 -8.142 5.795 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.089 -8.859 4.413 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.222 -9.080 5.492 1.00 0.00 C ATOM 0 H TRP A 44 -13.010 -2.204 1.483 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.104 -4.492 3.135 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.586 -5.515 1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.463 -4.184 1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.048 -4.067 3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.522 -5.769 5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.642 -7.538 2.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.562 -8.307 6.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.854 -9.586 4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.319 -9.975 6.089 1.00 0.00 H new ATOM 712 N VAL A 45 -10.820 -2.097 3.146 1.00 0.00 N ATOM 713 CA VAL A 45 -10.223 -1.055 4.019 1.00 0.00 C ATOM 714 C VAL A 45 -11.275 0.001 4.365 1.00 0.00 C ATOM 715 O VAL A 45 -12.190 0.251 3.607 1.00 0.00 O ATOM 716 CB VAL A 45 -9.056 -0.391 3.287 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.321 0.549 4.244 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.089 -1.468 2.786 1.00 0.00 C ATOM 0 H VAL A 45 -10.399 -2.177 2.220 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.866 -1.517 4.939 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.436 0.179 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.489 1.022 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.009 1.316 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.940 -0.020 5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.257 -0.996 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.709 -2.038 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.612 -2.138 2.103 1.00 0.00 H new ATOM 728 N GLU A 46 -11.145 0.631 5.502 1.00 0.00 N ATOM 729 CA GLU A 46 -12.132 1.679 5.889 1.00 0.00 C ATOM 730 C GLU A 46 -11.492 3.059 5.719 1.00 0.00 C ATOM 731 O GLU A 46 -10.362 3.284 6.105 1.00 0.00 O ATOM 732 CB GLU A 46 -12.569 1.489 7.347 1.00 0.00 C ATOM 733 CG GLU A 46 -11.482 0.751 8.131 1.00 0.00 C ATOM 734 CD GLU A 46 -11.973 0.486 9.555 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.500 1.405 10.160 1.00 0.00 O ATOM 736 OE2 GLU A 46 -11.815 -0.633 10.017 1.00 0.00 O ATOM 0 H GLU A 46 -10.399 0.465 6.178 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.010 1.597 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.764 2.459 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.501 0.925 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.238 -0.190 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.568 1.345 8.154 1.00 0.00 H new ATOM 743 N TYR A 47 -12.206 3.978 5.133 1.00 0.00 N ATOM 744 CA TYR A 47 -11.651 5.344 4.916 1.00 0.00 C ATOM 745 C TYR A 47 -12.466 6.346 5.746 1.00 0.00 C ATOM 746 O TYR A 47 -13.491 5.983 6.287 1.00 0.00 O ATOM 747 CB TYR A 47 -11.745 5.656 3.417 1.00 0.00 C ATOM 748 CG TYR A 47 -10.780 4.768 2.653 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.706 4.151 3.312 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.960 4.558 1.280 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.821 3.335 2.602 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.075 3.735 0.577 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.006 3.125 1.237 1.00 0.00 C ATOM 754 OH TYR A 47 -8.136 2.312 0.540 1.00 0.00 O ATOM 0 H TYR A 47 -13.158 3.841 4.792 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.609 5.409 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.763 5.493 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.510 6.705 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.563 4.307 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.782 5.032 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.992 2.866 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.219 3.570 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.216 2.506 0.815 1.00 0.00 H new ATOM 764 N PRO A 48 -11.996 7.574 5.854 1.00 0.00 N ATOM 765 CA PRO A 48 -10.748 8.064 5.212 1.00 0.00 C ATOM 766 C PRO A 48 -9.506 7.305 5.688 1.00 0.00 C ATOM 767 O PRO A 48 -9.357 6.993 6.853 1.00 0.00 O ATOM 768 CB PRO A 48 -10.646 9.537 5.631 1.00 0.00 C ATOM 769 CG PRO A 48 -11.861 9.861 6.534 1.00 0.00 C ATOM 770 CD PRO A 48 -12.707 8.586 6.655 1.00 0.00 C ATOM 0 HA PRO A 48 -10.788 7.921 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.714 9.717 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.640 10.184 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.529 10.194 7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.450 10.672 6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.799 8.272 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.718 8.747 6.280 1.00 0.00 H new ATOM 778 N LEU A 49 -8.604 7.026 4.781 1.00 0.00 N ATOM 779 CA LEU A 49 -7.352 6.309 5.150 1.00 0.00 C ATOM 780 C LEU A 49 -6.161 7.210 4.842 1.00 0.00 C ATOM 781 O LEU A 49 -6.219 8.063 3.981 1.00 0.00 O ATOM 782 CB LEU A 49 -7.231 5.020 4.311 1.00 0.00 C ATOM 783 CG LEU A 49 -5.756 4.606 4.142 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.210 4.073 5.466 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.646 3.520 3.069 1.00 0.00 C ATOM 0 H LEU A 49 -8.685 7.268 3.793 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.372 6.056 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.785 4.215 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.683 5.176 3.331 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.174 5.476 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.167 3.782 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.280 4.850 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.793 3.206 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.602 3.229 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.233 2.652 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.024 3.905 2.122 1.00 0.00 H new ATOM 797 N VAL A 50 -5.066 6.987 5.502 1.00 0.00 N ATOM 798 CA VAL A 50 -3.851 7.783 5.209 1.00 0.00 C ATOM 799 C VAL A 50 -2.775 6.810 4.718 1.00 0.00 C ATOM 800 O VAL A 50 -2.623 5.732 5.245 1.00 0.00 O ATOM 801 CB VAL A 50 -3.386 8.526 6.484 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.966 8.103 6.891 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.386 10.031 6.217 1.00 0.00 C ATOM 0 H VAL A 50 -4.960 6.285 6.234 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.050 8.536 4.446 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.073 8.274 7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.669 8.643 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.948 7.031 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.272 8.334 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.059 10.559 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.706 10.255 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.393 10.354 5.953 1.00 0.00 H new ATOM 813 N LEU A 51 -2.011 7.179 3.740 1.00 0.00 N ATOM 814 CA LEU A 51 -0.937 6.266 3.281 1.00 0.00 C ATOM 815 C LEU A 51 0.378 7.015 3.399 1.00 0.00 C ATOM 816 O LEU A 51 0.901 7.535 2.435 1.00 0.00 O ATOM 817 CB LEU A 51 -1.152 5.821 1.829 1.00 0.00 C ATOM 818 CG LEU A 51 -0.042 4.837 1.443 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.216 3.538 2.228 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.119 4.515 -0.048 1.00 0.00 C ATOM 0 H LEU A 51 -2.080 8.065 3.240 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.939 5.366 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.129 5.350 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.139 6.685 1.164 1.00 0.00 H new ATOM 0 HG LEU A 51 0.922 5.292 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.573 2.838 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.159 3.748 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.186 3.100 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.674 3.815 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.087 4.068 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.001 5.432 -0.625 1.00 0.00 H new ATOM 832 N GLU A 52 0.913 7.078 4.584 1.00 0.00 N ATOM 833 CA GLU A 52 2.192 7.800 4.777 1.00 0.00 C ATOM 834 C GLU A 52 3.305 6.910 4.249 1.00 0.00 C ATOM 835 O GLU A 52 3.938 6.164 4.973 1.00 0.00 O ATOM 836 CB GLU A 52 2.392 8.087 6.266 1.00 0.00 C ATOM 837 CG GLU A 52 3.817 8.591 6.504 1.00 0.00 C ATOM 838 CD GLU A 52 4.002 8.921 7.986 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.336 8.301 8.799 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.807 9.789 8.284 1.00 0.00 O ATOM 0 H GLU A 52 0.517 6.660 5.426 1.00 0.00 H new ATOM 0 HA GLU A 52 2.192 8.751 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.671 8.832 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.213 7.183 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.538 7.833 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.007 9.476 5.897 1.00 0.00 H new ATOM 847 N TRP A 53 3.520 6.975 2.968 1.00 0.00 N ATOM 848 CA TRP A 53 4.558 6.136 2.331 1.00 0.00 C ATOM 849 C TRP A 53 5.938 6.726 2.614 1.00 0.00 C ATOM 850 O TRP A 53 6.322 7.730 2.050 1.00 0.00 O ATOM 851 CB TRP A 53 4.301 6.109 0.826 1.00 0.00 C ATOM 852 CG TRP A 53 4.950 4.907 0.242 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.262 4.608 0.368 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.355 3.837 -0.551 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.515 3.429 -0.300 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.374 2.916 -0.880 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.046 3.576 -1.016 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.118 1.783 -1.637 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.786 2.424 -1.787 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.823 1.532 -2.095 1.00 0.00 C ATOM 0 H TRP A 53 3.010 7.585 2.329 1.00 0.00 H new ATOM 0 HA TRP A 53 4.522 5.123 2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.229 6.091 0.628 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.696 7.012 0.361 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.992 5.196 0.904 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.434 2.990 -0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.244 4.260 -0.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.918 1.096 -1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.785 2.228 -2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.620 0.651 -2.686 1.00 0.00 H new ATOM 871 N ARG A 54 6.688 6.113 3.487 1.00 0.00 N ATOM 872 CA ARG A 54 8.040 6.646 3.806 1.00 0.00 C ATOM 873 C ARG A 54 9.081 5.983 2.904 1.00 0.00 C ATOM 874 O ARG A 54 9.159 4.775 2.814 1.00 0.00 O ATOM 875 CB ARG A 54 8.371 6.347 5.270 1.00 0.00 C ATOM 876 CG ARG A 54 7.338 7.019 6.176 1.00 0.00 C ATOM 877 CD ARG A 54 8.012 8.132 6.982 1.00 0.00 C ATOM 878 NE ARG A 54 8.841 7.530 8.063 1.00 0.00 N ATOM 879 CZ ARG A 54 9.734 8.255 8.681 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.356 9.193 9.505 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.004 8.041 8.474 1.00 0.00 N ATOM 0 H ARG A 54 6.423 5.267 3.992 1.00 0.00 H new ATOM 0 HA ARG A 54 8.052 7.723 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.374 5.270 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.371 6.710 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.526 7.430 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.897 6.284 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.635 8.743 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.258 8.792 7.412 1.00 0.00 H new ATOM 0 HE ARG A 54 8.711 6.552 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.363 9.360 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.054 9.759 9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.299 7.308 7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.702 8.607 8.957 1.00 0.00 H new ATOM 895 N GLN A 55 9.887 6.766 2.242 1.00 0.00 N ATOM 896 CA GLN A 55 10.932 6.182 1.355 1.00 0.00 C ATOM 897 C GLN A 55 10.304 5.679 0.052 1.00 0.00 C ATOM 898 O GLN A 55 10.228 4.491 -0.190 1.00 0.00 O ATOM 899 CB GLN A 55 11.611 5.015 2.074 1.00 0.00 C ATOM 900 CG GLN A 55 13.039 4.853 1.552 1.00 0.00 C ATOM 901 CD GLN A 55 14.031 5.242 2.649 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.230 6.410 2.919 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.668 4.306 3.298 1.00 0.00 N ATOM 0 H GLN A 55 9.867 7.785 2.277 1.00 0.00 H new ATOM 0 HA GLN A 55 11.667 6.952 1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.624 5.195 3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.047 4.097 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.209 3.822 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.189 5.479 0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.502 3.325 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.332 4.555 4.031 1.00 0.00 H new ATOM 912 N PHE A 56 9.871 6.570 -0.798 1.00 0.00 N ATOM 913 CA PHE A 56 9.270 6.132 -2.091 1.00 0.00 C ATOM 914 C PHE A 56 10.368 6.108 -3.156 1.00 0.00 C ATOM 915 O PHE A 56 11.325 6.852 -3.076 1.00 0.00 O ATOM 916 CB PHE A 56 8.168 7.105 -2.505 1.00 0.00 C ATOM 917 CG PHE A 56 7.159 6.382 -3.366 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.094 5.692 -2.772 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.288 6.402 -4.760 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.160 5.023 -3.572 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.355 5.732 -5.559 1.00 0.00 C ATOM 922 CZ PHE A 56 5.291 5.042 -4.965 1.00 0.00 C ATOM 0 H PHE A 56 9.907 7.579 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 56 8.836 5.138 -1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.680 7.517 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.596 7.944 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.994 5.676 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.108 6.935 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.338 4.492 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.455 5.747 -6.634 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.571 4.524 -5.582 1.00 0.00 H new ATOM 932 N GLU A 57 10.247 5.243 -4.133 1.00 0.00 N ATOM 933 CA GLU A 57 11.295 5.136 -5.196 1.00 0.00 C ATOM 934 C GLU A 57 12.397 4.211 -4.685 1.00 0.00 C ATOM 935 O GLU A 57 12.815 3.288 -5.355 1.00 0.00 O ATOM 936 CB GLU A 57 11.888 6.508 -5.502 1.00 0.00 C ATOM 937 CG GLU A 57 12.242 6.597 -6.988 1.00 0.00 C ATOM 938 CD GLU A 57 13.640 7.198 -7.144 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.485 6.904 -6.315 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.841 7.942 -8.089 1.00 0.00 O ATOM 0 H GLU A 57 9.461 4.602 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 57 10.851 4.741 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.175 7.290 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.778 6.673 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.208 5.606 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.510 7.212 -7.511 1.00 0.00 H new ATOM 947 N GLN A 58 12.845 4.439 -3.481 1.00 0.00 N ATOM 948 CA GLN A 58 13.878 3.571 -2.887 1.00 0.00 C ATOM 949 C GLN A 58 13.203 2.248 -2.546 1.00 0.00 C ATOM 950 O GLN A 58 13.837 1.219 -2.434 1.00 0.00 O ATOM 951 CB GLN A 58 14.425 4.225 -1.618 1.00 0.00 C ATOM 952 CG GLN A 58 15.001 5.601 -1.960 1.00 0.00 C ATOM 953 CD GLN A 58 16.378 5.435 -2.603 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.557 5.731 -3.767 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.367 4.971 -1.888 1.00 0.00 N ATOM 0 H GLN A 58 12.529 5.202 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 58 14.709 3.414 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.632 4.325 -0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.197 3.596 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.332 6.128 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.080 6.208 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.217 4.722 -0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.290 4.857 -2.307 1.00 0.00 H new ATOM 964 N SER A 59 11.900 2.282 -2.410 1.00 0.00 N ATOM 965 CA SER A 59 11.134 1.045 -2.116 1.00 0.00 C ATOM 966 C SER A 59 10.682 0.441 -3.448 1.00 0.00 C ATOM 967 O SER A 59 10.044 -0.592 -3.493 1.00 0.00 O ATOM 968 CB SER A 59 9.912 1.385 -1.262 1.00 0.00 C ATOM 969 OG SER A 59 10.342 1.815 0.023 1.00 0.00 O ATOM 0 H SER A 59 11.334 3.127 -2.492 1.00 0.00 H new ATOM 0 HA SER A 59 11.755 0.335 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.325 2.168 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.265 0.513 -1.169 1.00 0.00 H new ATOM 0 HG SER A 59 10.161 2.773 0.125 1.00 0.00 H new ATOM 975 N LYS A 60 11.028 1.079 -4.540 1.00 0.00 N ATOM 976 CA LYS A 60 10.644 0.548 -5.875 1.00 0.00 C ATOM 977 C LYS A 60 11.774 -0.334 -6.423 1.00 0.00 C ATOM 978 O LYS A 60 11.536 -1.383 -6.988 1.00 0.00 O ATOM 979 CB LYS A 60 10.416 1.716 -6.838 1.00 0.00 C ATOM 980 CG LYS A 60 8.917 1.936 -7.035 1.00 0.00 C ATOM 981 CD LYS A 60 8.460 3.119 -6.180 1.00 0.00 C ATOM 982 CE LYS A 60 7.517 2.617 -5.088 1.00 0.00 C ATOM 983 NZ LYS A 60 8.062 2.983 -3.751 1.00 0.00 N ATOM 0 H LYS A 60 11.562 1.948 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 60 9.731 -0.040 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.877 2.621 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.892 1.508 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.702 2.128 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.367 1.037 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.322 3.614 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.955 3.858 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.527 3.053 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.402 1.536 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.646 2.365 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.095 2.867 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.826 3.973 -3.539 1.00 0.00 H new ATOM 1083 N ALA A 67 6.995 -0.874 -5.905 1.00 0.00 N ATOM 1084 CA ALA A 67 5.718 -0.532 -5.229 1.00 0.00 C ATOM 1085 C ALA A 67 4.926 0.476 -6.064 1.00 0.00 C ATOM 1086 O ALA A 67 3.736 0.638 -5.888 1.00 0.00 O ATOM 1087 CB ALA A 67 6.058 0.086 -3.886 1.00 0.00 C ATOM 0 HA ALA A 67 5.110 -1.428 -5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.138 0.349 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.623 -0.630 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.657 0.983 -4.040 1.00 0.00 H new ATOM 1093 N GLU A 68 5.586 1.163 -6.956 1.00 0.00 N ATOM 1094 CA GLU A 68 4.898 2.178 -7.806 1.00 0.00 C ATOM 1095 C GLU A 68 3.485 1.706 -8.164 1.00 0.00 C ATOM 1096 O GLU A 68 2.585 2.501 -8.349 1.00 0.00 O ATOM 1097 CB GLU A 68 5.704 2.375 -9.089 1.00 0.00 C ATOM 1098 CG GLU A 68 6.171 3.825 -9.171 1.00 0.00 C ATOM 1099 CD GLU A 68 6.960 4.038 -10.464 1.00 0.00 C ATOM 1100 OE1 GLU A 68 6.988 3.127 -11.274 1.00 0.00 O ATOM 1101 OE2 GLU A 68 7.522 5.109 -10.622 1.00 0.00 O ATOM 0 H GLU A 68 6.585 1.063 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 68 4.825 3.116 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.562 1.703 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.094 2.127 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.313 4.496 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.793 4.066 -8.309 1.00 0.00 H new ATOM 1108 N SER A 69 3.283 0.422 -8.265 1.00 0.00 N ATOM 1109 CA SER A 69 1.929 -0.097 -8.613 1.00 0.00 C ATOM 1110 C SER A 69 0.997 0.039 -7.403 1.00 0.00 C ATOM 1111 O SER A 69 -0.093 0.570 -7.501 1.00 0.00 O ATOM 1112 CB SER A 69 2.040 -1.569 -9.010 1.00 0.00 C ATOM 1113 OG SER A 69 2.841 -1.680 -10.179 1.00 0.00 O ATOM 0 H SER A 69 3.997 -0.292 -8.122 1.00 0.00 H new ATOM 0 HA SER A 69 1.522 0.477 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.481 -2.145 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.049 -1.984 -9.193 1.00 0.00 H new ATOM 0 HG SER A 69 2.916 -2.623 -10.436 1.00 0.00 H new ATOM 1119 N VAL A 70 1.421 -0.429 -6.261 1.00 0.00 N ATOM 1120 CA VAL A 70 0.573 -0.325 -5.046 1.00 0.00 C ATOM 1121 C VAL A 70 0.174 1.134 -4.859 1.00 0.00 C ATOM 1122 O VAL A 70 -0.960 1.449 -4.557 1.00 0.00 O ATOM 1123 CB VAL A 70 1.381 -0.807 -3.839 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.631 -0.491 -2.546 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.594 -2.318 -3.944 1.00 0.00 C ATOM 0 H VAL A 70 2.324 -0.881 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.323 -0.938 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 70 2.344 -0.297 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.214 -0.838 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.478 0.585 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.336 -0.995 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.169 -2.665 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.627 -2.821 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.137 -2.546 -4.861 1.00 0.00 H new ATOM 1135 N LEU A 71 1.100 2.026 -5.050 1.00 0.00 N ATOM 1136 CA LEU A 71 0.786 3.472 -4.901 1.00 0.00 C ATOM 1137 C LEU A 71 -0.210 3.873 -5.980 1.00 0.00 C ATOM 1138 O LEU A 71 -1.101 4.656 -5.752 1.00 0.00 O ATOM 1139 CB LEU A 71 2.057 4.283 -5.084 1.00 0.00 C ATOM 1140 CG LEU A 71 1.709 5.769 -5.167 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.203 6.253 -3.808 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.958 6.563 -5.559 1.00 0.00 C ATOM 0 H LEU A 71 2.065 1.816 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 71 0.367 3.658 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.737 4.104 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.574 3.969 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 71 0.932 5.918 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.955 7.313 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.314 5.688 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.979 6.104 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.711 7.623 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.735 6.413 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.318 6.219 -6.529 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.062 3.337 -7.158 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.007 3.678 -8.256 1.00 0.00 C ATOM 1156 C GLN A 72 -2.404 3.236 -7.845 1.00 0.00 C ATOM 1157 O GLN A 72 -3.396 3.818 -8.227 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.555 2.958 -9.547 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.628 1.986 -10.064 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.225 1.469 -11.446 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -1.783 1.877 -12.445 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -0.273 0.583 -11.546 1.00 0.00 N ATOM 0 H GLN A 72 0.674 2.676 -7.408 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.017 4.752 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.333 3.697 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.368 2.411 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.743 1.152 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.593 2.489 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.195 0.241 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.003 0.232 -12.463 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.476 2.195 -7.083 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.781 1.680 -6.641 1.00 0.00 C ATOM 1173 C VAL A 73 -4.282 2.500 -5.457 1.00 0.00 C ATOM 1174 O VAL A 73 -5.468 2.673 -5.274 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.596 0.228 -6.247 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.823 -0.280 -5.489 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.363 -0.583 -7.524 1.00 0.00 C ATOM 0 H VAL A 73 -1.670 1.671 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.519 1.756 -7.439 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.739 0.122 -5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.674 -1.324 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.967 0.316 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.704 -0.195 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.227 -1.634 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.225 -0.479 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.471 -0.215 -8.031 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.398 3.012 -4.651 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.862 3.828 -3.494 1.00 0.00 C ATOM 1189 C PHE A 74 -4.383 5.170 -4.022 1.00 0.00 C ATOM 1190 O PHE A 74 -5.378 5.699 -3.559 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.701 4.064 -2.522 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.745 3.029 -1.425 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.724 3.108 -0.427 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.806 1.991 -1.404 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.762 2.150 0.592 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.845 1.033 -0.385 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.822 1.113 0.614 1.00 0.00 C ATOM 0 H PHE A 74 -2.388 2.904 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.657 3.303 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.751 4.006 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.768 5.065 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.449 3.908 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.052 1.930 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.517 2.211 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.121 0.232 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.851 0.375 1.402 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.723 5.708 -5.009 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.159 6.995 -5.597 1.00 0.00 C ATOM 1209 C ARG A 75 -5.407 6.750 -6.428 1.00 0.00 C ATOM 1210 O ARG A 75 -6.401 7.417 -6.282 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.058 7.534 -6.503 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.717 7.488 -5.768 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.199 8.911 -5.559 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.454 9.351 -6.773 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.177 10.614 -6.946 1.00 0.00 C ATOM 1216 NH1 ARG A 75 0.295 11.320 -5.956 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -0.373 11.171 -8.110 1.00 0.00 N ATOM 0 H ARG A 75 -2.890 5.302 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.367 7.715 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.003 6.942 -7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.286 8.558 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.834 6.988 -4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.995 6.908 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.031 9.588 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.547 8.948 -4.686 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.161 8.665 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.448 10.885 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.512 12.307 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.743 10.619 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.157 12.158 -8.246 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.345 5.780 -7.293 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.512 5.437 -8.152 1.00 0.00 C ATOM 1233 C GLU A 76 -7.736 5.246 -7.260 1.00 0.00 C ATOM 1234 O GLU A 76 -8.789 5.797 -7.504 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.210 4.129 -8.868 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.589 4.401 -10.238 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.647 4.210 -11.326 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.096 3.088 -11.497 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.990 5.187 -11.971 1.00 0.00 O ATOM 0 H GLU A 76 -4.520 5.199 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.701 6.229 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.529 3.527 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.127 3.552 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.194 5.416 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.750 3.726 -10.409 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.596 4.473 -6.214 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.734 4.264 -5.293 1.00 0.00 C ATOM 1248 C ALA A 77 -9.104 5.632 -4.733 1.00 0.00 C ATOM 1249 O ALA A 77 -10.262 5.976 -4.602 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.329 3.316 -4.159 1.00 0.00 C ATOM 0 H ALA A 77 -6.739 3.980 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.580 3.814 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.175 3.170 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.028 2.356 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.496 3.747 -3.604 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.113 6.435 -4.443 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.389 7.807 -3.942 1.00 0.00 C ATOM 1258 C LYS A 78 -9.212 8.528 -5.001 1.00 0.00 C ATOM 1259 O LYS A 78 -10.010 9.401 -4.724 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.066 8.546 -3.785 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.130 9.484 -2.578 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.459 10.814 -2.930 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.291 11.545 -3.987 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.519 12.707 -4.510 1.00 0.00 N ATOM 0 H LYS A 78 -7.125 6.196 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.916 7.771 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.254 7.831 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.849 9.117 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.168 9.653 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.632 9.028 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.363 11.432 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.451 10.636 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.542 10.865 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.232 11.885 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.084 13.204 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.301 13.358 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.633 12.371 -4.938 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.990 8.151 -6.224 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.695 8.761 -7.366 1.00 0.00 C ATOM 1280 C ALA A 79 -11.102 8.183 -7.450 1.00 0.00 C ATOM 1281 O ALA A 79 -12.022 8.800 -7.950 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.921 8.399 -8.628 1.00 0.00 C ATOM 0 H ALA A 79 -8.326 7.421 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.761 9.843 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.416 8.835 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.905 8.788 -8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.888 7.315 -8.736 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.257 6.984 -6.976 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.572 6.305 -7.021 1.00 0.00 C ATOM 1290 C GLU A 80 -13.494 6.800 -5.896 1.00 0.00 C ATOM 1291 O GLU A 80 -14.334 6.067 -5.413 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.334 4.803 -6.870 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.132 4.186 -8.253 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.330 4.517 -9.145 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.429 4.117 -8.800 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.127 5.164 -10.159 1.00 0.00 O ATOM 0 H GLU A 80 -10.510 6.435 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.061 6.528 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.459 4.622 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.183 4.336 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.215 4.568 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.018 3.105 -8.167 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.360 8.031 -5.479 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.245 8.549 -4.395 1.00 0.00 C ATOM 1305 C GLY A 81 -13.675 8.170 -3.026 1.00 0.00 C ATOM 1306 O GLY A 81 -14.010 8.764 -2.021 1.00 0.00 O ATOM 0 H GLY A 81 -12.678 8.698 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.334 9.633 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.248 8.138 -4.506 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.817 7.189 -2.975 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.234 6.780 -1.672 1.00 0.00 C ATOM 1312 C CYS A 82 -11.562 7.985 -1.015 1.00 0.00 C ATOM 1313 O CYS A 82 -11.059 8.868 -1.682 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.201 5.681 -1.909 1.00 0.00 C ATOM 1315 SG CYS A 82 -11.890 4.431 -3.022 1.00 0.00 S ATOM 0 H CYS A 82 -12.496 6.654 -3.782 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.021 6.406 -1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.295 6.106 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.919 5.223 -0.961 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.498 4.669 -4.238 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.555 8.037 0.289 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.923 9.191 0.981 1.00 0.00 C ATOM 1323 C ASP A 83 -9.555 8.786 1.541 1.00 0.00 C ATOM 1324 O ASP A 83 -9.287 8.931 2.717 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.833 9.656 2.118 1.00 0.00 C ATOM 1326 CG ASP A 83 -11.361 11.019 2.628 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.384 11.522 2.097 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.985 11.538 3.539 1.00 0.00 O ATOM 0 H ASP A 83 -11.960 7.330 0.903 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.782 10.005 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.863 9.724 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.819 8.928 2.929 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.681 8.301 0.700 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.319 7.908 1.167 1.00 0.00 C ATOM 1335 C ILE A 84 -6.413 9.140 1.062 1.00 0.00 C ATOM 1336 O ILE A 84 -6.727 10.084 0.365 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.775 6.802 0.263 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.523 5.505 0.532 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.287 6.589 0.535 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.054 4.969 -0.793 1.00 0.00 C ATOM 0 H ILE A 84 -8.853 8.159 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.355 7.545 2.194 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.914 7.097 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.861 4.775 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.345 5.679 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.908 5.799 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.745 7.513 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.145 6.302 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.594 4.038 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.728 5.701 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.221 4.784 -1.471 1.00 0.00 H new ATOM 1352 N THR A 85 -5.301 9.155 1.742 1.00 0.00 N ATOM 1353 CA THR A 85 -4.407 10.347 1.660 1.00 0.00 C ATOM 1354 C THR A 85 -2.980 9.905 1.333 1.00 0.00 C ATOM 1355 O THR A 85 -2.150 9.766 2.207 1.00 0.00 O ATOM 1356 CB THR A 85 -4.417 11.085 3.001 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.760 11.345 3.386 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.658 12.405 2.864 1.00 0.00 C ATOM 0 H THR A 85 -4.973 8.402 2.346 1.00 0.00 H new ATOM 0 HA THR A 85 -4.766 11.011 0.874 1.00 0.00 H new ATOM 0 HB THR A 85 -3.934 10.469 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.769 11.816 4.245 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.666 12.930 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.628 12.204 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.138 13.024 2.106 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.685 9.691 0.079 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.306 9.263 -0.296 1.00 0.00 C ATOM 1368 C ILE A 86 -0.292 10.256 0.271 1.00 0.00 C ATOM 1369 O ILE A 86 0.075 11.219 -0.372 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.168 9.219 -1.821 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.431 8.612 -2.441 1.00 0.00 C ATOM 1372 CG2 ILE A 86 0.041 8.361 -2.195 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.824 7.350 -1.672 1.00 0.00 C ATOM 0 H ILE A 86 -3.336 9.793 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.119 8.270 0.112 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.033 10.232 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.246 9.336 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.254 8.371 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.142 8.328 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.942 8.793 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.098 7.350 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.722 6.919 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.011 6.625 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.019 7.605 -0.630 1.00 0.00 H new ATOM 1385 N ILE A 87 0.167 10.030 1.470 1.00 0.00 N ATOM 1386 CA ILE A 87 1.160 10.961 2.072 1.00 0.00 C ATOM 1387 C ILE A 87 2.573 10.466 1.750 1.00 0.00 C ATOM 1388 O ILE A 87 3.131 9.642 2.448 1.00 0.00 O ATOM 1389 CB ILE A 87 0.958 11.012 3.588 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.323 11.789 3.902 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.150 11.714 4.243 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.401 12.060 5.406 1.00 0.00 C ATOM 0 H ILE A 87 -0.102 9.242 2.058 1.00 0.00 H new ATOM 0 HA ILE A 87 1.025 11.962 1.661 1.00 0.00 H new ATOM 0 HB ILE A 87 0.878 9.997 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.334 12.730 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.195 11.220 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.003 11.749 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.064 11.164 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.232 12.729 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.313 12.613 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.409 11.113 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.464 12.647 5.715 1.00 0.00 H new ATOM 1404 N LEU A 88 3.149 10.962 0.689 1.00 0.00 N ATOM 1405 CA LEU A 88 4.523 10.530 0.304 1.00 0.00 C ATOM 1406 C LEU A 88 5.551 11.275 1.158 1.00 0.00 C ATOM 1407 O LEU A 88 5.424 12.458 1.405 1.00 0.00 O ATOM 1408 CB LEU A 88 4.750 10.850 -1.172 1.00 0.00 C ATOM 1409 CG LEU A 88 3.646 10.215 -2.035 1.00 0.00 C ATOM 1410 CD1 LEU A 88 4.252 9.769 -3.359 1.00 0.00 C ATOM 1411 CD2 LEU A 88 3.038 8.989 -1.337 1.00 0.00 C ATOM 0 H LEU A 88 2.725 11.652 0.069 1.00 0.00 H new ATOM 0 HA LEU A 88 4.633 9.458 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.759 11.930 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.725 10.477 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 88 2.861 10.954 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.478 9.317 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.673 10.632 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.039 9.039 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.260 8.559 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.816 8.246 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.605 9.291 -0.383 1.00 0.00 H new ATOM 1423 N SER A 89 6.568 10.596 1.611 1.00 0.00 N ATOM 1424 CA SER A 89 7.600 11.271 2.449 1.00 0.00 C ATOM 1425 C SER A 89 8.952 10.585 2.243 1.00 0.00 C ATOM 1426 O SER A 89 9.132 9.974 1.203 1.00 0.00 O ATOM 1427 CB SER A 89 7.199 11.180 3.922 1.00 0.00 C ATOM 1428 OG SER A 89 6.399 12.305 4.261 1.00 0.00 O ATOM 1429 OXT SER A 89 9.784 10.683 3.130 1.00 0.00 O ATOM 0 H SER A 89 6.730 9.604 1.438 1.00 0.00 H new ATOM 0 HA SER A 89 7.677 12.319 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.647 10.258 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.088 11.148 4.552 1.00 0.00 H new ATOM 0 HG SER A 89 5.916 12.614 3.466 1.00 0.00 H new