USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0.0865 USER MOD Set 1.2: A 117 GLN : amide:sc= -2.18! C(o=-2.1!,f=-5.3!) USER MOD Set 2.1: A 46 THR OG1 : rot 67:sc= 0.428 USER MOD Set 2.2: A 47 HIS :FLIP no HD1:sc= 0.176 F(o=-4.5!,f=0.34) USER MOD Set 2.3: A 50 GLN : amide:sc= -0.265 K(o=0.34,f=-1.1) USER MOD Set 3.1: A 8 CYS SG : rot 138:sc= -0.381 USER MOD Set 3.2: A 34 CYS SG : rot 52:sc= 0.238 USER MOD Single : A 4 GLN : amide:sc= 0.00864 X(o=0.0086,f=-0.47) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 18 GLN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 20 CYS SG : rot 89:sc= -0.14 USER MOD Single : A 21 GLN : amide:sc= -4.62! C(o=-4.6!,f=-7.4!) USER MOD Single : A 25 SER OG : rot 57:sc= 0.727 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.26 F(o=-1,f=-0.26) USER MOD Single : A 32 GLN : amide:sc= -0.0939 X(o=-0.094,f=-0.094) USER MOD Single : A 36 SER OG : rot -144:sc= -0.368 USER MOD Single : A 39 MET CE :methyl -115:sc= -0.0367 (180deg=-0.53) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.14! USER MOD Single : A 45 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.9!) USER MOD Single : A 53 CYS SG : rot -33:sc= -1.19! USER MOD Single : A 60 ASN : amide:sc= -0.294 K(o=-0.29,f=-3.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 69 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.9!) USER MOD Single : A 71 CYS SG : rot 45:sc= -7.43! USER MOD Single : A 99 TYR OH : rot -8:sc= 1.05 USER MOD Single : A 100 HIS : +bothHN:sc= -20.4! C(o=-20!,f=-22!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 105 HIS : no HE2:sc= -3.46 K(o=-3.5,f=-4.5!) USER MOD Single : A 109 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-4) USER MOD Single : A 110 GLN : amide:sc= -1.59! C(o=-1.6!,f=-8.8!) USER MOD Single : A 113 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.1) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.442 3.999 16.024 1.00 0.00 N ATOM 51 CA GLN A 4 4.244 3.718 14.799 1.00 0.00 C ATOM 52 C GLN A 4 3.335 3.595 13.569 1.00 0.00 C ATOM 53 O GLN A 4 2.162 3.298 13.682 1.00 0.00 O ATOM 54 CB GLN A 4 4.940 2.393 15.099 1.00 0.00 C ATOM 55 CG GLN A 4 5.874 2.588 16.294 1.00 0.00 C ATOM 56 CD GLN A 4 6.678 1.313 16.539 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.168 0.219 16.396 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.925 1.411 16.908 1.00 0.00 N ATOM 0 HA GLN A 4 4.952 4.515 14.572 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.203 1.620 15.318 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.505 2.058 14.229 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.549 3.423 16.107 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.295 2.839 17.182 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.351 2.330 17.027 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.474 0.568 17.077 1.00 0.00 H new ATOM 67 N ILE A 5 3.867 3.822 12.393 1.00 0.00 N ATOM 68 CA ILE A 5 3.032 3.715 11.163 1.00 0.00 C ATOM 69 C ILE A 5 3.005 2.262 10.684 1.00 0.00 C ATOM 70 O ILE A 5 4.025 1.605 10.609 1.00 0.00 O ATOM 71 CB ILE A 5 3.720 4.611 10.134 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.826 6.034 10.686 1.00 0.00 C ATOM 73 CG2 ILE A 5 2.895 4.631 8.847 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.667 6.891 9.736 1.00 0.00 C ATOM 0 H ILE A 5 4.842 4.076 12.235 1.00 0.00 H new ATOM 0 HA ILE A 5 1.999 4.018 11.331 1.00 0.00 H new ATOM 0 HB ILE A 5 4.718 4.224 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.832 6.466 10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.281 6.018 11.677 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.384 5.270 8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.813 3.619 8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.899 5.019 9.059 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.742 7.904 10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.665 6.462 9.646 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.194 6.917 8.754 1.00 0.00 H new ATOM 86 N ALA A 6 1.849 1.751 10.360 1.00 0.00 N ATOM 87 CA ALA A 6 1.769 0.344 9.895 1.00 0.00 C ATOM 88 C ALA A 6 1.983 0.276 8.390 1.00 0.00 C ATOM 89 O ALA A 6 1.157 0.710 7.611 1.00 0.00 O ATOM 90 CB ALA A 6 0.361 -0.111 10.253 1.00 0.00 C ATOM 0 H ALA A 6 0.959 2.249 10.398 1.00 0.00 H new ATOM 0 HA ALA A 6 2.530 -0.286 10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.223 -1.146 9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.217 -0.035 11.331 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.366 0.522 9.745 1.00 0.00 H new ATOM 96 N ILE A 7 3.083 -0.274 7.975 1.00 0.00 N ATOM 97 CA ILE A 7 3.344 -0.380 6.512 1.00 0.00 C ATOM 98 C ILE A 7 3.497 -1.847 6.109 1.00 0.00 C ATOM 99 O ILE A 7 4.125 -2.627 6.793 1.00 0.00 O ATOM 100 CB ILE A 7 4.640 0.398 6.260 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.391 1.889 6.504 1.00 0.00 C ATOM 102 CG2 ILE A 7 5.093 0.191 4.811 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.564 2.707 5.955 1.00 0.00 C ATOM 0 H ILE A 7 3.812 -0.654 8.579 1.00 0.00 H new ATOM 0 HA ILE A 7 2.523 0.026 5.921 1.00 0.00 H new ATOM 0 HB ILE A 7 5.415 0.038 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.464 2.196 6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.272 2.077 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.015 0.746 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.268 -0.870 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.319 0.550 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.382 3.767 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.483 2.408 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.662 2.529 4.884 1.00 0.00 H new ATOM 115 N CYS A 8 2.926 -2.229 5.002 1.00 0.00 N ATOM 116 CA CYS A 8 3.043 -3.644 4.551 1.00 0.00 C ATOM 117 C CYS A 8 3.657 -3.676 3.155 1.00 0.00 C ATOM 118 O CYS A 8 3.082 -3.181 2.206 1.00 0.00 O ATOM 119 CB CYS A 8 1.609 -4.176 4.520 1.00 0.00 C ATOM 120 SG CYS A 8 1.635 -5.973 4.299 1.00 0.00 S ATOM 0 H CYS A 8 2.382 -1.622 4.389 1.00 0.00 H new ATOM 0 HA CYS A 8 3.676 -4.244 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.095 -3.920 5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.054 -3.707 3.708 1.00 0.00 H new ATOM 0 HG CYS A 8 0.751 -6.519 5.080 1.00 0.00 H new ATOM 126 N ILE A 9 4.827 -4.230 3.017 1.00 0.00 N ATOM 127 CA ILE A 9 5.464 -4.252 1.674 1.00 0.00 C ATOM 128 C ILE A 9 5.451 -5.646 1.064 1.00 0.00 C ATOM 129 O ILE A 9 5.693 -6.636 1.726 1.00 0.00 O ATOM 130 CB ILE A 9 6.902 -3.820 1.908 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.676 -3.945 0.598 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.533 -4.730 2.955 1.00 0.00 C ATOM 133 CD1 ILE A 9 9.085 -3.391 0.783 1.00 0.00 C ATOM 0 H ILE A 9 5.365 -4.664 3.767 1.00 0.00 H new ATOM 0 HA ILE A 9 4.928 -3.602 0.983 1.00 0.00 H new ATOM 0 HB ILE A 9 6.929 -2.788 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.722 -4.989 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.161 -3.401 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.565 -4.425 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.972 -4.656 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.513 -5.761 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.637 -3.481 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.028 -2.341 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.598 -3.954 1.562 1.00 0.00 H new ATOM 145 N TRP A 10 5.205 -5.722 -0.212 1.00 0.00 N ATOM 146 CA TRP A 10 5.216 -7.046 -0.888 1.00 0.00 C ATOM 147 C TRP A 10 6.293 -7.064 -1.967 1.00 0.00 C ATOM 148 O TRP A 10 6.160 -6.449 -3.007 1.00 0.00 O ATOM 149 CB TRP A 10 3.841 -7.226 -1.524 1.00 0.00 C ATOM 150 CG TRP A 10 3.899 -8.422 -2.422 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.796 -9.429 -2.302 1.00 0.00 C ATOM 152 CD2 TRP A 10 3.065 -8.754 -3.568 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.572 -10.353 -3.304 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.514 -9.985 -4.109 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.979 -8.115 -4.190 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.903 -10.562 -5.221 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.362 -8.692 -5.309 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.824 -9.913 -5.827 1.00 0.00 C ATOM 0 H TRP A 10 4.997 -4.926 -0.815 1.00 0.00 H new ATOM 0 HA TRP A 10 5.429 -7.848 -0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.081 -7.363 -0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.564 -6.337 -2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.563 -9.499 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 10 5.121 -11.203 -3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.617 -7.174 -3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.261 -11.503 -5.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.525 -8.194 -5.776 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.346 -10.349 -6.692 1.00 0.00 H new ATOM 169 N VAL A 11 7.354 -7.770 -1.728 1.00 0.00 N ATOM 170 CA VAL A 11 8.440 -7.837 -2.735 1.00 0.00 C ATOM 171 C VAL A 11 8.896 -9.279 -2.913 1.00 0.00 C ATOM 172 O VAL A 11 9.000 -10.028 -1.964 1.00 0.00 O ATOM 173 CB VAL A 11 9.564 -6.991 -2.150 1.00 0.00 C ATOM 174 CG1 VAL A 11 10.809 -7.126 -3.023 1.00 0.00 C ATOM 175 CG2 VAL A 11 9.124 -5.529 -2.108 1.00 0.00 C ATOM 0 H VAL A 11 7.518 -8.306 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 11 8.125 -7.478 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 11 9.793 -7.332 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.614 -6.521 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.119 -8.170 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.584 -6.783 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.925 -4.920 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.898 -5.188 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.234 -5.435 -1.486 1.00 0.00 H new ATOM 185 N GLU A 12 9.176 -9.674 -4.118 1.00 0.00 N ATOM 186 CA GLU A 12 9.633 -11.066 -4.335 1.00 0.00 C ATOM 187 C GLU A 12 11.158 -11.094 -4.466 1.00 0.00 C ATOM 188 O GLU A 12 11.769 -12.141 -4.550 1.00 0.00 O ATOM 189 CB GLU A 12 8.924 -11.520 -5.608 1.00 0.00 C ATOM 190 CG GLU A 12 7.413 -11.488 -5.364 1.00 0.00 C ATOM 191 CD GLU A 12 6.673 -11.954 -6.618 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.328 -12.183 -7.620 1.00 0.00 O ATOM 193 OE2 GLU A 12 5.460 -12.075 -6.552 1.00 0.00 O ATOM 0 H GLU A 12 9.109 -9.097 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 12 9.394 -11.734 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.187 -10.867 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.242 -12.527 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.158 -12.131 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.100 -10.478 -5.101 1.00 0.00 H new ATOM 200 N SER A 13 11.775 -9.943 -4.440 1.00 0.00 N ATOM 201 CA SER A 13 13.261 -9.875 -4.510 1.00 0.00 C ATOM 202 C SER A 13 13.769 -9.177 -3.245 1.00 0.00 C ATOM 203 O SER A 13 13.518 -8.008 -3.036 1.00 0.00 O ATOM 204 CB SER A 13 13.578 -9.035 -5.747 1.00 0.00 C ATOM 205 OG SER A 13 14.830 -9.446 -6.282 1.00 0.00 O ATOM 0 H SER A 13 11.307 -9.039 -4.373 1.00 0.00 H new ATOM 0 HA SER A 13 13.730 -10.857 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.793 -9.155 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.610 -7.977 -5.485 1.00 0.00 H new ATOM 0 HG SER A 13 15.037 -8.912 -7.077 1.00 0.00 H new ATOM 211 N THR A 14 14.453 -9.880 -2.386 1.00 0.00 N ATOM 212 CA THR A 14 14.934 -9.242 -1.124 1.00 0.00 C ATOM 213 C THR A 14 15.587 -7.886 -1.405 1.00 0.00 C ATOM 214 O THR A 14 15.446 -6.959 -0.635 1.00 0.00 O ATOM 215 CB THR A 14 15.957 -10.215 -0.547 1.00 0.00 C ATOM 216 OG1 THR A 14 15.475 -11.544 -0.689 1.00 0.00 O ATOM 217 CG2 THR A 14 16.180 -9.901 0.933 1.00 0.00 C ATOM 0 H THR A 14 14.700 -10.863 -2.500 1.00 0.00 H new ATOM 0 HA THR A 14 14.112 -9.052 -0.434 1.00 0.00 H new ATOM 0 HB THR A 14 16.901 -10.114 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.132 -12.171 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.911 -10.596 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.550 -8.881 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.238 -10.002 1.472 1.00 0.00 H new ATOM 225 N ALA A 15 16.300 -7.754 -2.490 1.00 0.00 N ATOM 226 CA ALA A 15 16.944 -6.441 -2.779 1.00 0.00 C ATOM 227 C ALA A 15 15.873 -5.355 -2.879 1.00 0.00 C ATOM 228 O ALA A 15 15.988 -4.300 -2.286 1.00 0.00 O ATOM 229 CB ALA A 15 17.661 -6.630 -4.114 1.00 0.00 C ATOM 0 H ALA A 15 16.463 -8.487 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 15 17.639 -6.133 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.160 -5.702 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.400 -7.426 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.935 -6.897 -4.882 1.00 0.00 H new ATOM 235 N ILE A 16 14.821 -5.612 -3.603 1.00 0.00 N ATOM 236 CA ILE A 16 13.732 -4.604 -3.713 1.00 0.00 C ATOM 237 C ILE A 16 13.078 -4.438 -2.340 1.00 0.00 C ATOM 238 O ILE A 16 12.769 -3.345 -1.909 1.00 0.00 O ATOM 239 CB ILE A 16 12.759 -5.199 -4.732 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.423 -5.216 -6.110 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.488 -4.354 -4.792 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.589 -6.069 -7.070 1.00 0.00 C ATOM 0 H ILE A 16 14.668 -6.476 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 16 14.074 -3.618 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 16 12.499 -6.215 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.513 -4.200 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.433 -5.618 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.800 -4.784 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.015 -4.338 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.741 -3.336 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.063 -6.081 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.522 -7.087 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.588 -5.647 -7.155 1.00 0.00 H new ATOM 254 N LEU A 17 12.896 -5.525 -1.639 1.00 0.00 N ATOM 255 CA LEU A 17 12.294 -5.452 -0.279 1.00 0.00 C ATOM 256 C LEU A 17 13.170 -4.575 0.621 1.00 0.00 C ATOM 257 O LEU A 17 12.686 -3.712 1.324 1.00 0.00 O ATOM 258 CB LEU A 17 12.277 -6.908 0.202 1.00 0.00 C ATOM 259 CG LEU A 17 12.248 -6.985 1.734 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.668 -6.837 2.283 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.354 -5.880 2.306 1.00 0.00 C ATOM 0 H LEU A 17 13.140 -6.464 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 17 11.297 -5.012 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.405 -7.419 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.158 -7.429 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 17 11.843 -7.952 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.645 -6.892 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.295 -7.639 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.078 -5.874 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.343 -5.947 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.742 -4.906 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.340 -5.999 1.925 1.00 0.00 H new ATOM 273 N GLN A 18 14.461 -4.776 0.592 1.00 0.00 N ATOM 274 CA GLN A 18 15.358 -3.937 1.437 1.00 0.00 C ATOM 275 C GLN A 18 15.315 -2.481 0.976 1.00 0.00 C ATOM 276 O GLN A 18 15.142 -1.576 1.767 1.00 0.00 O ATOM 277 CB GLN A 18 16.758 -4.513 1.238 1.00 0.00 C ATOM 278 CG GLN A 18 16.855 -5.878 1.916 1.00 0.00 C ATOM 279 CD GLN A 18 18.328 -6.243 2.111 1.00 0.00 C ATOM 280 OE1 GLN A 18 19.087 -5.474 2.668 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.769 -7.390 1.674 1.00 0.00 N ATOM 0 H GLN A 18 14.930 -5.481 0.023 1.00 0.00 H new ATOM 0 HA GLN A 18 15.057 -3.951 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.974 -4.609 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.503 -3.835 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.344 -5.856 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.358 -6.635 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.133 -8.036 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.750 -7.641 1.800 1.00 0.00 H new ATOM 290 N ASP A 19 15.472 -2.243 -0.299 1.00 0.00 N ATOM 291 CA ASP A 19 15.444 -0.836 -0.793 1.00 0.00 C ATOM 292 C ASP A 19 14.138 -0.163 -0.371 1.00 0.00 C ATOM 293 O ASP A 19 14.121 0.980 0.044 1.00 0.00 O ATOM 294 CB ASP A 19 15.524 -0.943 -2.319 1.00 0.00 C ATOM 295 CG ASP A 19 16.856 -1.581 -2.720 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.627 -1.902 -1.830 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.084 -1.734 -3.909 1.00 0.00 O ATOM 0 H ASP A 19 15.617 -2.955 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 19 16.261 -0.239 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.695 -1.542 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.433 0.046 -2.768 1.00 0.00 H new ATOM 302 N CYS A 20 13.041 -0.861 -0.474 1.00 0.00 N ATOM 303 CA CYS A 20 11.739 -0.257 -0.078 1.00 0.00 C ATOM 304 C CYS A 20 11.731 0.066 1.418 1.00 0.00 C ATOM 305 O CYS A 20 11.312 1.130 1.830 1.00 0.00 O ATOM 306 CB CYS A 20 10.697 -1.328 -0.397 1.00 0.00 C ATOM 307 SG CYS A 20 10.398 -1.374 -2.181 1.00 0.00 S ATOM 0 H CYS A 20 12.990 -1.821 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 20 11.543 0.678 -0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.044 -2.302 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.768 -1.115 0.132 1.00 0.00 H new ATOM 0 HG CYS A 20 11.231 -2.202 -2.739 1.00 0.00 H new ATOM 313 N GLN A 21 12.186 -0.843 2.237 1.00 0.00 N ATOM 314 CA GLN A 21 12.197 -0.582 3.705 1.00 0.00 C ATOM 315 C GLN A 21 13.342 0.362 4.079 1.00 0.00 C ATOM 316 O GLN A 21 13.234 1.141 4.999 1.00 0.00 O ATOM 317 CB GLN A 21 12.388 -1.950 4.357 1.00 0.00 C ATOM 318 CG GLN A 21 11.099 -2.768 4.223 1.00 0.00 C ATOM 319 CD GLN A 21 11.199 -4.028 5.087 1.00 0.00 C ATOM 320 OE1 GLN A 21 10.198 -4.628 5.423 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.372 -4.456 5.464 1.00 0.00 N ATOM 0 H GLN A 21 12.550 -1.753 1.954 1.00 0.00 H new ATOM 0 HA GLN A 21 11.278 -0.100 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.216 -2.477 3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.647 -1.830 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.242 -2.169 4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.936 -3.042 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.213 -3.953 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.448 -5.294 6.041 1.00 0.00 H new ATOM 330 N ARG A 22 14.434 0.307 3.375 1.00 0.00 N ATOM 331 CA ARG A 22 15.567 1.217 3.706 1.00 0.00 C ATOM 332 C ARG A 22 15.093 2.663 3.632 1.00 0.00 C ATOM 333 O ARG A 22 15.364 3.473 4.495 1.00 0.00 O ATOM 334 CB ARG A 22 16.593 0.965 2.612 1.00 0.00 C ATOM 335 CG ARG A 22 17.910 0.502 3.230 1.00 0.00 C ATOM 336 CD ARG A 22 17.688 -0.807 3.986 1.00 0.00 C ATOM 337 NE ARG A 22 19.033 -1.181 4.498 1.00 0.00 N ATOM 338 CZ ARG A 22 19.305 -2.428 4.765 1.00 0.00 C ATOM 339 NH1 ARG A 22 18.378 -3.341 4.657 1.00 0.00 N ATOM 340 NH2 ARG A 22 20.502 -2.761 5.161 1.00 0.00 N ATOM 0 H ARG A 22 14.593 -0.323 2.589 1.00 0.00 H new ATOM 0 HA ARG A 22 15.967 1.043 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.221 0.210 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.753 1.876 2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.659 0.361 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.294 1.265 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.976 -0.677 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.285 -1.579 3.331 1.00 0.00 H new ATOM 0 HE ARG A 22 19.743 -0.462 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.437 -3.080 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.595 -4.315 4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.223 -2.047 5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.717 -3.736 5.370 1.00 0.00 H new ATOM 354 N ALA A 23 14.384 2.981 2.591 1.00 0.00 N ATOM 355 CA ALA A 23 13.875 4.363 2.419 1.00 0.00 C ATOM 356 C ALA A 23 12.928 4.716 3.564 1.00 0.00 C ATOM 357 O ALA A 23 13.039 5.760 4.176 1.00 0.00 O ATOM 358 CB ALA A 23 13.130 4.321 1.089 1.00 0.00 C ATOM 0 H ALA A 23 14.133 2.334 1.843 1.00 0.00 H new ATOM 0 HA ALA A 23 14.665 5.114 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.714 5.305 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.820 4.036 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.323 3.591 1.147 1.00 0.00 H new ATOM 364 N LEU A 24 12.001 3.849 3.860 1.00 0.00 N ATOM 365 CA LEU A 24 11.048 4.126 4.968 1.00 0.00 C ATOM 366 C LEU A 24 11.736 3.881 6.308 1.00 0.00 C ATOM 367 O LEU A 24 11.872 4.776 7.116 1.00 0.00 O ATOM 368 CB LEU A 24 9.915 3.127 4.734 1.00 0.00 C ATOM 369 CG LEU A 24 9.252 3.485 3.408 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.181 2.470 3.029 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.610 4.845 3.559 1.00 0.00 C ATOM 0 H LEU A 24 11.863 2.959 3.381 1.00 0.00 H new ATOM 0 HA LEU A 24 10.688 5.155 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.302 2.108 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.192 3.171 5.548 1.00 0.00 H new ATOM 0 HG LEU A 24 10.008 3.486 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.729 2.756 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.633 1.483 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.414 2.445 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.128 5.126 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.866 4.810 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.373 5.582 3.809 1.00 0.00 H new ATOM 383 N SER A 25 12.175 2.670 6.508 1.00 0.00 N ATOM 384 CA SER A 25 12.891 2.258 7.765 1.00 0.00 C ATOM 385 C SER A 25 12.981 3.390 8.791 1.00 0.00 C ATOM 386 O SER A 25 14.007 4.019 8.958 1.00 0.00 O ATOM 387 CB SER A 25 14.287 1.853 7.305 1.00 0.00 C ATOM 388 OG SER A 25 14.325 0.446 7.115 1.00 0.00 O ATOM 0 H SER A 25 12.066 1.916 5.830 1.00 0.00 H new ATOM 0 HA SER A 25 12.355 1.453 8.268 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.540 2.365 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.028 2.152 8.046 1.00 0.00 H new ATOM 0 HG SER A 25 13.633 0.184 6.472 1.00 0.00 H new ATOM 394 N ALA A 26 11.913 3.632 9.486 1.00 0.00 N ATOM 395 CA ALA A 26 11.903 4.700 10.522 1.00 0.00 C ATOM 396 C ALA A 26 11.493 4.080 11.857 1.00 0.00 C ATOM 397 O ALA A 26 10.824 3.067 11.895 1.00 0.00 O ATOM 398 CB ALA A 26 10.856 5.714 10.049 1.00 0.00 C ATOM 0 H ALA A 26 11.032 3.129 9.381 1.00 0.00 H new ATOM 0 HA ALA A 26 12.875 5.175 10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.793 6.533 10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.144 6.107 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.885 5.225 9.971 1.00 0.00 H new ATOM 404 N ASP A 27 11.882 4.664 12.953 1.00 0.00 N ATOM 405 CA ASP A 27 11.498 4.077 14.265 1.00 0.00 C ATOM 406 C ASP A 27 9.975 4.025 14.365 1.00 0.00 C ATOM 407 O ASP A 27 9.417 3.322 15.183 1.00 0.00 O ATOM 408 CB ASP A 27 12.083 5.016 15.321 1.00 0.00 C ATOM 409 CG ASP A 27 13.530 5.357 14.952 1.00 0.00 C ATOM 410 OD1 ASP A 27 14.397 4.543 15.222 1.00 0.00 O ATOM 411 OD2 ASP A 27 13.744 6.427 14.404 1.00 0.00 O ATOM 0 H ASP A 27 12.444 5.514 12.999 1.00 0.00 H new ATOM 0 HA ASP A 27 11.870 3.061 14.396 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.488 5.927 15.384 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.048 4.544 16.303 1.00 0.00 H new ATOM 416 N ARG A 28 9.300 4.763 13.528 1.00 0.00 N ATOM 417 CA ARG A 28 7.813 4.760 13.562 1.00 0.00 C ATOM 418 C ARG A 28 7.253 4.026 12.339 1.00 0.00 C ATOM 419 O ARG A 28 6.154 4.291 11.902 1.00 0.00 O ATOM 420 CB ARG A 28 7.409 6.234 13.529 1.00 0.00 C ATOM 421 CG ARG A 28 7.886 6.862 12.219 1.00 0.00 C ATOM 422 CD ARG A 28 7.278 8.257 12.061 1.00 0.00 C ATOM 423 NE ARG A 28 8.273 9.001 11.239 1.00 0.00 N ATOM 424 CZ ARG A 28 8.059 10.247 10.915 1.00 0.00 C ATOM 425 NH1 ARG A 28 6.954 10.835 11.278 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.949 10.903 10.221 1.00 0.00 N ATOM 0 H ARG A 28 9.716 5.369 12.821 1.00 0.00 H new ATOM 0 HA ARG A 28 7.426 4.250 14.444 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.327 6.328 13.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.845 6.761 14.378 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.974 6.927 12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.598 6.232 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.307 8.214 11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.123 8.736 13.028 1.00 0.00 H new ATOM 0 HE ARG A 28 9.125 8.535 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.256 10.321 11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.787 11.809 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.812 10.442 9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.782 11.877 9.968 1.00 0.00 H new ATOM 440 N TYR A 29 7.991 3.105 11.781 1.00 0.00 N ATOM 441 CA TYR A 29 7.465 2.369 10.596 1.00 0.00 C ATOM 442 C TYR A 29 7.294 0.895 10.916 1.00 0.00 C ATOM 443 O TYR A 29 8.201 0.233 11.381 1.00 0.00 O ATOM 444 CB TYR A 29 8.499 2.537 9.486 1.00 0.00 C ATOM 445 CG TYR A 29 8.189 3.763 8.663 1.00 0.00 C ATOM 446 CD1 TYR A 29 6.863 4.155 8.444 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.231 4.518 8.128 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.588 5.296 7.695 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.961 5.660 7.382 1.00 0.00 C ATOM 450 CZ TYR A 29 7.637 6.057 7.163 1.00 0.00 C ATOM 451 OH TYR A 29 7.368 7.188 6.420 1.00 0.00 O ATOM 0 H TYR A 29 8.924 2.833 12.090 1.00 0.00 H new ATOM 0 HA TYR A 29 6.491 2.759 10.300 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.496 2.623 9.918 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.504 1.654 8.847 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.053 3.572 8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.254 4.214 8.294 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.564 5.595 7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.774 6.241 6.971 1.00 0.00 H new ATOM 0 HH TYR A 29 8.210 7.596 6.129 1.00 0.00 H new ATOM 461 N GLN A 30 6.145 0.370 10.632 1.00 0.00 N ATOM 462 CA GLN A 30 5.916 -1.078 10.880 1.00 0.00 C ATOM 463 C GLN A 30 5.807 -1.783 9.541 1.00 0.00 C ATOM 464 O GLN A 30 4.731 -2.030 9.032 1.00 0.00 O ATOM 465 CB GLN A 30 4.609 -1.173 11.665 1.00 0.00 C ATOM 466 CG GLN A 30 4.925 -1.214 13.155 1.00 0.00 C ATOM 467 CD GLN A 30 3.665 -0.881 13.955 1.00 0.00 C ATOM 468 OE1 GLN A 30 3.041 0.244 13.730 1.00 0.00 O flip ATOM 469 NE2 GLN A 30 3.242 -1.654 14.792 1.00 0.00 N flip ATOM 0 H GLN A 30 5.352 0.877 10.239 1.00 0.00 H new ATOM 0 HA GLN A 30 6.725 -1.546 11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.972 -0.318 11.439 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.059 -2.067 11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.294 -2.202 13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.716 -0.501 13.389 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.730 -2.533 14.968 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.399 -1.424 15.319 1.00 0.00 H new ATOM 478 N LEU A 31 6.925 -2.078 8.955 1.00 0.00 N ATOM 479 CA LEU A 31 6.919 -2.735 7.630 1.00 0.00 C ATOM 480 C LEU A 31 6.735 -4.241 7.776 1.00 0.00 C ATOM 481 O LEU A 31 7.474 -4.908 8.474 1.00 0.00 O ATOM 482 CB LEU A 31 8.290 -2.419 7.036 1.00 0.00 C ATOM 483 CG LEU A 31 8.610 -0.934 7.229 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.061 -0.787 7.680 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.412 -0.196 5.905 1.00 0.00 C ATOM 0 H LEU A 31 7.850 -1.890 9.341 1.00 0.00 H new ATOM 0 HA LEU A 31 6.102 -2.383 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.054 -3.030 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.303 -2.668 5.975 1.00 0.00 H new ATOM 0 HG LEU A 31 7.947 -0.511 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.294 0.269 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.205 -1.317 8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.722 -1.208 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.639 0.861 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.077 -0.617 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.378 -0.306 5.578 1.00 0.00 H new ATOM 497 N GLN A 32 5.771 -4.782 7.095 1.00 0.00 N ATOM 498 CA GLN A 32 5.552 -6.248 7.155 1.00 0.00 C ATOM 499 C GLN A 32 5.927 -6.836 5.801 1.00 0.00 C ATOM 500 O GLN A 32 5.246 -6.638 4.814 1.00 0.00 O ATOM 501 CB GLN A 32 4.063 -6.441 7.444 1.00 0.00 C ATOM 502 CG GLN A 32 3.756 -7.939 7.523 1.00 0.00 C ATOM 503 CD GLN A 32 4.342 -8.517 8.814 1.00 0.00 C ATOM 504 OE1 GLN A 32 3.831 -8.273 9.889 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.402 -9.277 8.754 1.00 0.00 N ATOM 0 H GLN A 32 5.122 -4.270 6.497 1.00 0.00 H new ATOM 0 HA GLN A 32 6.152 -6.740 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.796 -5.953 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.465 -5.976 6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.678 -8.101 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.177 -8.453 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.832 -9.483 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.800 -9.665 9.609 1.00 0.00 H new ATOM 514 N VAL A 33 7.024 -7.526 5.738 1.00 0.00 N ATOM 515 CA VAL A 33 7.464 -8.092 4.436 1.00 0.00 C ATOM 516 C VAL A 33 6.638 -9.317 4.062 1.00 0.00 C ATOM 517 O VAL A 33 6.438 -10.218 4.853 1.00 0.00 O ATOM 518 CB VAL A 33 8.926 -8.475 4.643 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.596 -8.634 3.281 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.636 -7.371 5.432 1.00 0.00 C ATOM 0 H VAL A 33 7.636 -7.724 6.529 1.00 0.00 H new ATOM 0 HA VAL A 33 7.336 -7.377 3.623 1.00 0.00 H new ATOM 0 HB VAL A 33 8.986 -9.412 5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.642 -8.908 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.088 -9.415 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.537 -7.693 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.681 -7.644 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.581 -6.434 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.152 -7.248 6.401 1.00 0.00 H new ATOM 530 N CYS A 34 6.173 -9.358 2.847 1.00 0.00 N ATOM 531 CA CYS A 34 5.376 -10.526 2.390 1.00 0.00 C ATOM 532 C CYS A 34 6.093 -11.178 1.211 1.00 0.00 C ATOM 533 O CYS A 34 6.239 -10.587 0.160 1.00 0.00 O ATOM 534 CB CYS A 34 4.027 -9.958 1.952 1.00 0.00 C ATOM 535 SG CYS A 34 3.400 -8.836 3.226 1.00 0.00 S ATOM 0 H CYS A 34 6.312 -8.629 2.148 1.00 0.00 H new ATOM 0 HA CYS A 34 5.249 -11.280 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.134 -9.427 1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.317 -10.768 1.784 1.00 0.00 H new ATOM 0 HG CYS A 34 4.318 -7.967 3.529 1.00 0.00 H new ATOM 541 N GLU A 35 6.556 -12.381 1.378 1.00 0.00 N ATOM 542 CA GLU A 35 7.281 -13.050 0.267 1.00 0.00 C ATOM 543 C GLU A 35 6.336 -13.306 -0.908 1.00 0.00 C ATOM 544 O GLU A 35 6.766 -13.562 -2.015 1.00 0.00 O ATOM 545 CB GLU A 35 7.782 -14.370 0.851 1.00 0.00 C ATOM 546 CG GLU A 35 8.668 -14.092 2.068 1.00 0.00 C ATOM 547 CD GLU A 35 9.287 -15.405 2.551 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.838 -16.447 2.104 1.00 0.00 O ATOM 549 OE2 GLU A 35 10.199 -15.346 3.359 1.00 0.00 O ATOM 0 H GLU A 35 6.465 -12.929 2.233 1.00 0.00 H new ATOM 0 HA GLU A 35 8.099 -12.439 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.937 -14.995 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.345 -14.922 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.452 -13.381 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.079 -13.639 2.865 1.00 0.00 H new ATOM 556 N SER A 36 5.052 -13.255 -0.678 1.00 0.00 N ATOM 557 CA SER A 36 4.091 -13.515 -1.788 1.00 0.00 C ATOM 558 C SER A 36 2.974 -12.468 -1.796 1.00 0.00 C ATOM 559 O SER A 36 3.055 -11.452 -1.132 1.00 0.00 O ATOM 560 CB SER A 36 3.535 -14.906 -1.497 1.00 0.00 C ATOM 561 OG SER A 36 2.159 -14.808 -1.154 1.00 0.00 O ATOM 0 H SER A 36 4.628 -13.046 0.226 1.00 0.00 H new ATOM 0 HA SER A 36 4.565 -13.459 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.658 -15.547 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.091 -15.368 -0.681 1.00 0.00 H new ATOM 0 HG SER A 36 1.945 -15.473 -0.466 1.00 0.00 H new ATOM 567 N GLY A 37 1.924 -12.715 -2.534 1.00 0.00 N ATOM 568 CA GLY A 37 0.797 -11.749 -2.581 1.00 0.00 C ATOM 569 C GLY A 37 -0.284 -12.263 -1.647 1.00 0.00 C ATOM 570 O GLY A 37 -1.049 -11.514 -1.075 1.00 0.00 O ATOM 0 H GLY A 37 1.802 -13.550 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.129 -10.757 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.414 -11.656 -3.597 1.00 0.00 H new ATOM 574 N GLU A 38 -0.315 -13.552 -1.463 1.00 0.00 N ATOM 575 CA GLU A 38 -1.296 -14.156 -0.539 1.00 0.00 C ATOM 576 C GLU A 38 -0.934 -13.735 0.874 1.00 0.00 C ATOM 577 O GLU A 38 -1.778 -13.423 1.690 1.00 0.00 O ATOM 578 CB GLU A 38 -1.108 -15.655 -0.731 1.00 0.00 C ATOM 579 CG GLU A 38 -2.068 -16.157 -1.808 1.00 0.00 C ATOM 580 CD GLU A 38 -1.847 -17.654 -2.028 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.265 -18.280 -1.158 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.263 -18.148 -3.062 1.00 0.00 O ATOM 0 H GLU A 38 0.308 -14.216 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.328 -13.856 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.079 -15.869 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.292 -16.178 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.099 -15.971 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.904 -15.613 -2.739 1.00 0.00 H new ATOM 589 N MET A 39 0.336 -13.702 1.153 1.00 0.00 N ATOM 590 CA MET A 39 0.789 -13.279 2.495 1.00 0.00 C ATOM 591 C MET A 39 0.310 -11.853 2.755 1.00 0.00 C ATOM 592 O MET A 39 -0.040 -11.490 3.863 1.00 0.00 O ATOM 593 CB MET A 39 2.317 -13.353 2.426 1.00 0.00 C ATOM 594 CG MET A 39 2.759 -14.817 2.482 1.00 0.00 C ATOM 595 SD MET A 39 4.564 -14.909 2.397 1.00 0.00 S ATOM 596 CE MET A 39 4.898 -14.380 4.096 1.00 0.00 C ATOM 0 H MET A 39 1.081 -13.952 0.503 1.00 0.00 H new ATOM 0 HA MET A 39 0.399 -13.898 3.303 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.673 -12.889 1.506 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.757 -12.797 3.254 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.404 -15.280 3.403 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.317 -15.373 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 39 5.423 -13.425 4.083 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.957 -14.269 4.634 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.515 -15.127 4.595 1.00 0.00 H new ATOM 606 N LEU A 40 0.271 -11.049 1.730 1.00 0.00 N ATOM 607 CA LEU A 40 -0.205 -9.653 1.895 1.00 0.00 C ATOM 608 C LEU A 40 -1.701 -9.657 2.197 1.00 0.00 C ATOM 609 O LEU A 40 -2.184 -8.902 3.017 1.00 0.00 O ATOM 610 CB LEU A 40 0.070 -8.984 0.550 1.00 0.00 C ATOM 611 CG LEU A 40 -0.644 -7.630 0.490 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.283 -6.796 1.719 1.00 0.00 C ATOM 613 CD2 LEU A 40 -0.206 -6.882 -0.768 1.00 0.00 C ATOM 0 H LEU A 40 0.550 -11.302 0.782 1.00 0.00 H new ATOM 0 HA LEU A 40 0.290 -9.132 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.143 -8.846 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.275 -9.624 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.721 -7.795 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.794 -5.835 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.591 -7.325 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.794 -6.633 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.713 -5.918 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.872 -6.724 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.465 -7.469 -1.649 1.00 0.00 H new ATOM 625 N LEU A 41 -2.436 -10.511 1.542 1.00 0.00 N ATOM 626 CA LEU A 41 -3.897 -10.574 1.789 1.00 0.00 C ATOM 627 C LEU A 41 -4.165 -10.910 3.256 1.00 0.00 C ATOM 628 O LEU A 41 -4.969 -10.276 3.908 1.00 0.00 O ATOM 629 CB LEU A 41 -4.402 -11.711 0.898 1.00 0.00 C ATOM 630 CG LEU A 41 -4.099 -11.403 -0.567 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.356 -12.655 -1.411 1.00 0.00 C ATOM 632 CD2 LEU A 41 -5.019 -10.279 -1.043 1.00 0.00 C ATOM 0 H LEU A 41 -2.084 -11.168 0.846 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.391 -9.627 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.926 -12.648 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.475 -11.842 1.036 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.058 -11.098 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.141 -12.439 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.711 -13.464 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.399 -12.954 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.808 -10.054 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.058 -10.592 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.848 -9.388 -0.439 1.00 0.00 H new ATOM 644 N GLU A 42 -3.504 -11.907 3.781 1.00 0.00 N ATOM 645 CA GLU A 42 -3.746 -12.275 5.204 1.00 0.00 C ATOM 646 C GLU A 42 -3.410 -11.099 6.124 1.00 0.00 C ATOM 647 O GLU A 42 -4.080 -10.863 7.111 1.00 0.00 O ATOM 648 CB GLU A 42 -2.824 -13.460 5.485 1.00 0.00 C ATOM 649 CG GLU A 42 -3.201 -14.073 6.832 1.00 0.00 C ATOM 650 CD GLU A 42 -2.124 -15.067 7.264 1.00 0.00 C ATOM 651 OE1 GLU A 42 -2.172 -16.198 6.809 1.00 0.00 O ATOM 652 OE2 GLU A 42 -1.270 -14.682 8.045 1.00 0.00 O ATOM 0 H GLU A 42 -2.814 -12.477 3.291 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.791 -12.529 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.915 -14.204 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.784 -13.134 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.308 -13.289 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.165 -14.576 6.757 1.00 0.00 H new ATOM 659 N TYR A 43 -2.378 -10.361 5.816 1.00 0.00 N ATOM 660 CA TYR A 43 -2.009 -9.206 6.684 1.00 0.00 C ATOM 661 C TYR A 43 -2.992 -8.051 6.483 1.00 0.00 C ATOM 662 O TYR A 43 -3.325 -7.339 7.409 1.00 0.00 O ATOM 663 CB TYR A 43 -0.606 -8.798 6.237 1.00 0.00 C ATOM 664 CG TYR A 43 -0.268 -7.458 6.839 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.722 -6.283 6.230 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.495 -7.390 8.008 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.412 -5.040 6.790 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.806 -6.148 8.569 1.00 0.00 C ATOM 669 CZ TYR A 43 0.353 -4.972 7.960 1.00 0.00 C ATOM 670 OH TYR A 43 0.665 -3.745 8.513 1.00 0.00 O ATOM 0 H TYR A 43 -1.777 -10.507 5.005 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.039 -9.466 7.742 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.122 -9.546 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.558 -8.745 5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.312 -6.336 5.327 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.844 -8.297 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.763 -4.133 6.320 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.396 -6.096 9.472 1.00 0.00 H new ATOM 0 HH TYR A 43 1.201 -3.878 9.323 1.00 0.00 H new ATOM 680 N ALA A 44 -3.457 -7.856 5.283 1.00 0.00 N ATOM 681 CA ALA A 44 -4.413 -6.744 5.030 1.00 0.00 C ATOM 682 C ALA A 44 -5.855 -7.221 5.243 1.00 0.00 C ATOM 683 O ALA A 44 -6.772 -6.431 5.293 1.00 0.00 O ATOM 684 CB ALA A 44 -4.186 -6.348 3.571 1.00 0.00 C ATOM 0 H ALA A 44 -3.217 -8.418 4.466 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.256 -5.905 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.857 -5.530 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.153 -6.027 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.386 -7.204 2.926 1.00 0.00 H new ATOM 690 N GLN A 45 -6.065 -8.507 5.351 1.00 0.00 N ATOM 691 CA GLN A 45 -7.454 -9.028 5.545 1.00 0.00 C ATOM 692 C GLN A 45 -7.945 -8.794 6.973 1.00 0.00 C ATOM 693 O GLN A 45 -9.114 -8.954 7.262 1.00 0.00 O ATOM 694 CB GLN A 45 -7.368 -10.528 5.263 1.00 0.00 C ATOM 695 CG GLN A 45 -7.614 -10.767 3.779 1.00 0.00 C ATOM 696 CD GLN A 45 -7.397 -12.244 3.439 1.00 0.00 C ATOM 697 OE1 GLN A 45 -7.344 -13.082 4.317 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.268 -12.598 2.188 1.00 0.00 N ATOM 0 H GLN A 45 -5.336 -9.220 5.313 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.158 -8.519 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.388 -10.909 5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.105 -11.066 5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.631 -10.472 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.941 -10.147 3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.313 -11.894 1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.123 -13.579 1.948 1.00 0.00 H new ATOM 707 N THR A 46 -7.079 -8.438 7.878 1.00 0.00 N ATOM 708 CA THR A 46 -7.548 -8.226 9.276 1.00 0.00 C ATOM 709 C THR A 46 -7.010 -6.898 9.823 1.00 0.00 C ATOM 710 O THR A 46 -7.302 -6.511 10.937 1.00 0.00 O ATOM 711 CB THR A 46 -7.012 -9.432 10.067 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.654 -9.215 10.414 1.00 0.00 O ATOM 713 CG2 THR A 46 -7.124 -10.702 9.210 1.00 0.00 C ATOM 0 H THR A 46 -6.083 -8.286 7.716 1.00 0.00 H new ATOM 0 HA THR A 46 -8.634 -8.162 9.348 1.00 0.00 H new ATOM 0 HB THR A 46 -7.601 -9.553 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.594 -8.475 11.054 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.744 -11.555 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.168 -10.875 8.950 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.539 -10.579 8.298 1.00 0.00 H new ATOM 721 N HIS A 47 -6.231 -6.192 9.043 1.00 0.00 N ATOM 722 CA HIS A 47 -5.683 -4.884 9.517 1.00 0.00 C ATOM 723 C HIS A 47 -5.914 -3.799 8.452 1.00 0.00 C ATOM 724 O HIS A 47 -5.203 -2.816 8.396 1.00 0.00 O ATOM 725 CB HIS A 47 -4.181 -5.124 9.707 1.00 0.00 C ATOM 726 CG HIS A 47 -3.917 -5.770 11.045 1.00 0.00 C ATOM 727 ND1 HIS A 47 -4.513 -6.824 11.692 1.00 0.00 N flip ATOM 728 CD2 HIS A 47 -2.903 -5.339 11.887 1.00 0.00 C flip ATOM 729 CE1 HIS A 47 -3.882 -7.044 12.913 1.00 0.00 C flip ATOM 730 NE2 HIS A 47 -2.921 -6.123 12.980 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.951 -6.464 8.101 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.163 -4.546 10.435 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.804 -5.762 8.907 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.644 -4.178 9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.222 -4.522 11.699 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.120 -7.799 13.648 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.277 -6.025 13.765 1.00 0.00 H new ATOM 738 N ARG A 48 -6.885 -3.984 7.595 1.00 0.00 N ATOM 739 CA ARG A 48 -7.135 -2.968 6.511 1.00 0.00 C ATOM 740 C ARG A 48 -7.005 -1.561 7.076 1.00 0.00 C ATOM 741 O ARG A 48 -6.242 -0.742 6.603 1.00 0.00 O ATOM 742 CB ARG A 48 -8.592 -3.138 6.032 1.00 0.00 C ATOM 743 CG ARG A 48 -9.083 -4.569 6.213 1.00 0.00 C ATOM 744 CD ARG A 48 -10.458 -4.732 5.565 1.00 0.00 C ATOM 745 NE ARG A 48 -11.136 -5.752 6.411 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.373 -6.094 6.174 1.00 0.00 C ATOM 747 NH1 ARG A 48 -13.037 -5.529 5.205 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.948 -7.000 6.914 1.00 0.00 N ATOM 0 H ARG A 48 -7.515 -4.786 7.593 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.418 -3.113 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.239 -2.459 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.664 -2.859 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.375 -5.265 5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.140 -4.812 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.009 -3.791 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.375 -5.063 4.530 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.630 -6.187 7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.590 -4.816 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.004 -5.800 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.431 -7.439 7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.915 -7.269 6.731 1.00 0.00 H new ATOM 762 N ASP A 49 -7.773 -1.279 8.081 1.00 0.00 N ATOM 763 CA ASP A 49 -7.746 0.074 8.699 1.00 0.00 C ATOM 764 C ASP A 49 -6.443 0.292 9.474 1.00 0.00 C ATOM 765 O ASP A 49 -5.985 1.406 9.636 1.00 0.00 O ATOM 766 CB ASP A 49 -8.956 0.083 9.631 1.00 0.00 C ATOM 767 CG ASP A 49 -10.222 -0.138 8.802 1.00 0.00 C ATOM 768 OD1 ASP A 49 -10.121 -0.109 7.586 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.270 -0.334 9.394 1.00 0.00 O ATOM 0 H ASP A 49 -8.428 -1.934 8.509 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.788 0.875 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.857 -0.699 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.015 1.033 10.163 1.00 0.00 H new ATOM 774 N GLN A 50 -5.842 -0.760 9.956 1.00 0.00 N ATOM 775 CA GLN A 50 -4.570 -0.610 10.720 1.00 0.00 C ATOM 776 C GLN A 50 -3.393 -0.325 9.781 1.00 0.00 C ATOM 777 O GLN A 50 -2.388 0.224 10.188 1.00 0.00 O ATOM 778 CB GLN A 50 -4.376 -1.946 11.433 1.00 0.00 C ATOM 779 CG GLN A 50 -5.409 -2.083 12.552 1.00 0.00 C ATOM 780 CD GLN A 50 -5.205 -3.421 13.264 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.217 -3.618 13.943 1.00 0.00 O ATOM 782 NE2 GLN A 50 -6.107 -4.354 13.136 1.00 0.00 N ATOM 0 H GLN A 50 -6.176 -1.718 9.854 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.615 0.227 11.417 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.482 -2.767 10.724 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.369 -2.008 11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.306 -1.261 13.261 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.417 -2.026 12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.936 -4.187 12.566 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.984 -5.251 13.606 1.00 0.00 H new ATOM 791 N ILE A 51 -3.495 -0.697 8.531 1.00 0.00 N ATOM 792 CA ILE A 51 -2.357 -0.438 7.600 1.00 0.00 C ATOM 793 C ILE A 51 -2.297 1.046 7.250 1.00 0.00 C ATOM 794 O ILE A 51 -3.233 1.607 6.714 1.00 0.00 O ATOM 795 CB ILE A 51 -2.635 -1.266 6.341 1.00 0.00 C ATOM 796 CG1 ILE A 51 -2.847 -2.753 6.683 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.440 -1.132 5.397 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.125 -3.130 7.984 1.00 0.00 C ATOM 0 H ILE A 51 -4.304 -1.162 8.119 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.403 -0.711 8.051 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.545 -0.894 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.913 -2.958 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.478 -3.373 5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.622 -1.716 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.303 -0.084 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.542 -1.500 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.292 -4.185 8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.056 -2.947 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.513 -2.526 8.804 1.00 0.00 H new ATOM 810 N ASP A 52 -1.207 1.687 7.551 1.00 0.00 N ATOM 811 CA ASP A 52 -1.093 3.132 7.237 1.00 0.00 C ATOM 812 C ASP A 52 -0.543 3.323 5.823 1.00 0.00 C ATOM 813 O ASP A 52 -0.833 4.303 5.177 1.00 0.00 O ATOM 814 CB ASP A 52 -0.130 3.682 8.285 1.00 0.00 C ATOM 815 CG ASP A 52 -0.778 3.591 9.668 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.954 3.267 9.729 1.00 0.00 O ATOM 817 OD2 ASP A 52 -0.090 3.844 10.642 1.00 0.00 O ATOM 0 H ASP A 52 -0.391 1.272 8.001 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.054 3.646 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.802 3.117 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.121 4.718 8.056 1.00 0.00 H new ATOM 822 N CYS A 53 0.247 2.395 5.338 1.00 0.00 N ATOM 823 CA CYS A 53 0.807 2.532 3.954 1.00 0.00 C ATOM 824 C CYS A 53 1.200 1.159 3.394 1.00 0.00 C ATOM 825 O CYS A 53 1.824 0.367 4.067 1.00 0.00 O ATOM 826 CB CYS A 53 2.049 3.408 4.118 1.00 0.00 C ATOM 827 SG CYS A 53 1.915 4.852 3.037 1.00 0.00 S ATOM 0 H CYS A 53 0.528 1.551 5.838 1.00 0.00 H new ATOM 0 HA CYS A 53 0.083 2.962 3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.149 3.725 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.945 2.838 3.872 1.00 0.00 H new ATOM 0 HG CYS A 53 1.271 4.526 1.956 1.00 0.00 H new ATOM 833 N LEU A 54 0.848 0.862 2.167 1.00 0.00 N ATOM 834 CA LEU A 54 1.229 -0.477 1.605 1.00 0.00 C ATOM 835 C LEU A 54 2.235 -0.319 0.453 1.00 0.00 C ATOM 836 O LEU A 54 2.055 0.498 -0.428 1.00 0.00 O ATOM 837 CB LEU A 54 -0.082 -1.087 1.093 1.00 0.00 C ATOM 838 CG LEU A 54 0.069 -2.606 0.958 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.288 -3.234 0.623 1.00 0.00 C ATOM 840 CD2 LEU A 54 1.059 -2.923 -0.164 1.00 0.00 C ATOM 0 H LEU A 54 0.324 1.472 1.539 1.00 0.00 H new ATOM 0 HA LEU A 54 1.709 -1.108 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.895 -0.853 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.344 -0.651 0.129 1.00 0.00 H new ATOM 0 HG LEU A 54 0.436 -3.014 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.176 -4.314 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.998 -3.012 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.657 -2.824 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.166 -4.003 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.689 -2.510 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.028 -2.481 0.070 1.00 0.00 H new ATOM 852 N ILE A 55 3.285 -1.106 0.431 1.00 0.00 N ATOM 853 CA ILE A 55 4.259 -0.984 -0.692 1.00 0.00 C ATOM 854 C ILE A 55 4.040 -2.126 -1.677 1.00 0.00 C ATOM 855 O ILE A 55 3.803 -3.252 -1.290 1.00 0.00 O ATOM 856 CB ILE A 55 5.644 -1.102 -0.068 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.812 -0.052 1.025 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.709 -0.890 -1.148 1.00 0.00 C ATOM 859 CD1 ILE A 55 6.933 -0.499 1.956 1.00 0.00 C ATOM 0 H ILE A 55 3.505 -1.815 1.131 1.00 0.00 H new ATOM 0 HA ILE A 55 4.143 -0.042 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 55 5.757 -2.094 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.048 0.917 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.882 0.068 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.700 -0.974 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.595 -1.646 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.591 0.101 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.067 0.241 2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.675 -1.460 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.859 -0.598 1.389 1.00 0.00 H new ATOM 871 N LEU A 56 4.117 -1.853 -2.945 1.00 0.00 N ATOM 872 CA LEU A 56 3.912 -2.936 -3.943 1.00 0.00 C ATOM 873 C LEU A 56 4.877 -2.779 -5.111 1.00 0.00 C ATOM 874 O LEU A 56 5.360 -1.702 -5.395 1.00 0.00 O ATOM 875 CB LEU A 56 2.473 -2.776 -4.415 1.00 0.00 C ATOM 876 CG LEU A 56 1.534 -3.221 -3.301 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.092 -2.940 -3.710 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.710 -4.720 -3.060 1.00 0.00 C ATOM 0 H LEU A 56 4.312 -0.931 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 56 4.095 -3.922 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.277 -1.737 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.302 -3.372 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 56 1.766 -2.674 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.581 -3.258 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.034 -1.872 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.141 -3.489 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.039 -5.042 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.475 -5.265 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.741 -4.923 -2.771 1.00 0.00 H new ATOM 890 N VAL A 57 5.145 -3.848 -5.799 1.00 0.00 N ATOM 891 CA VAL A 57 6.066 -3.767 -6.963 1.00 0.00 C ATOM 892 C VAL A 57 5.307 -4.159 -8.228 1.00 0.00 C ATOM 893 O VAL A 57 4.822 -5.266 -8.356 1.00 0.00 O ATOM 894 CB VAL A 57 7.178 -4.770 -6.666 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.197 -4.748 -7.803 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.870 -4.389 -5.356 1.00 0.00 C ATOM 0 H VAL A 57 4.767 -4.776 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 57 6.468 -2.766 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 57 6.753 -5.770 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.992 -5.464 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.705 -5.016 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.623 -3.748 -7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.664 -5.104 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.296 -3.390 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.143 -4.401 -4.544 1.00 0.00 H new ATOM 906 N ALA A 58 5.189 -3.258 -9.155 1.00 0.00 N ATOM 907 CA ALA A 58 4.444 -3.572 -10.407 1.00 0.00 C ATOM 908 C ALA A 58 5.209 -4.587 -11.254 1.00 0.00 C ATOM 909 O ALA A 58 4.658 -5.201 -12.146 1.00 0.00 O ATOM 910 CB ALA A 58 4.332 -2.241 -11.133 1.00 0.00 C ATOM 0 H ALA A 58 5.575 -2.315 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 58 3.469 -4.015 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.794 -2.382 -12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.792 -1.530 -10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.330 -1.855 -11.342 1.00 0.00 H new ATOM 916 N ALA A 59 6.469 -4.777 -10.983 1.00 0.00 N ATOM 917 CA ALA A 59 7.252 -5.763 -11.778 1.00 0.00 C ATOM 918 C ALA A 59 6.609 -7.145 -11.659 1.00 0.00 C ATOM 919 O ALA A 59 6.836 -8.021 -12.470 1.00 0.00 O ATOM 920 CB ALA A 59 8.647 -5.764 -11.152 1.00 0.00 C ATOM 0 H ALA A 59 6.989 -4.295 -10.249 1.00 0.00 H new ATOM 0 HA ALA A 59 7.287 -5.511 -12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.285 -6.469 -11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.076 -4.764 -11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.576 -6.059 -10.105 1.00 0.00 H new ATOM 926 N ASN A 60 5.810 -7.347 -10.647 1.00 0.00 N ATOM 927 CA ASN A 60 5.155 -8.675 -10.466 1.00 0.00 C ATOM 928 C ASN A 60 4.009 -8.865 -11.468 1.00 0.00 C ATOM 929 O ASN A 60 3.326 -7.924 -11.821 1.00 0.00 O ATOM 930 CB ASN A 60 4.619 -8.643 -9.039 1.00 0.00 C ATOM 931 CG ASN A 60 5.758 -8.936 -8.061 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.720 -9.590 -8.409 1.00 0.00 O ATOM 933 ND2 ASN A 60 5.688 -8.473 -6.844 1.00 0.00 N ATOM 0 H ASN A 60 5.582 -6.650 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 60 5.846 -9.500 -10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.183 -7.667 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.825 -9.380 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.442 -8.660 -6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.879 -7.924 -6.553 1.00 0.00 H new ATOM 940 N PRO A 61 3.847 -10.091 -11.890 1.00 0.00 N ATOM 941 CA PRO A 61 2.779 -10.441 -12.865 1.00 0.00 C ATOM 942 C PRO A 61 1.384 -10.387 -12.225 1.00 0.00 C ATOM 943 O PRO A 61 0.605 -9.492 -12.486 1.00 0.00 O ATOM 944 CB PRO A 61 3.132 -11.870 -13.280 1.00 0.00 C ATOM 945 CG PRO A 61 3.934 -12.421 -12.142 1.00 0.00 C ATOM 946 CD PRO A 61 4.648 -11.259 -11.504 1.00 0.00 C ATOM 0 HA PRO A 61 2.737 -9.746 -13.703 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.234 -12.463 -13.453 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.705 -11.881 -14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.287 -12.920 -11.420 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.648 -13.164 -12.497 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.698 -11.368 -10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.674 -11.175 -11.863 1.00 0.00 H new ATOM 954 N SER A 62 1.057 -11.350 -11.409 1.00 0.00 N ATOM 955 CA SER A 62 -0.292 -11.379 -10.767 1.00 0.00 C ATOM 956 C SER A 62 -0.439 -10.261 -9.729 1.00 0.00 C ATOM 957 O SER A 62 -1.475 -10.113 -9.112 1.00 0.00 O ATOM 958 CB SER A 62 -0.370 -12.743 -10.088 1.00 0.00 C ATOM 959 OG SER A 62 0.615 -12.814 -9.066 1.00 0.00 O ATOM 0 H SER A 62 1.670 -12.125 -11.156 1.00 0.00 H new ATOM 0 HA SER A 62 -1.088 -11.226 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.363 -12.895 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.211 -13.536 -10.819 1.00 0.00 H new ATOM 0 HG SER A 62 0.567 -13.688 -8.626 1.00 0.00 H new ATOM 965 N PHE A 63 0.581 -9.474 -9.528 1.00 0.00 N ATOM 966 CA PHE A 63 0.481 -8.375 -8.527 1.00 0.00 C ATOM 967 C PHE A 63 -0.844 -7.626 -8.706 1.00 0.00 C ATOM 968 O PHE A 63 -1.543 -7.346 -7.753 1.00 0.00 O ATOM 969 CB PHE A 63 1.693 -7.480 -8.818 1.00 0.00 C ATOM 970 CG PHE A 63 1.384 -6.041 -8.484 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.045 -5.677 -7.178 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.428 -5.076 -9.493 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.749 -4.344 -6.882 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.136 -3.744 -9.198 1.00 0.00 C ATOM 975 CZ PHE A 63 0.794 -3.375 -7.891 1.00 0.00 C ATOM 0 H PHE A 63 1.476 -9.543 -10.011 1.00 0.00 H new ATOM 0 HA PHE A 63 0.489 -8.728 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.550 -7.818 -8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.969 -7.564 -9.869 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.012 -6.424 -6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.688 -5.361 -10.502 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.485 -4.061 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.174 -2.997 -9.978 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.565 -2.345 -7.662 1.00 0.00 H new ATOM 985 N ARG A 64 -1.203 -7.316 -9.916 1.00 0.00 N ATOM 986 CA ARG A 64 -2.490 -6.608 -10.144 1.00 0.00 C ATOM 987 C ARG A 64 -3.607 -7.416 -9.491 1.00 0.00 C ATOM 988 O ARG A 64 -4.523 -6.880 -8.900 1.00 0.00 O ATOM 989 CB ARG A 64 -2.667 -6.578 -11.669 1.00 0.00 C ATOM 990 CG ARG A 64 -1.420 -5.998 -12.347 1.00 0.00 C ATOM 991 CD ARG A 64 -1.079 -4.645 -11.728 1.00 0.00 C ATOM 992 NE ARG A 64 -2.070 -3.699 -12.317 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.002 -3.380 -13.583 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.997 -3.783 -14.312 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.927 -2.629 -14.114 1.00 0.00 N ATOM 0 H ARG A 64 -0.663 -7.521 -10.757 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.509 -5.602 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.852 -7.587 -12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.540 -5.978 -11.927 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.580 -6.683 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.595 -5.885 -13.417 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.158 -4.675 -10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.058 -4.347 -11.965 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.803 -3.300 -11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.259 -4.350 -13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.950 -3.531 -15.299 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.701 -2.292 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.876 -2.379 -15.102 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.517 -8.708 -9.589 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.552 -9.586 -8.967 1.00 0.00 C ATOM 1011 C ALA A 65 -4.525 -9.421 -7.444 1.00 0.00 C ATOM 1012 O ALA A 65 -5.542 -9.241 -6.802 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.151 -11.010 -9.362 1.00 0.00 C ATOM 0 H ALA A 65 -2.768 -9.201 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.562 -9.343 -9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.865 -11.719 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.148 -11.099 -10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.155 -11.227 -8.977 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.362 -9.475 -6.861 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.257 -9.319 -5.382 1.00 0.00 C ATOM 1021 C VAL A 66 -3.840 -7.968 -4.959 1.00 0.00 C ATOM 1022 O VAL A 66 -4.594 -7.867 -4.004 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.753 -9.379 -5.108 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.473 -9.098 -3.635 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.227 -10.771 -5.467 1.00 0.00 C ATOM 0 H VAL A 66 -2.476 -9.621 -7.345 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.806 -10.081 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.252 -8.625 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.399 -9.144 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.843 -8.105 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.977 -9.844 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.155 -10.816 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.738 -11.520 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.413 -10.969 -6.523 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.513 -6.927 -5.674 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.063 -5.592 -5.320 1.00 0.00 C ATOM 1037 C VAL A 67 -5.587 -5.614 -5.418 1.00 0.00 C ATOM 1038 O VAL A 67 -6.280 -5.041 -4.600 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.476 -4.635 -6.348 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -4.054 -3.241 -6.123 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.959 -4.589 -6.182 1.00 0.00 C ATOM 0 H VAL A 67 -2.892 -6.944 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.811 -5.296 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.723 -4.975 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.637 -2.551 -6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.138 -3.275 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.801 -2.900 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.533 -3.905 -6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.713 -4.243 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.546 -5.586 -6.333 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.118 -6.274 -6.413 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.595 -6.326 -6.552 1.00 0.00 C ATOM 1053 C GLN A 68 -8.204 -6.843 -5.246 1.00 0.00 C ATOM 1054 O GLN A 68 -9.196 -6.331 -4.771 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.859 -7.278 -7.736 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.313 -8.658 -7.239 1.00 0.00 C ATOM 1057 CD GLN A 68 -8.483 -9.604 -8.430 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.751 -10.564 -8.569 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -9.426 -9.368 -9.301 1.00 0.00 N ATOM 0 H GLN A 68 -5.593 -6.775 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.046 -5.352 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.623 -6.852 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.953 -7.382 -8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.580 -9.064 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.254 -8.568 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.039 -8.562 -9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.550 -9.990 -10.100 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.613 -7.848 -4.653 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.179 -8.365 -3.375 1.00 0.00 C ATOM 1070 C GLN A 69 -8.188 -7.251 -2.334 1.00 0.00 C ATOM 1071 O GLN A 69 -9.199 -6.977 -1.719 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.260 -9.499 -2.932 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.767 -10.815 -3.518 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.932 -11.332 -2.673 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -9.235 -10.780 -1.634 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -9.597 -12.382 -3.075 1.00 0.00 N ATOM 0 H GLN A 69 -6.778 -8.325 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.204 -8.716 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.240 -9.308 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.234 -9.558 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.089 -10.667 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.963 -11.551 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.341 -12.844 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.372 -12.740 -2.516 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.083 -6.584 -2.139 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.086 -5.478 -1.144 1.00 0.00 C ATOM 1087 C LEU A 70 -8.268 -4.558 -1.449 1.00 0.00 C ATOM 1088 O LEU A 70 -9.033 -4.197 -0.579 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.763 -4.739 -1.344 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.648 -5.457 -0.576 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.390 -5.506 -1.436 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.332 -4.698 0.714 1.00 0.00 C ATOM 0 H LEU A 70 -6.197 -6.753 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.183 -5.829 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.517 -4.695 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.854 -3.710 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.978 -6.468 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.596 -6.016 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.601 -6.046 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.072 -4.491 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.539 -5.214 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.007 -3.687 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.225 -4.652 1.337 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.434 -4.199 -2.693 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.581 -3.325 -3.071 1.00 0.00 C ATOM 1106 C CYS A 71 -10.890 -4.107 -2.934 1.00 0.00 C ATOM 1107 O CYS A 71 -11.887 -3.596 -2.463 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.344 -2.962 -4.539 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.051 -1.706 -4.660 1.00 0.00 S ATOM 0 H CYS A 71 -7.825 -4.473 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.652 -2.441 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.054 -3.850 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.267 -2.591 -4.985 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.061 -2.026 -3.881 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.889 -5.348 -3.348 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.125 -6.175 -3.249 1.00 0.00 C ATOM 1117 C PHE A 72 -12.510 -6.360 -1.779 1.00 0.00 C ATOM 1118 O PHE A 72 -13.641 -6.141 -1.390 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.756 -7.513 -3.900 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.919 -8.470 -3.804 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.146 -9.179 -2.619 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.769 -8.652 -4.902 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.223 -10.069 -2.529 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.847 -9.541 -4.814 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.074 -10.249 -3.628 1.00 0.00 C ATOM 0 H PHE A 72 -10.082 -5.824 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.982 -5.715 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.488 -7.357 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.882 -7.939 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -12.490 -9.039 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.593 -8.106 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.398 -10.616 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.503 -9.680 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.906 -10.935 -3.560 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.574 -6.745 -0.956 1.00 0.00 N ATOM 1136 CA GLU A 73 -11.885 -6.922 0.490 1.00 0.00 C ATOM 1137 C GLU A 73 -12.239 -5.565 1.103 1.00 0.00 C ATOM 1138 O GLU A 73 -12.845 -5.483 2.152 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.605 -7.485 1.111 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.320 -8.871 0.528 1.00 0.00 C ATOM 1141 CD GLU A 73 -11.134 -9.920 1.290 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -11.279 -9.769 2.492 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -11.599 -10.856 0.660 1.00 0.00 O ATOM 0 H GLU A 73 -10.610 -6.944 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.733 -7.586 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.767 -6.816 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.712 -7.549 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.579 -8.893 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.256 -9.097 0.601 1.00 0.00 H new ATOM 1150 N GLY A 74 -11.864 -4.500 0.446 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.174 -3.141 0.974 1.00 0.00 C ATOM 1152 C GLY A 74 -10.924 -2.542 1.619 1.00 0.00 C ATOM 1153 O GLY A 74 -10.972 -1.497 2.238 1.00 0.00 O ATOM 0 H GLY A 74 -11.354 -4.514 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.522 -2.497 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.980 -3.199 1.705 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.804 -3.196 1.480 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.549 -2.669 2.085 1.00 0.00 C ATOM 1159 C VAL A 75 -7.963 -1.561 1.206 1.00 0.00 C ATOM 1160 O VAL A 75 -7.284 -1.819 0.233 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.611 -3.877 2.131 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.432 -3.578 3.052 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.373 -5.093 2.662 1.00 0.00 C ATOM 0 H VAL A 75 -9.704 -4.075 0.972 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.708 -2.233 3.071 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.242 -4.085 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.766 -4.440 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.887 -2.712 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.799 -3.368 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.706 -5.954 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.742 -4.881 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.214 -5.311 2.004 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.217 -0.325 1.543 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.669 0.796 0.725 1.00 0.00 C ATOM 1175 C VAL A 76 -6.678 1.604 1.571 1.00 0.00 C ATOM 1176 O VAL A 76 -6.972 1.998 2.682 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.889 1.635 0.322 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.548 2.484 -0.906 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.056 0.707 -0.028 1.00 0.00 C ATOM 0 H VAL A 76 -8.778 -0.043 2.347 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.126 0.456 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.166 2.283 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.416 3.079 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.716 3.147 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.269 1.832 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.922 1.304 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.771 0.061 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.307 0.095 0.839 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.494 1.821 1.063 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.459 2.569 1.845 1.00 0.00 C ATOM 1191 C VAL A 77 -3.511 3.317 0.908 1.00 0.00 C ATOM 1192 O VAL A 77 -3.455 3.023 -0.266 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.669 1.475 2.564 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.470 0.934 3.745 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.384 0.336 1.577 1.00 0.00 C ATOM 0 H VAL A 77 -5.196 1.513 0.138 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.909 3.301 2.516 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.733 1.892 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.896 0.156 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.676 1.743 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.411 0.516 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.821 -0.449 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.326 -0.071 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.803 0.718 0.738 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.748 4.225 1.462 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.757 4.962 0.647 1.00 0.00 C ATOM 1207 C PRO A 78 -0.704 3.964 0.188 1.00 0.00 C ATOM 1208 O PRO A 78 0.298 3.743 0.840 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.173 5.984 1.614 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.412 5.396 2.959 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.715 4.642 2.866 1.00 0.00 C ATOM 0 HA PRO A 78 -2.164 5.447 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.110 6.142 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.661 6.953 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.597 4.730 3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.467 6.175 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.737 3.788 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.567 5.273 3.121 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.960 3.315 -0.903 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.022 2.282 -1.393 1.00 0.00 C ATOM 1221 C ALA A 79 0.970 2.856 -2.404 1.00 0.00 C ATOM 1222 O ALA A 79 0.596 3.376 -3.437 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.934 1.252 -2.048 1.00 0.00 C ATOM 0 H ALA A 79 -1.787 3.457 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 79 0.591 1.864 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.333 0.436 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.631 0.860 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.491 1.722 -2.858 1.00 0.00 H new ATOM 1229 N ILE A 80 2.238 2.742 -2.117 1.00 0.00 N ATOM 1230 CA ILE A 80 3.270 3.254 -3.056 1.00 0.00 C ATOM 1231 C ILE A 80 3.660 2.130 -4.017 1.00 0.00 C ATOM 1232 O ILE A 80 4.111 1.081 -3.601 1.00 0.00 O ATOM 1233 CB ILE A 80 4.450 3.645 -2.167 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.973 4.623 -1.090 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.534 4.308 -3.018 1.00 0.00 C ATOM 1236 CD1 ILE A 80 5.044 4.749 -0.005 1.00 0.00 C ATOM 0 H ILE A 80 2.603 2.313 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 80 2.929 4.098 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 80 4.859 2.753 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.772 5.599 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.038 4.272 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.375 4.587 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.873 3.610 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.128 5.200 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.705 5.445 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.223 3.772 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.969 5.119 -0.448 1.00 0.00 H new ATOM 1248 N VAL A 81 3.470 2.326 -5.291 1.00 0.00 N ATOM 1249 CA VAL A 81 3.811 1.248 -6.264 1.00 0.00 C ATOM 1250 C VAL A 81 5.198 1.475 -6.876 1.00 0.00 C ATOM 1251 O VAL A 81 5.640 2.592 -7.051 1.00 0.00 O ATOM 1252 CB VAL A 81 2.718 1.324 -7.327 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.939 0.225 -8.369 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.358 1.124 -6.652 1.00 0.00 C ATOM 0 H VAL A 81 3.095 3.181 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 81 3.853 0.267 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 81 2.748 2.295 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.158 0.280 -9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.913 0.361 -8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.904 -0.750 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.569 1.176 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.333 0.149 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.203 1.905 -5.907 1.00 0.00 H new ATOM 1264 N VAL A 82 5.890 0.411 -7.186 1.00 0.00 N ATOM 1265 CA VAL A 82 7.258 0.540 -7.771 1.00 0.00 C ATOM 1266 C VAL A 82 7.334 -0.202 -9.108 1.00 0.00 C ATOM 1267 O VAL A 82 6.534 -1.071 -9.392 1.00 0.00 O ATOM 1268 CB VAL A 82 8.191 -0.134 -6.761 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.628 0.342 -6.994 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.761 0.214 -5.333 1.00 0.00 C ATOM 0 H VAL A 82 5.565 -0.547 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 82 7.523 1.581 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 82 8.138 -1.214 -6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.291 -0.138 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.939 0.080 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.678 1.424 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.431 -0.270 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.804 1.294 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.742 -0.134 -5.165 1.00 0.00 H new ATOM 1280 N GLY A 83 8.303 0.116 -9.922 1.00 0.00 N ATOM 1281 CA GLY A 83 8.436 -0.595 -11.228 1.00 0.00 C ATOM 1282 C GLY A 83 7.914 0.278 -12.368 1.00 0.00 C ATOM 1283 O GLY A 83 7.301 -0.200 -13.301 1.00 0.00 O ATOM 0 H GLY A 83 9.006 0.833 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.481 -0.849 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.881 -1.533 -11.197 1.00 0.00 H new ATOM 1492 N LEU A 98 -2.910 -0.096 -10.905 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.172 -1.059 -10.050 1.00 0.00 C ATOM 1494 C LEU A 98 -2.861 -1.135 -8.698 1.00 0.00 C ATOM 1495 O LEU A 98 -2.731 -2.093 -7.965 1.00 0.00 O ATOM 1496 CB LEU A 98 -0.773 -0.468 -9.922 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.158 -0.360 -11.312 1.00 0.00 C ATOM 1498 CD1 LEU A 98 1.138 0.441 -11.239 1.00 0.00 C ATOM 1499 CD2 LEU A 98 0.134 -1.761 -11.840 1.00 0.00 C ATOM 0 HA LEU A 98 -2.138 -2.069 -10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.820 0.514 -9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.154 -1.098 -9.283 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.853 0.146 -11.982 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.576 0.517 -12.234 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.927 1.440 -10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.839 -0.061 -10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.574 -1.691 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.831 -2.265 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.794 -2.330 -11.894 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.605 -0.115 -8.382 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.345 -0.075 -7.088 1.00 0.00 C ATOM 1513 C TYR A 99 -5.453 0.986 -7.176 1.00 0.00 C ATOM 1514 O TYR A 99 -6.192 1.039 -8.139 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.293 0.302 -6.036 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.723 -0.154 -4.655 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.067 -0.449 -4.379 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.762 -0.278 -3.641 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.441 -0.867 -3.091 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.141 -0.695 -2.359 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.479 -0.990 -2.086 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.850 -1.402 -0.822 1.00 0.00 O ATOM 0 H TYR A 99 -3.735 0.706 -8.973 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.824 -1.022 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.337 -0.153 -6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.142 1.382 -6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.812 -0.355 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.727 -0.051 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.475 -1.094 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.398 -0.789 -1.581 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.828 -1.436 -0.763 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.571 1.841 -6.192 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.632 2.901 -6.251 1.00 0.00 C ATOM 1534 C HIS A 100 -6.043 4.212 -6.781 1.00 0.00 C ATOM 1535 O HIS A 100 -4.864 4.308 -7.056 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.152 3.084 -4.814 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.027 2.964 -3.825 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.778 1.781 -3.120 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.062 3.854 -3.415 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.700 1.993 -2.337 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.253 3.224 -2.498 1.00 0.00 N ATOM 0 H HIS A 100 -4.986 1.855 -5.356 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.440 2.613 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.628 4.060 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.914 2.335 -4.599 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -6.314 0.916 -3.186 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -4.957 4.874 -3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.265 1.260 -1.673 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.449 3.636 -2.025 1.00 0.00 H new ATOM 1549 N SER A 101 -6.858 5.222 -6.932 1.00 0.00 N ATOM 1550 CA SER A 101 -6.348 6.526 -7.451 1.00 0.00 C ATOM 1551 C SER A 101 -5.508 7.235 -6.386 1.00 0.00 C ATOM 1552 O SER A 101 -4.991 8.311 -6.608 1.00 0.00 O ATOM 1553 CB SER A 101 -7.600 7.340 -7.768 1.00 0.00 C ATOM 1554 OG SER A 101 -8.413 7.422 -6.606 1.00 0.00 O ATOM 0 H SER A 101 -7.855 5.201 -6.718 1.00 0.00 H new ATOM 0 HA SER A 101 -5.708 6.397 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.323 8.339 -8.103 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.155 6.873 -8.582 1.00 0.00 H new ATOM 0 HG SER A 101 -9.217 7.946 -6.806 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.379 6.648 -5.228 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.581 7.295 -4.146 1.00 0.00 C ATOM 1562 C ALA A 102 -3.189 6.658 -4.036 1.00 0.00 C ATOM 1563 O ALA A 102 -2.291 7.213 -3.436 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.385 7.050 -2.870 1.00 0.00 C ATOM 0 H ALA A 102 -5.792 5.748 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.419 8.356 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.866 7.496 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.372 7.502 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.492 5.977 -2.707 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.007 5.496 -4.598 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.677 4.821 -4.515 1.00 0.00 C ATOM 1572 C GLU A 103 -0.572 5.706 -5.108 1.00 0.00 C ATOM 1573 O GLU A 103 -0.689 6.203 -6.210 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.839 3.554 -5.356 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.865 3.932 -6.842 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.220 2.705 -7.680 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -3.399 2.485 -7.903 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -1.307 2.007 -8.086 1.00 0.00 O ATOM 0 H GLU A 103 -3.722 4.982 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.390 4.613 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.018 2.865 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.760 3.038 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.594 4.724 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.893 4.322 -7.145 1.00 0.00 H new ATOM 1585 N LEU A 104 0.510 5.887 -4.397 1.00 0.00 N ATOM 1586 CA LEU A 104 1.621 6.716 -4.945 1.00 0.00 C ATOM 1587 C LEU A 104 2.516 5.842 -5.826 1.00 0.00 C ATOM 1588 O LEU A 104 2.509 4.632 -5.721 1.00 0.00 O ATOM 1589 CB LEU A 104 2.393 7.220 -3.725 1.00 0.00 C ATOM 1590 CG LEU A 104 2.341 8.746 -3.678 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.888 9.199 -3.539 1.00 0.00 C ATOM 1592 CD2 LEU A 104 3.150 9.243 -2.476 1.00 0.00 C ATOM 0 H LEU A 104 0.671 5.499 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 104 1.263 7.544 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.964 6.804 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.428 6.883 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 104 2.763 9.157 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.848 10.288 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.312 8.841 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.466 8.792 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.115 10.332 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.726 8.835 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.185 8.916 -2.574 1.00 0.00 H new ATOM 1604 N HIS A 105 3.281 6.435 -6.696 1.00 0.00 N ATOM 1605 CA HIS A 105 4.164 5.620 -7.579 1.00 0.00 C ATOM 1606 C HIS A 105 5.633 5.984 -7.350 1.00 0.00 C ATOM 1607 O HIS A 105 5.963 7.113 -7.050 1.00 0.00 O ATOM 1608 CB HIS A 105 3.725 5.966 -9.002 1.00 0.00 C ATOM 1609 CG HIS A 105 2.330 5.449 -9.220 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.525 5.903 -10.252 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.582 4.519 -8.542 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.351 5.251 -10.167 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.332 4.396 -9.142 1.00 0.00 N ATOM 0 H HIS A 105 3.335 7.444 -6.836 1.00 0.00 H new ATOM 0 HA HIS A 105 4.079 4.552 -7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.755 7.045 -9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.409 5.523 -9.726 1.00 0.00 H new ATOM 0 HD1 HIS A 105 1.776 6.604 -10.949 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.913 3.967 -7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.476 5.401 -10.846 1.00 0.00 H new ATOM 1621 N LEU A 106 6.514 5.026 -7.479 1.00 0.00 N ATOM 1622 CA LEU A 106 7.965 5.306 -7.261 1.00 0.00 C ATOM 1623 C LEU A 106 8.817 4.499 -8.247 1.00 0.00 C ATOM 1624 O LEU A 106 8.522 3.359 -8.547 1.00 0.00 O ATOM 1625 CB LEU A 106 8.245 4.861 -5.825 1.00 0.00 C ATOM 1626 CG LEU A 106 9.713 5.129 -5.493 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.975 6.637 -5.512 1.00 0.00 C ATOM 1628 CD2 LEU A 106 10.036 4.570 -4.104 1.00 0.00 C ATOM 0 H LEU A 106 6.292 4.062 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 106 8.208 6.357 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.599 5.400 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.021 3.800 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 106 10.346 4.642 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.022 6.827 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.749 7.033 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.341 7.126 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.083 4.762 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.403 5.054 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.853 3.496 -4.093 1.00 0.00 H new ATOM 1640 N GLY A 107 9.873 5.082 -8.751 1.00 0.00 N ATOM 1641 CA GLY A 107 10.747 4.349 -9.717 1.00 0.00 C ATOM 1642 C GLY A 107 11.545 3.266 -8.984 1.00 0.00 C ATOM 1643 O GLY A 107 11.829 3.378 -7.808 1.00 0.00 O ATOM 0 H GLY A 107 10.169 6.034 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.138 3.897 -10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.428 5.046 -10.205 1.00 0.00 H new ATOM 1647 N ILE A 108 11.910 2.219 -9.678 1.00 0.00 N ATOM 1648 CA ILE A 108 12.691 1.127 -9.047 1.00 0.00 C ATOM 1649 C ILE A 108 14.034 1.652 -8.543 1.00 0.00 C ATOM 1650 O ILE A 108 14.484 1.312 -7.467 1.00 0.00 O ATOM 1651 CB ILE A 108 12.885 0.136 -10.185 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.551 -0.513 -10.518 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.864 -0.941 -9.766 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.058 -1.312 -9.310 1.00 0.00 C ATOM 0 H ILE A 108 11.695 2.078 -10.665 1.00 0.00 H new ATOM 0 HA ILE A 108 12.198 0.687 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 108 13.273 0.663 -11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.820 0.250 -10.786 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.659 -1.169 -11.382 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.999 -1.648 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.822 -0.485 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.476 -1.466 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.102 -1.778 -9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.786 -2.084 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.934 -0.644 -8.458 1.00 0.00 H new ATOM 1666 N HIS A 109 14.670 2.489 -9.310 1.00 0.00 N ATOM 1667 CA HIS A 109 15.978 3.051 -8.876 1.00 0.00 C ATOM 1668 C HIS A 109 15.735 4.261 -7.971 1.00 0.00 C ATOM 1669 O HIS A 109 16.659 4.880 -7.480 1.00 0.00 O ATOM 1670 CB HIS A 109 16.671 3.480 -10.167 1.00 0.00 C ATOM 1671 CG HIS A 109 15.952 4.673 -10.729 1.00 0.00 C ATOM 1672 ND1 HIS A 109 14.902 4.549 -11.624 1.00 0.00 N ATOM 1673 CD2 HIS A 109 16.102 6.020 -10.511 1.00 0.00 C ATOM 1674 CE1 HIS A 109 14.464 5.787 -11.908 1.00 0.00 C ATOM 1675 NE2 HIS A 109 15.161 6.722 -11.256 1.00 0.00 N ATOM 0 H HIS A 109 14.341 2.809 -10.221 1.00 0.00 H new ATOM 0 HA HIS A 109 16.579 2.336 -8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.715 3.726 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.666 2.662 -10.888 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.839 6.467 -9.860 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.647 6.001 -12.582 1.00 0.00 H new ATOM 0 HE2 HIS A 109 15.031 7.733 -11.296 1.00 0.00 H new ATOM 1683 N GLN A 110 14.493 4.600 -7.747 1.00 0.00 N ATOM 1684 CA GLN A 110 14.180 5.767 -6.874 1.00 0.00 C ATOM 1685 C GLN A 110 13.866 5.292 -5.460 1.00 0.00 C ATOM 1686 O GLN A 110 13.255 5.998 -4.684 1.00 0.00 O ATOM 1687 CB GLN A 110 12.945 6.422 -7.495 1.00 0.00 C ATOM 1688 CG GLN A 110 13.263 6.894 -8.913 1.00 0.00 C ATOM 1689 CD GLN A 110 12.088 7.714 -9.451 1.00 0.00 C ATOM 1690 OE1 GLN A 110 11.212 7.186 -10.109 1.00 0.00 O ATOM 1691 NE2 GLN A 110 12.027 8.991 -9.189 1.00 0.00 N ATOM 0 H GLN A 110 13.681 4.118 -8.132 1.00 0.00 H new ATOM 0 HA GLN A 110 15.017 6.462 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.118 5.712 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.625 7.266 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.171 7.497 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.449 6.037 -9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.762 9.434 -8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.245 9.546 -9.536 1.00 0.00 H new ATOM 1700 N LEU A 111 14.273 4.102 -5.117 1.00 0.00 N ATOM 1701 CA LEU A 111 13.984 3.602 -3.747 1.00 0.00 C ATOM 1702 C LEU A 111 14.690 4.486 -2.725 1.00 0.00 C ATOM 1703 O LEU A 111 15.878 4.385 -2.501 1.00 0.00 O ATOM 1704 CB LEU A 111 14.527 2.167 -3.704 1.00 0.00 C ATOM 1705 CG LEU A 111 13.619 1.182 -4.477 1.00 0.00 C ATOM 1706 CD1 LEU A 111 13.059 0.145 -3.505 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.444 1.904 -5.151 1.00 0.00 C ATOM 0 H LEU A 111 14.788 3.460 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 111 12.920 3.622 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.530 2.146 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.614 1.843 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 111 14.223 0.707 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.418 -0.552 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.881 -0.402 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.478 0.648 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.829 1.179 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.841 2.404 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.827 2.643 -5.855 1.00 0.00 H new ATOM 1719 N GLU A 112 13.946 5.357 -2.118 1.00 0.00 N ATOM 1720 CA GLU A 112 14.511 6.291 -1.099 1.00 0.00 C ATOM 1721 C GLU A 112 13.472 7.372 -0.798 1.00 0.00 C ATOM 1722 O GLU A 112 13.463 7.971 0.258 1.00 0.00 O ATOM 1723 CB GLU A 112 15.768 6.904 -1.727 1.00 0.00 C ATOM 1724 CG GLU A 112 15.490 7.310 -3.175 1.00 0.00 C ATOM 1725 CD GLU A 112 16.658 8.148 -3.697 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.331 8.761 -2.885 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.861 8.161 -4.899 1.00 0.00 O ATOM 0 H GLU A 112 12.946 5.468 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 112 14.759 5.788 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.083 7.774 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.587 6.186 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.358 6.423 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.563 7.881 -3.233 1.00 0.00 H new ATOM 1734 N GLN A 113 12.579 7.605 -1.722 1.00 0.00 N ATOM 1735 CA GLN A 113 11.511 8.620 -1.502 1.00 0.00 C ATOM 1736 C GLN A 113 10.315 7.957 -0.822 1.00 0.00 C ATOM 1737 O GLN A 113 9.337 8.595 -0.508 1.00 0.00 O ATOM 1738 CB GLN A 113 11.126 9.094 -2.897 1.00 0.00 C ATOM 1739 CG GLN A 113 12.262 9.929 -3.480 1.00 0.00 C ATOM 1740 CD GLN A 113 12.020 10.145 -4.971 1.00 0.00 C ATOM 1741 OE1 GLN A 113 10.894 10.121 -5.428 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.040 10.353 -5.754 1.00 0.00 N ATOM 0 H GLN A 113 12.544 7.132 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 113 11.838 9.444 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.922 8.238 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.211 9.685 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.322 10.889 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.216 9.424 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.984 10.373 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.895 10.496 -6.753 1.00 0.00 H new ATOM 1751 N LEU A 114 10.388 6.674 -0.600 1.00 0.00 N ATOM 1752 CA LEU A 114 9.260 5.958 0.053 1.00 0.00 C ATOM 1753 C LEU A 114 8.777 6.685 1.312 1.00 0.00 C ATOM 1754 O LEU A 114 7.589 6.817 1.508 1.00 0.00 O ATOM 1755 CB LEU A 114 9.820 4.588 0.408 1.00 0.00 C ATOM 1756 CG LEU A 114 9.903 3.737 -0.858 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.331 3.231 -1.053 1.00 0.00 C ATOM 1758 CD2 LEU A 114 8.959 2.543 -0.723 1.00 0.00 C ATOM 0 H LEU A 114 11.186 6.088 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 114 8.393 5.898 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.808 4.691 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.183 4.102 1.147 1.00 0.00 H new ATOM 0 HG LEU A 114 9.617 4.342 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.382 2.625 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 114 12.008 4.080 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.623 2.626 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.014 1.932 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.251 1.944 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.938 2.900 -0.589 1.00 0.00 H new ATOM 1770 N PRO A 115 9.688 7.135 2.139 1.00 0.00 N ATOM 1771 CA PRO A 115 9.271 7.851 3.370 1.00 0.00 C ATOM 1772 C PRO A 115 8.553 9.134 2.978 1.00 0.00 C ATOM 1773 O PRO A 115 7.429 9.375 3.370 1.00 0.00 O ATOM 1774 CB PRO A 115 10.587 8.112 4.102 1.00 0.00 C ATOM 1775 CG PRO A 115 11.624 8.073 3.028 1.00 0.00 C ATOM 1776 CD PRO A 115 11.150 7.046 2.032 1.00 0.00 C ATOM 0 HA PRO A 115 8.575 7.299 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.575 9.077 4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.775 7.355 4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.736 9.050 2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.598 7.801 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.496 7.272 1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.513 6.048 2.277 1.00 0.00 H new ATOM 1784 N TYR A 116 9.176 9.939 2.175 1.00 0.00 N ATOM 1785 CA TYR A 116 8.506 11.180 1.725 1.00 0.00 C ATOM 1786 C TYR A 116 7.276 10.789 0.893 1.00 0.00 C ATOM 1787 O TYR A 116 6.248 11.435 0.941 1.00 0.00 O ATOM 1788 CB TYR A 116 9.590 11.923 0.928 1.00 0.00 C ATOM 1789 CG TYR A 116 9.158 12.185 -0.495 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.025 12.963 -0.756 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.905 11.655 -1.552 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.638 13.208 -2.077 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.521 11.902 -2.874 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.385 12.679 -3.138 1.00 0.00 C ATOM 1795 OH TYR A 116 8.001 12.927 -4.439 1.00 0.00 O ATOM 0 H TYR A 116 10.118 9.792 1.811 1.00 0.00 H new ATOM 0 HA TYR A 116 8.130 11.822 2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.818 12.869 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.508 11.335 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.450 13.374 0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.779 11.055 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.762 13.806 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.099 11.495 -3.690 1.00 0.00 H new ATOM 0 HH TYR A 116 8.626 12.489 -5.054 1.00 0.00 H new ATOM 1805 N GLN A 117 7.365 9.707 0.166 1.00 0.00 N ATOM 1806 CA GLN A 117 6.194 9.238 -0.628 1.00 0.00 C ATOM 1807 C GLN A 117 5.135 8.700 0.333 1.00 0.00 C ATOM 1808 O GLN A 117 3.950 8.871 0.134 1.00 0.00 O ATOM 1809 CB GLN A 117 6.727 8.114 -1.525 1.00 0.00 C ATOM 1810 CG GLN A 117 7.425 8.708 -2.751 1.00 0.00 C ATOM 1811 CD GLN A 117 6.377 9.120 -3.786 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.445 8.387 -4.048 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.492 10.272 -4.388 1.00 0.00 N ATOM 0 H GLN A 117 8.200 9.127 0.088 1.00 0.00 H new ATOM 0 HA GLN A 117 5.741 10.032 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.425 7.491 -0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.907 7.469 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.023 9.572 -2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.110 7.978 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.275 10.887 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.799 10.558 -5.079 1.00 0.00 H new ATOM 1822 N VAL A 118 5.567 8.055 1.385 1.00 0.00 N ATOM 1823 CA VAL A 118 4.602 7.504 2.381 1.00 0.00 C ATOM 1824 C VAL A 118 3.816 8.647 3.023 1.00 0.00 C ATOM 1825 O VAL A 118 2.602 8.640 3.038 1.00 0.00 O ATOM 1826 CB VAL A 118 5.467 6.768 3.420 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.793 6.792 4.798 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.641 5.313 2.986 1.00 0.00 C ATOM 0 H VAL A 118 6.550 7.886 1.598 1.00 0.00 H new ATOM 0 HA VAL A 118 3.871 6.832 1.931 1.00 0.00 H new ATOM 0 HB VAL A 118 6.434 7.267 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.420 6.267 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.658 7.825 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.822 6.301 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.253 4.786 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.664 4.834 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.130 5.280 2.013 1.00 0.00 H new ATOM 1838 N ASP A 119 4.488 9.636 3.548 1.00 0.00 N ATOM 1839 CA ASP A 119 3.742 10.761 4.170 1.00 0.00 C ATOM 1840 C ASP A 119 2.851 11.404 3.106 1.00 0.00 C ATOM 1841 O ASP A 119 1.712 11.749 3.358 1.00 0.00 O ATOM 1842 CB ASP A 119 4.814 11.743 4.651 1.00 0.00 C ATOM 1843 CG ASP A 119 5.681 11.078 5.723 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.605 9.868 5.854 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.408 11.793 6.393 1.00 0.00 O ATOM 0 H ASP A 119 5.505 9.712 3.572 1.00 0.00 H new ATOM 0 HA ASP A 119 3.103 10.447 4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.434 12.058 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.344 12.640 5.055 1.00 0.00 H new ATOM 1850 N ALA A 120 3.357 11.543 1.908 1.00 0.00 N ATOM 1851 CA ALA A 120 2.535 12.135 0.818 1.00 0.00 C ATOM 1852 C ALA A 120 1.436 11.151 0.413 1.00 0.00 C ATOM 1853 O ALA A 120 0.309 11.531 0.170 1.00 0.00 O ATOM 1854 CB ALA A 120 3.507 12.364 -0.341 1.00 0.00 C ATOM 0 H ALA A 120 4.303 11.272 1.640 1.00 0.00 H new ATOM 0 HA ALA A 120 2.047 13.062 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.971 12.800 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.298 13.043 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.945 11.412 -0.642 1.00 0.00 H new ATOM 1860 N ALA A 121 1.752 9.886 0.346 1.00 0.00 N ATOM 1861 CA ALA A 121 0.716 8.884 -0.032 1.00 0.00 C ATOM 1862 C ALA A 121 -0.413 8.904 0.998 1.00 0.00 C ATOM 1863 O ALA A 121 -1.578 8.848 0.660 1.00 0.00 O ATOM 1864 CB ALA A 121 1.437 7.531 -0.021 1.00 0.00 C ATOM 0 H ALA A 121 2.679 9.505 0.536 1.00 0.00 H new ATOM 0 HA ALA A 121 0.271 9.089 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.735 6.742 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.256 7.549 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.834 7.338 0.976 1.00 0.00 H new ATOM 1870 N LEU A 122 -0.073 8.992 2.253 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.118 9.022 3.312 1.00 0.00 C ATOM 1872 C LEU A 122 -2.080 10.175 3.073 1.00 0.00 C ATOM 1873 O LEU A 122 -3.276 9.992 2.963 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.347 9.265 4.600 1.00 0.00 C ATOM 1875 CG LEU A 122 0.247 7.954 5.091 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.589 8.231 5.769 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.718 7.320 6.089 1.00 0.00 C ATOM 0 H LEU A 122 0.888 9.045 2.592 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.707 8.105 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.445 9.994 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -1.008 9.684 5.359 1.00 0.00 H new ATOM 0 HG LEU A 122 0.404 7.275 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.018 7.294 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.269 8.695 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.438 8.902 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.303 6.378 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.867 7.996 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.674 7.132 5.601 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.564 11.364 2.989 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.451 12.526 2.755 1.00 0.00 C ATOM 1891 C ALA A 123 -3.238 12.297 1.469 1.00 0.00 C ATOM 1892 O ALA A 123 -4.428 12.529 1.408 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.511 13.720 2.616 1.00 0.00 C ATOM 0 H ALA A 123 -0.571 11.580 3.072 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.173 12.684 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.094 14.624 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.931 13.835 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.835 13.555 1.777 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.583 11.823 0.443 1.00 0.00 N ATOM 1900 CA GLU A 124 -3.302 11.565 -0.831 1.00 0.00 C ATOM 1901 C GLU A 124 -4.427 10.557 -0.585 1.00 0.00 C ATOM 1902 O GLU A 124 -5.547 10.742 -1.019 1.00 0.00 O ATOM 1903 CB GLU A 124 -2.248 10.981 -1.770 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.763 11.026 -3.210 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.608 12.445 -3.758 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -1.673 13.116 -3.351 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.424 12.838 -4.575 1.00 0.00 O ATOM 0 H GLU A 124 -1.587 11.605 0.435 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.757 12.463 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.319 11.546 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.022 9.953 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.207 10.322 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.810 10.723 -3.244 1.00 0.00 H new ATOM 1914 N PHE A 125 -4.139 9.496 0.121 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.199 8.488 0.404 1.00 0.00 C ATOM 1916 C PHE A 125 -6.276 9.095 1.304 1.00 0.00 C ATOM 1917 O PHE A 125 -7.457 8.967 1.050 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.492 7.339 1.123 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.530 6.348 1.584 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -6.312 5.673 0.644 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.721 6.115 2.952 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -7.285 4.765 1.070 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.697 5.206 3.378 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.479 4.530 2.436 1.00 0.00 C ATOM 0 H PHE A 125 -3.221 9.285 0.512 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.692 8.150 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.779 6.856 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.926 7.717 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -6.165 5.853 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.115 6.637 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -7.889 4.243 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.846 5.027 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 125 -8.232 3.828 2.762 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.878 9.755 2.357 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.882 10.369 3.271 1.00 0.00 C ATOM 1936 C LEU A 126 -7.732 11.387 2.510 1.00 0.00 C ATOM 1937 O LEU A 126 -8.944 11.388 2.591 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.059 11.072 4.348 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.325 10.034 5.197 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.381 10.748 6.165 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.342 9.215 5.995 1.00 0.00 C ATOM 0 H LEU A 126 -4.903 9.895 2.623 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.563 9.629 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.342 11.751 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.710 11.677 4.979 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.753 9.372 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.856 10.010 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.657 11.335 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.956 11.408 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.819 8.475 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.913 9.878 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.020 8.708 5.308 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.098 12.261 1.780 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.857 13.293 1.019 1.00 0.00 C ATOM 1955 C ARG A 127 -8.660 12.648 -0.119 1.00 0.00 C ATOM 1956 O ARG A 127 -9.786 13.021 -0.384 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.779 14.228 0.465 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.409 15.558 0.045 1.00 0.00 C ATOM 1959 CD ARG A 127 -7.838 16.328 1.297 1.00 0.00 C ATOM 1960 NE ARG A 127 -8.454 17.585 0.791 1.00 0.00 N ATOM 1961 CZ ARG A 127 -9.646 17.563 0.259 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -10.282 16.430 0.121 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -10.199 18.676 -0.143 1.00 0.00 N ATOM 0 H ARG A 127 -6.084 12.306 1.677 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.581 13.820 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.012 14.401 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.286 13.763 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.695 16.146 -0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.270 15.379 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.549 15.752 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.984 16.539 1.941 1.00 0.00 H new ATOM 0 HE ARG A 127 -7.944 18.465 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -9.847 15.560 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -11.213 16.415 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -9.700 19.560 -0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -11.130 18.662 -0.559 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.090 11.688 -0.797 1.00 0.00 N ATOM 1978 CA LEU A 128 -8.820 11.026 -1.921 1.00 0.00 C ATOM 1979 C LEU A 128 -9.784 9.960 -1.399 1.00 0.00 C ATOM 1980 O LEU A 128 -10.715 9.571 -2.077 1.00 0.00 O ATOM 1981 CB LEU A 128 -7.730 10.384 -2.775 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.175 10.367 -4.239 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -8.509 11.790 -4.695 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -7.051 9.807 -5.112 1.00 0.00 C ATOM 0 H LEU A 128 -7.150 11.332 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.423 11.738 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.798 10.940 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.534 9.368 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.060 9.738 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.825 11.773 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -9.314 12.190 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.626 12.421 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.371 9.796 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.165 10.434 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -6.815 8.791 -4.794 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.571 9.478 -0.209 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.475 8.429 0.341 1.00 0.00 C ATOM 1998 C ALA A 129 -11.892 8.985 0.545 1.00 0.00 C ATOM 1999 O ALA A 129 -12.053 10.079 1.051 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.864 8.049 1.683 1.00 0.00 C ATOM 0 H ALA A 129 -8.811 9.764 0.408 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.564 7.577 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.473 7.278 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.854 7.670 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.827 8.927 2.328 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.881 8.210 0.161 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.644 6.875 -0.454 1.00 0.00 C ATOM 2008 C PRO A 130 -12.116 7.028 -1.885 1.00 0.00 C ATOM 2009 O PRO A 130 -12.467 7.953 -2.589 1.00 0.00 O ATOM 2010 CB PRO A 130 -14.028 6.236 -0.462 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.983 7.384 -0.456 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.312 8.510 0.281 1.00 0.00 C ATOM 0 HA PRO A 130 -11.904 6.284 0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.169 5.610 -1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -14.173 5.597 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.232 7.684 -1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.917 7.106 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.555 9.477 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.626 8.547 1.324 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.284 6.124 -2.323 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.754 6.228 -3.712 1.00 0.00 C ATOM 2022 C VAL A 131 -11.358 5.130 -4.587 1.00 0.00 C ATOM 2023 O VAL A 131 -11.957 4.190 -4.103 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.236 6.070 -3.602 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.626 7.362 -3.057 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.895 4.913 -2.660 1.00 0.00 C ATOM 0 H VAL A 131 -10.950 5.324 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.012 7.181 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.829 5.859 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.545 7.249 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.857 8.186 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.041 7.573 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.812 4.809 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.306 5.116 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.323 3.989 -3.049 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.223 5.256 -5.875 1.00 0.00 N ATOM 2037 CA GLU A 132 -11.806 4.240 -6.796 1.00 0.00 C ATOM 2038 C GLU A 132 -11.021 2.924 -6.754 1.00 0.00 C ATOM 2039 O GLU A 132 -10.040 2.747 -7.451 1.00 0.00 O ATOM 2040 CB GLU A 132 -11.724 4.888 -8.177 1.00 0.00 C ATOM 2041 CG GLU A 132 -12.733 6.036 -8.246 1.00 0.00 C ATOM 2042 CD GLU A 132 -12.735 6.641 -9.650 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -12.361 5.943 -10.577 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -13.115 7.794 -9.775 1.00 0.00 O ATOM 0 H GLU A 132 -10.731 6.023 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.827 3.976 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.716 5.261 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -11.937 4.152 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.729 5.672 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.479 6.800 -7.511 1.00 0.00 H new ATOM 2051 N THR A 133 -11.463 1.993 -5.951 1.00 0.00 N ATOM 2052 CA THR A 133 -10.768 0.674 -5.867 1.00 0.00 C ATOM 2053 C THR A 133 -11.530 -0.373 -6.688 1.00 0.00 C ATOM 2054 O THR A 133 -11.874 -1.431 -6.199 1.00 0.00 O ATOM 2055 CB THR A 133 -10.772 0.307 -4.381 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.897 0.898 -3.743 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.479 0.803 -3.734 1.00 0.00 C ATOM 0 H THR A 133 -12.279 2.089 -5.347 1.00 0.00 H new ATOM 0 HA THR A 133 -9.754 0.715 -6.265 1.00 0.00 H new ATOM 0 HB THR A 133 -10.835 -0.776 -4.272 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.897 0.659 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.479 0.543 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.625 0.335 -4.223 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.410 1.885 -3.842 1.00 0.00 H new ATOM 2065 N MET A 134 -11.800 -0.082 -7.931 1.00 0.00 N ATOM 2066 CA MET A 134 -12.546 -1.053 -8.784 1.00 0.00 C ATOM 2067 C MET A 134 -11.738 -2.342 -8.965 1.00 0.00 C ATOM 2068 O MET A 134 -12.249 -3.349 -9.413 1.00 0.00 O ATOM 2069 CB MET A 134 -12.735 -0.332 -10.116 1.00 0.00 C ATOM 2070 CG MET A 134 -13.527 0.956 -9.876 1.00 0.00 C ATOM 2071 SD MET A 134 -15.129 0.558 -9.130 1.00 0.00 S ATOM 2072 CE MET A 134 -16.161 1.468 -10.306 1.00 0.00 C ATOM 0 H MET A 134 -11.536 0.788 -8.394 1.00 0.00 H new ATOM 0 HA MET A 134 -13.497 -1.350 -8.343 1.00 0.00 H new ATOM 0 HB2 MET A 134 -11.767 -0.102 -10.560 1.00 0.00 H new ATOM 0 HB3 MET A 134 -13.264 -0.974 -10.820 1.00 0.00 H new ATOM 0 HG2 MET A 134 -12.966 1.623 -9.221 1.00 0.00 H new ATOM 0 HG3 MET A 134 -13.675 1.484 -10.818 1.00 0.00 H new ATOM 0 HE1 MET A 134 -17.210 1.358 -10.031 1.00 0.00 H new ATOM 0 HE2 MET A 134 -15.890 2.524 -10.287 1.00 0.00 H new ATOM 0 HE3 MET A 134 -16.005 1.072 -11.309 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.482 -2.318 -8.614 1.00 0.00 N ATOM 2083 CA ALA A 135 -9.639 -3.543 -8.758 1.00 0.00 C ATOM 2084 C ALA A 135 -9.376 -3.840 -10.238 1.00 0.00 C ATOM 2085 O ALA A 135 -8.286 -4.295 -10.544 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.454 -4.668 -8.113 1.00 0.00 C ATOM 2087 OXT ALA A 135 -10.266 -3.606 -11.038 1.00 0.00 O ATOM 0 H ALA A 135 -10.001 -1.503 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 135 -8.664 -3.429 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.899 -5.604 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -10.638 -4.429 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.406 -4.773 -8.634 1.00 0.00 H new