USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=18 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= 0.282 USER MOD Set 1.2: A 117 GLN : amide:sc= -4.75! C(o=-4.5!,f=-6!) USER MOD Set 2.1: A 110 GLN : amide:sc= 0.518 X(o=-1.6,f=-1.9) USER MOD Set 2.2: A 113 GLN : amide:sc= -2.1! C(o=-1.6!,f=-1.7!) USER MOD Single : A 4 GLN : amide:sc=-0.00282 X(o=-0.0028,f=0) USER MOD Single : A 8 CYS SG : rot -79:sc= -7.87! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00699 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 20 CYS SG : rot 88:sc= -0.112 USER MOD Single : A 21 GLN : amide:sc= -4.75! C(o=-4.8!,f=-7.2!) USER MOD Single : A 25 SER OG : rot -22:sc= 0.554 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.581 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 32 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.31) USER MOD Single : A 34 CYS SG : rot 115:sc= -2.11! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 45 GLN : amide:sc= -1.58! C(o=-1.6!,f=-3.7!) USER MOD Single : A 46 THR OG1 : rot -61:sc= 1.08 USER MOD Single : A 47 HIS : no HD1:sc= -5.01! C(o=-5!,f=-2.9!) USER MOD Single : A 50 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.78) USER MOD Single : A 53 CYS SG : rot -17:sc= -2.7! USER MOD Single : A 60 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.172 USER MOD Single : A 68 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -3.38! C(o=-3.4!,f=-5.9!) USER MOD Single : A 71 CYS SG : rot 52:sc= -6.57! USER MOD Single : A 99 TYR OH : rot -22:sc= 0.343 USER MOD Single : A 100 HIS : no HD1:sc= -9! C(o=-9!,f=-22!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.24) USER MOD Single : A 109 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-7.1!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 134 MET CE :methyl -161:sc= -0.192 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.709 4.009 16.182 1.00 0.00 N ATOM 51 CA GLN A 4 4.493 3.821 14.928 1.00 0.00 C ATOM 52 C GLN A 4 3.551 3.732 13.723 1.00 0.00 C ATOM 53 O GLN A 4 2.349 3.628 13.868 1.00 0.00 O ATOM 54 CB GLN A 4 5.234 2.496 15.114 1.00 0.00 C ATOM 55 CG GLN A 4 6.227 2.614 16.271 1.00 0.00 C ATOM 56 CD GLN A 4 7.009 1.306 16.402 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.931 0.635 17.412 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.767 0.911 15.415 1.00 0.00 N ATOM 0 HA GLN A 4 5.175 4.651 14.745 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.522 1.696 15.315 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.760 2.232 14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.911 3.444 16.095 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.698 2.829 17.199 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.834 1.473 14.566 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.293 0.040 15.492 1.00 0.00 H new ATOM 67 N ILE A 5 4.093 3.762 12.538 1.00 0.00 N ATOM 68 CA ILE A 5 3.244 3.669 11.316 1.00 0.00 C ATOM 69 C ILE A 5 3.265 2.236 10.776 1.00 0.00 C ATOM 70 O ILE A 5 4.306 1.615 10.694 1.00 0.00 O ATOM 71 CB ILE A 5 3.902 4.615 10.312 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.909 6.040 10.866 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.121 4.586 9.002 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.822 6.912 10.003 1.00 0.00 C ATOM 0 H ILE A 5 5.094 3.847 12.362 1.00 0.00 H new ATOM 0 HA ILE A 5 2.204 3.930 11.511 1.00 0.00 H new ATOM 0 HB ILE A 5 4.928 4.293 10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.897 6.446 10.871 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.257 6.039 11.899 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.589 5.260 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.121 3.572 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.094 4.905 9.183 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.830 7.929 10.395 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.834 6.508 10.021 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.453 6.921 8.977 1.00 0.00 H new ATOM 86 N ALA A 6 2.133 1.702 10.405 1.00 0.00 N ATOM 87 CA ALA A 6 2.120 0.315 9.876 1.00 0.00 C ATOM 88 C ALA A 6 2.194 0.330 8.352 1.00 0.00 C ATOM 89 O ALA A 6 1.344 0.879 7.686 1.00 0.00 O ATOM 90 CB ALA A 6 0.784 -0.263 10.329 1.00 0.00 C ATOM 0 H ALA A 6 1.225 2.165 10.446 1.00 0.00 H new ATOM 0 HA ALA A 6 2.968 -0.270 10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.694 -1.291 9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.730 -0.246 11.418 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.029 0.334 9.916 1.00 0.00 H new ATOM 96 N ILE A 7 3.191 -0.280 7.788 1.00 0.00 N ATOM 97 CA ILE A 7 3.287 -0.308 6.304 1.00 0.00 C ATOM 98 C ILE A 7 3.364 -1.759 5.830 1.00 0.00 C ATOM 99 O ILE A 7 4.023 -2.583 6.434 1.00 0.00 O ATOM 100 CB ILE A 7 4.558 0.469 5.959 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.416 1.906 6.470 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.754 0.484 4.441 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.622 2.734 6.025 1.00 0.00 C ATOM 0 H ILE A 7 3.942 -0.759 8.285 1.00 0.00 H new ATOM 0 HA ILE A 7 2.422 0.139 5.815 1.00 0.00 H new ATOM 0 HB ILE A 7 5.420 -0.007 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.497 2.349 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.342 1.910 7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.660 1.038 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.845 -0.539 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.897 0.964 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.517 3.755 6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.534 2.296 6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.676 2.742 4.936 1.00 0.00 H new ATOM 115 N CYS A 8 2.678 -2.085 4.773 1.00 0.00 N ATOM 116 CA CYS A 8 2.699 -3.492 4.283 1.00 0.00 C ATOM 117 C CYS A 8 3.385 -3.584 2.921 1.00 0.00 C ATOM 118 O CYS A 8 2.866 -3.132 1.919 1.00 0.00 O ATOM 119 CB CYS A 8 1.226 -3.880 4.160 1.00 0.00 C ATOM 120 SG CYS A 8 1.100 -5.474 3.318 1.00 0.00 S ATOM 0 H CYS A 8 2.105 -1.442 4.227 1.00 0.00 H new ATOM 0 HA CYS A 8 3.251 -4.150 4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.770 -3.940 5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.682 -3.117 3.603 1.00 0.00 H new ATOM 0 HG CYS A 8 1.240 -5.301 2.037 1.00 0.00 H new ATOM 126 N ILE A 9 4.550 -4.166 2.873 1.00 0.00 N ATOM 127 CA ILE A 9 5.265 -4.281 1.573 1.00 0.00 C ATOM 128 C ILE A 9 5.197 -5.711 1.030 1.00 0.00 C ATOM 129 O ILE A 9 5.434 -6.677 1.737 1.00 0.00 O ATOM 130 CB ILE A 9 6.713 -3.920 1.890 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.523 -3.815 0.590 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.307 -5.019 2.768 1.00 0.00 C ATOM 133 CD1 ILE A 9 9.018 -3.825 0.916 1.00 0.00 C ATOM 0 H ILE A 9 5.037 -4.566 3.675 1.00 0.00 H new ATOM 0 HA ILE A 9 4.823 -3.634 0.815 1.00 0.00 H new ATOM 0 HB ILE A 9 6.748 -2.961 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.279 -4.647 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.262 -2.899 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.343 -4.776 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.733 -5.097 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.269 -5.970 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.592 -3.750 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.256 -2.979 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.273 -4.753 1.428 1.00 0.00 H new ATOM 145 N TRP A 10 4.920 -5.848 -0.237 1.00 0.00 N ATOM 146 CA TRP A 10 4.889 -7.205 -0.851 1.00 0.00 C ATOM 147 C TRP A 10 5.990 -7.273 -1.898 1.00 0.00 C ATOM 148 O TRP A 10 5.835 -6.794 -3.004 1.00 0.00 O ATOM 149 CB TRP A 10 3.522 -7.370 -1.524 1.00 0.00 C ATOM 150 CG TRP A 10 3.596 -8.536 -2.466 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.433 -9.588 -2.313 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.845 -8.790 -3.691 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.250 -10.468 -3.363 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.282 -10.022 -4.238 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.841 -8.084 -4.378 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.744 -10.534 -5.417 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.297 -8.600 -5.567 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.749 -9.820 -6.085 1.00 0.00 C ATOM 0 H TRP A 10 4.714 -5.079 -0.874 1.00 0.00 H new ATOM 0 HA TRP A 10 5.041 -7.990 -0.110 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.748 -7.536 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.253 -6.462 -2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.132 -9.719 -1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.767 -11.340 -3.477 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.486 -7.141 -3.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.095 -11.477 -5.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.524 -8.051 -6.085 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.328 -10.208 -7.001 1.00 0.00 H new ATOM 169 N VAL A 11 7.107 -7.839 -1.566 1.00 0.00 N ATOM 170 CA VAL A 11 8.204 -7.896 -2.560 1.00 0.00 C ATOM 171 C VAL A 11 9.001 -9.190 -2.422 1.00 0.00 C ATOM 172 O VAL A 11 9.511 -9.515 -1.370 1.00 0.00 O ATOM 173 CB VAL A 11 9.067 -6.692 -2.224 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.461 -6.759 -0.750 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.318 -6.709 -3.101 1.00 0.00 C ATOM 0 H VAL A 11 7.309 -8.261 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 11 7.838 -7.878 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 11 8.514 -5.771 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.081 -5.898 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.563 -6.751 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.021 -7.676 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.941 -5.846 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.880 -7.624 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.027 -6.668 -4.151 1.00 0.00 H new ATOM 185 N GLU A 12 9.111 -9.923 -3.490 1.00 0.00 N ATOM 186 CA GLU A 12 9.876 -11.196 -3.453 1.00 0.00 C ATOM 187 C GLU A 12 11.383 -10.915 -3.472 1.00 0.00 C ATOM 188 O GLU A 12 12.171 -11.681 -2.954 1.00 0.00 O ATOM 189 CB GLU A 12 9.434 -11.943 -4.711 1.00 0.00 C ATOM 190 CG GLU A 12 8.084 -12.616 -4.453 1.00 0.00 C ATOM 191 CD GLU A 12 7.680 -13.439 -5.676 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.907 -12.973 -6.780 1.00 0.00 O ATOM 193 OE2 GLU A 12 7.152 -14.522 -5.487 1.00 0.00 O ATOM 0 H GLU A 12 8.700 -9.693 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 12 9.688 -11.775 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.354 -11.251 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.179 -12.690 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.148 -13.258 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.325 -11.863 -4.242 1.00 0.00 H new ATOM 200 N SER A 13 11.789 -9.824 -4.058 1.00 0.00 N ATOM 201 CA SER A 13 13.246 -9.503 -4.101 1.00 0.00 C ATOM 202 C SER A 13 13.698 -8.916 -2.762 1.00 0.00 C ATOM 203 O SER A 13 13.097 -7.998 -2.243 1.00 0.00 O ATOM 204 CB SER A 13 13.398 -8.464 -5.212 1.00 0.00 C ATOM 205 OG SER A 13 14.744 -8.467 -5.674 1.00 0.00 O ATOM 0 H SER A 13 11.179 -9.142 -4.508 1.00 0.00 H new ATOM 0 HA SER A 13 13.853 -10.389 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.718 -8.690 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.131 -7.475 -4.840 1.00 0.00 H new ATOM 0 HG SER A 13 14.846 -7.803 -6.388 1.00 0.00 H new ATOM 211 N THR A 14 14.759 -9.433 -2.203 1.00 0.00 N ATOM 212 CA THR A 14 15.249 -8.891 -0.903 1.00 0.00 C ATOM 213 C THR A 14 15.746 -7.461 -1.100 1.00 0.00 C ATOM 214 O THR A 14 15.457 -6.577 -0.315 1.00 0.00 O ATOM 215 CB THR A 14 16.413 -9.795 -0.502 1.00 0.00 C ATOM 216 OG1 THR A 14 16.019 -11.158 -0.601 1.00 0.00 O ATOM 217 CG2 THR A 14 16.825 -9.485 0.937 1.00 0.00 C ATOM 0 H THR A 14 15.305 -10.203 -2.588 1.00 0.00 H new ATOM 0 HA THR A 14 14.468 -8.872 -0.143 1.00 0.00 H new ATOM 0 HB THR A 14 17.256 -9.616 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.769 -11.735 -0.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.656 -10.130 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.133 -8.442 1.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.981 -9.662 1.603 1.00 0.00 H new ATOM 225 N ALA A 15 16.492 -7.227 -2.145 1.00 0.00 N ATOM 226 CA ALA A 15 17.011 -5.854 -2.399 1.00 0.00 C ATOM 227 C ALA A 15 15.854 -4.853 -2.384 1.00 0.00 C ATOM 228 O ALA A 15 15.892 -3.858 -1.686 1.00 0.00 O ATOM 229 CB ALA A 15 17.650 -5.923 -3.786 1.00 0.00 C ATOM 0 H ALA A 15 16.764 -7.928 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 15 17.725 -5.529 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.058 -4.947 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.452 -6.661 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.897 -6.210 -4.520 1.00 0.00 H new ATOM 235 N ILE A 16 14.811 -5.119 -3.125 1.00 0.00 N ATOM 236 CA ILE A 16 13.649 -4.188 -3.119 1.00 0.00 C ATOM 237 C ILE A 16 13.063 -4.165 -1.712 1.00 0.00 C ATOM 238 O ILE A 16 12.733 -3.129 -1.173 1.00 0.00 O ATOM 239 CB ILE A 16 12.657 -4.785 -4.114 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.219 -4.632 -5.530 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.315 -4.056 -4.007 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.442 -5.533 -6.493 1.00 0.00 C ATOM 0 H ILE A 16 14.715 -5.935 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 16 13.908 -3.165 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 16 12.504 -5.841 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.146 -3.593 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.276 -4.896 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.610 -4.485 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.922 -4.165 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.457 -2.998 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.844 -5.422 -7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.538 -6.572 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.390 -5.248 -6.489 1.00 0.00 H new ATOM 254 N LEU A 17 12.969 -5.314 -1.108 1.00 0.00 N ATOM 255 CA LEU A 17 12.441 -5.394 0.278 1.00 0.00 C ATOM 256 C LEU A 17 13.313 -4.544 1.192 1.00 0.00 C ATOM 257 O LEU A 17 12.830 -3.816 2.038 1.00 0.00 O ATOM 258 CB LEU A 17 12.546 -6.882 0.632 1.00 0.00 C ATOM 259 CG LEU A 17 12.629 -7.096 2.153 1.00 0.00 C ATOM 260 CD1 LEU A 17 14.060 -6.852 2.637 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.663 -6.157 2.890 1.00 0.00 C ATOM 0 H LEU A 17 13.238 -6.208 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 17 11.420 -5.027 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.681 -7.413 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.428 -7.309 0.155 1.00 0.00 H new ATOM 0 HG LEU A 17 12.344 -8.125 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.111 -7.005 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.736 -7.547 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.354 -5.829 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.739 -6.326 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.921 -5.122 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.642 -6.355 2.563 1.00 0.00 H new ATOM 273 N GLN A 18 14.601 -4.625 1.018 1.00 0.00 N ATOM 274 CA GLN A 18 15.518 -3.815 1.863 1.00 0.00 C ATOM 275 C GLN A 18 15.408 -2.341 1.492 1.00 0.00 C ATOM 276 O GLN A 18 15.199 -1.489 2.332 1.00 0.00 O ATOM 277 CB GLN A 18 16.922 -4.339 1.551 1.00 0.00 C ATOM 278 CG GLN A 18 17.148 -5.675 2.261 1.00 0.00 C ATOM 279 CD GLN A 18 18.594 -6.132 2.039 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.976 -6.465 0.935 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.422 -6.159 3.050 1.00 0.00 N ATOM 0 H GLN A 18 15.059 -5.218 0.326 1.00 0.00 H new ATOM 0 HA GLN A 18 15.280 -3.899 2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.042 -4.464 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.670 -3.615 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.948 -5.571 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.455 -6.424 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.103 -5.880 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.387 -6.459 2.911 1.00 0.00 H new ATOM 290 N ASP A 19 15.548 -2.026 0.236 1.00 0.00 N ATOM 291 CA ASP A 19 15.452 -0.604 -0.180 1.00 0.00 C ATOM 292 C ASP A 19 14.119 -0.013 0.280 1.00 0.00 C ATOM 293 O ASP A 19 14.055 1.099 0.763 1.00 0.00 O ATOM 294 CB ASP A 19 15.524 -0.639 -1.707 1.00 0.00 C ATOM 295 CG ASP A 19 16.735 -1.462 -2.146 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.462 -1.919 -1.280 1.00 0.00 O ATOM 297 OD2 ASP A 19 16.913 -1.623 -3.343 1.00 0.00 O ATOM 0 H ASP A 19 15.724 -2.691 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 19 16.240 0.012 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.610 -1.072 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.599 0.375 -2.101 1.00 0.00 H new ATOM 302 N CYS A 20 13.054 -0.755 0.140 1.00 0.00 N ATOM 303 CA CYS A 20 11.727 -0.235 0.574 1.00 0.00 C ATOM 304 C CYS A 20 11.741 0.075 2.071 1.00 0.00 C ATOM 305 O CYS A 20 11.314 1.130 2.499 1.00 0.00 O ATOM 306 CB CYS A 20 10.738 -1.361 0.273 1.00 0.00 C ATOM 307 SG CYS A 20 10.393 -1.404 -1.504 1.00 0.00 S ATOM 0 H CYS A 20 13.046 -1.695 -0.255 1.00 0.00 H new ATOM 0 HA CYS A 20 11.462 0.689 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.149 -2.317 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.814 -1.206 0.830 1.00 0.00 H new ATOM 0 HG CYS A 20 11.276 -2.149 -2.100 1.00 0.00 H new ATOM 313 N GLN A 21 12.232 -0.827 2.875 1.00 0.00 N ATOM 314 CA GLN A 21 12.268 -0.565 4.335 1.00 0.00 C ATOM 315 C GLN A 21 13.447 0.336 4.669 1.00 0.00 C ATOM 316 O GLN A 21 13.346 1.219 5.497 1.00 0.00 O ATOM 317 CB GLN A 21 12.420 -1.937 4.981 1.00 0.00 C ATOM 318 CG GLN A 21 11.160 -2.757 4.703 1.00 0.00 C ATOM 319 CD GLN A 21 11.258 -4.100 5.420 1.00 0.00 C ATOM 320 OE1 GLN A 21 10.259 -4.741 5.672 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.429 -4.557 5.758 1.00 0.00 N ATOM 0 H GLN A 21 12.608 -1.729 2.583 1.00 0.00 H new ATOM 0 HA GLN A 21 11.373 -0.056 4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.297 -2.447 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.573 -1.833 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.278 -2.215 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.044 -2.913 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.268 -4.017 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.508 -5.455 6.235 1.00 0.00 H new ATOM 330 N ARG A 22 14.565 0.146 4.019 1.00 0.00 N ATOM 331 CA ARG A 22 15.723 1.028 4.309 1.00 0.00 C ATOM 332 C ARG A 22 15.230 2.466 4.276 1.00 0.00 C ATOM 333 O ARG A 22 15.410 3.223 5.210 1.00 0.00 O ATOM 334 CB ARG A 22 16.721 0.770 3.179 1.00 0.00 C ATOM 335 CG ARG A 22 17.588 -0.456 3.502 1.00 0.00 C ATOM 336 CD ARG A 22 18.065 -0.382 4.951 1.00 0.00 C ATOM 337 NE ARG A 22 19.476 -0.864 4.934 1.00 0.00 N ATOM 338 CZ ARG A 22 20.229 -0.721 5.995 1.00 0.00 C ATOM 339 NH1 ARG A 22 19.777 -0.077 7.038 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.441 -1.207 6.008 1.00 0.00 N ATOM 0 H ARG A 22 14.722 -0.571 3.311 1.00 0.00 H new ATOM 0 HA ARG A 22 16.182 0.842 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.187 0.609 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.355 1.645 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.016 -1.370 3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.444 -0.495 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.004 0.637 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.447 -1.003 5.599 1.00 0.00 H new ATOM 0 HE ARG A 22 19.854 -1.305 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.836 0.315 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.365 0.033 7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.802 -1.699 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.027 -1.095 6.836 1.00 0.00 H new ATOM 354 N ALA A 23 14.558 2.831 3.219 1.00 0.00 N ATOM 355 CA ALA A 23 13.997 4.202 3.141 1.00 0.00 C ATOM 356 C ALA A 23 12.958 4.343 4.259 1.00 0.00 C ATOM 357 O ALA A 23 13.006 5.261 5.053 1.00 0.00 O ATOM 358 CB ALA A 23 13.354 4.298 1.752 1.00 0.00 C ATOM 0 H ALA A 23 14.375 2.238 2.409 1.00 0.00 H new ATOM 0 HA ALA A 23 14.736 4.993 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.916 5.288 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.113 4.133 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.575 3.542 1.659 1.00 0.00 H new ATOM 364 N LEU A 24 12.041 3.410 4.351 1.00 0.00 N ATOM 365 CA LEU A 24 11.026 3.460 5.440 1.00 0.00 C ATOM 366 C LEU A 24 11.597 2.792 6.696 1.00 0.00 C ATOM 367 O LEU A 24 11.035 1.852 7.222 1.00 0.00 O ATOM 368 CB LEU A 24 9.843 2.654 4.906 1.00 0.00 C ATOM 369 CG LEU A 24 9.367 3.273 3.595 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.236 2.439 3.001 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.855 4.681 3.863 1.00 0.00 C ATOM 0 H LEU A 24 11.955 2.616 3.716 1.00 0.00 H new ATOM 0 HA LEU A 24 10.741 4.478 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.136 1.616 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.033 2.648 5.635 1.00 0.00 H new ATOM 0 HG LEU A 24 10.200 3.303 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.904 2.890 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.592 1.427 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.403 2.404 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.514 5.128 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.026 4.638 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.658 5.287 4.283 1.00 0.00 H new ATOM 383 N SER A 25 12.717 3.264 7.170 1.00 0.00 N ATOM 384 CA SER A 25 13.333 2.649 8.382 1.00 0.00 C ATOM 385 C SER A 25 13.083 3.524 9.607 1.00 0.00 C ATOM 386 O SER A 25 13.445 3.168 10.712 1.00 0.00 O ATOM 387 CB SER A 25 14.827 2.557 8.080 1.00 0.00 C ATOM 388 OG SER A 25 15.502 2.012 9.208 1.00 0.00 O ATOM 0 H SER A 25 13.233 4.049 6.771 1.00 0.00 H new ATOM 0 HA SER A 25 12.908 1.670 8.601 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.995 1.931 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.224 3.545 7.846 1.00 0.00 H new ATOM 0 HG SER A 25 14.957 2.145 10.011 1.00 0.00 H new ATOM 394 N ALA A 26 12.456 4.658 9.418 1.00 0.00 N ATOM 395 CA ALA A 26 12.154 5.558 10.570 1.00 0.00 C ATOM 396 C ALA A 26 11.808 4.711 11.797 1.00 0.00 C ATOM 397 O ALA A 26 11.136 3.706 11.692 1.00 0.00 O ATOM 398 CB ALA A 26 10.938 6.373 10.116 1.00 0.00 C ATOM 0 H ALA A 26 12.139 5.000 8.511 1.00 0.00 H new ATOM 0 HA ALA A 26 12.992 6.199 10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.647 7.064 10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.192 6.936 9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.109 5.699 9.900 1.00 0.00 H new ATOM 404 N ASP A 27 12.278 5.084 12.952 1.00 0.00 N ATOM 405 CA ASP A 27 11.990 4.268 14.169 1.00 0.00 C ATOM 406 C ASP A 27 10.485 4.060 14.349 1.00 0.00 C ATOM 407 O ASP A 27 10.060 3.217 15.114 1.00 0.00 O ATOM 408 CB ASP A 27 12.565 5.065 15.340 1.00 0.00 C ATOM 409 CG ASP A 27 14.059 5.297 15.113 1.00 0.00 C ATOM 410 OD1 ASP A 27 14.390 6.064 14.223 1.00 0.00 O ATOM 411 OD2 ASP A 27 14.847 4.702 15.830 1.00 0.00 O ATOM 0 H ASP A 27 12.848 5.915 13.109 1.00 0.00 H new ATOM 0 HA ASP A 27 12.432 3.274 14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.048 6.020 15.433 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.408 4.525 16.274 1.00 0.00 H new ATOM 416 N ARG A 28 9.673 4.812 13.663 1.00 0.00 N ATOM 417 CA ARG A 28 8.205 4.633 13.815 1.00 0.00 C ATOM 418 C ARG A 28 7.633 3.888 12.609 1.00 0.00 C ATOM 419 O ARG A 28 6.475 4.036 12.276 1.00 0.00 O ATOM 420 CB ARG A 28 7.635 6.047 13.892 1.00 0.00 C ATOM 421 CG ARG A 28 8.002 6.815 12.622 1.00 0.00 C ATOM 422 CD ARG A 28 7.249 8.142 12.600 1.00 0.00 C ATOM 423 NE ARG A 28 7.900 8.936 11.525 1.00 0.00 N ATOM 424 CZ ARG A 28 7.514 10.160 11.296 1.00 0.00 C ATOM 425 NH1 ARG A 28 6.527 10.676 11.982 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.109 10.869 10.376 1.00 0.00 N ATOM 0 H ARG A 28 9.960 5.539 13.007 1.00 0.00 H new ATOM 0 HA ARG A 28 7.953 4.046 14.698 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.552 6.008 14.006 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.029 6.562 14.768 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.077 6.993 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.749 6.225 11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.190 7.991 12.393 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.317 8.650 13.562 1.00 0.00 H new ATOM 0 HE ARG A 28 8.648 8.524 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.058 10.121 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.226 11.634 11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.875 10.465 9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.808 11.827 10.196 1.00 0.00 H new ATOM 440 N TYR A 29 8.425 3.091 11.946 1.00 0.00 N ATOM 441 CA TYR A 29 7.888 2.356 10.769 1.00 0.00 C ATOM 442 C TYR A 29 7.730 0.875 11.076 1.00 0.00 C ATOM 443 O TYR A 29 8.654 0.203 11.486 1.00 0.00 O ATOM 444 CB TYR A 29 8.901 2.566 9.648 1.00 0.00 C ATOM 445 CG TYR A 29 8.474 3.752 8.828 1.00 0.00 C ATOM 446 CD1 TYR A 29 7.132 3.914 8.473 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.418 4.701 8.440 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.737 5.027 7.731 1.00 0.00 C ATOM 449 CE2 TYR A 29 9.028 5.812 7.696 1.00 0.00 C ATOM 450 CZ TYR A 29 7.685 5.980 7.340 1.00 0.00 C ATOM 451 OH TYR A 29 7.295 7.080 6.604 1.00 0.00 O ATOM 0 H TYR A 29 9.406 2.919 12.165 1.00 0.00 H new ATOM 0 HA TYR A 29 6.900 2.723 10.492 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.895 2.732 10.063 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.962 1.676 9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.401 3.178 8.773 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.454 4.575 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.700 5.154 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.762 6.544 7.394 1.00 0.00 H new ATOM 0 HH TYR A 29 8.076 7.642 6.417 1.00 0.00 H new ATOM 461 N GLN A 30 6.559 0.364 10.854 1.00 0.00 N ATOM 462 CA GLN A 30 6.311 -1.079 11.099 1.00 0.00 C ATOM 463 C GLN A 30 6.006 -1.742 9.761 1.00 0.00 C ATOM 464 O GLN A 30 4.875 -1.794 9.320 1.00 0.00 O ATOM 465 CB GLN A 30 5.102 -1.117 12.028 1.00 0.00 C ATOM 466 CG GLN A 30 4.753 -2.568 12.357 1.00 0.00 C ATOM 467 CD GLN A 30 3.433 -2.613 13.127 1.00 0.00 C ATOM 468 OE1 GLN A 30 3.230 -1.852 14.052 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.519 -3.475 12.778 1.00 0.00 N ATOM 0 H GLN A 30 5.754 0.888 10.510 1.00 0.00 H new ATOM 0 HA GLN A 30 7.157 -1.604 11.543 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.318 -0.568 12.944 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.252 -0.626 11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.671 -3.150 11.439 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.548 -3.019 12.951 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.690 -4.114 12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.633 -3.511 13.282 1.00 0.00 H new ATOM 478 N LEU A 31 7.019 -2.199 9.087 1.00 0.00 N ATOM 479 CA LEU A 31 6.806 -2.803 7.748 1.00 0.00 C ATOM 480 C LEU A 31 6.614 -4.317 7.825 1.00 0.00 C ATOM 481 O LEU A 31 7.422 -5.035 8.378 1.00 0.00 O ATOM 482 CB LEU A 31 8.082 -2.475 6.973 1.00 0.00 C ATOM 483 CG LEU A 31 8.487 -1.019 7.216 1.00 0.00 C ATOM 484 CD1 LEU A 31 9.948 -0.970 7.664 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.324 -0.231 5.915 1.00 0.00 C ATOM 0 H LEU A 31 7.988 -2.180 9.406 1.00 0.00 H new ATOM 0 HA LEU A 31 5.904 -2.412 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.887 -3.141 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.923 -2.643 5.908 1.00 0.00 H new ATOM 0 HG LEU A 31 7.856 -0.582 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.241 0.065 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.065 -1.540 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.581 -1.400 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.611 0.808 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.961 -0.665 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.284 -0.273 5.592 1.00 0.00 H new ATOM 497 N GLN A 32 5.560 -4.802 7.229 1.00 0.00 N ATOM 498 CA GLN A 32 5.313 -6.269 7.210 1.00 0.00 C ATOM 499 C GLN A 32 5.732 -6.802 5.841 1.00 0.00 C ATOM 500 O GLN A 32 5.217 -6.380 4.825 1.00 0.00 O ATOM 501 CB GLN A 32 3.803 -6.416 7.412 1.00 0.00 C ATOM 502 CG GLN A 32 3.428 -7.898 7.440 1.00 0.00 C ATOM 503 CD GLN A 32 4.226 -8.611 8.532 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.089 -8.306 9.701 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.060 -9.558 8.198 1.00 0.00 N ATOM 0 H GLN A 32 4.855 -4.240 6.751 1.00 0.00 H new ATOM 0 HA GLN A 32 5.867 -6.818 7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.503 -5.938 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.268 -5.911 6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.360 -8.009 7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.632 -8.353 6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.175 -9.814 7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.597 -10.042 8.918 1.00 0.00 H new ATOM 514 N VAL A 33 6.670 -7.703 5.785 1.00 0.00 N ATOM 515 CA VAL A 33 7.099 -8.208 4.453 1.00 0.00 C ATOM 516 C VAL A 33 6.484 -9.570 4.169 1.00 0.00 C ATOM 517 O VAL A 33 6.578 -10.490 4.958 1.00 0.00 O ATOM 518 CB VAL A 33 8.620 -8.302 4.518 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.161 -8.714 3.147 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.191 -6.937 4.897 1.00 0.00 C ATOM 0 H VAL A 33 7.152 -8.106 6.589 1.00 0.00 H new ATOM 0 HA VAL A 33 6.773 -7.547 3.649 1.00 0.00 H new ATOM 0 HB VAL A 33 8.911 -9.042 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.248 -8.782 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.748 -9.683 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.873 -7.970 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.278 -6.998 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.902 -6.201 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.801 -6.637 5.870 1.00 0.00 H new ATOM 530 N CYS A 34 5.858 -9.701 3.038 1.00 0.00 N ATOM 531 CA CYS A 34 5.233 -11.003 2.682 1.00 0.00 C ATOM 532 C CYS A 34 5.964 -11.615 1.489 1.00 0.00 C ATOM 533 O CYS A 34 6.104 -10.996 0.452 1.00 0.00 O ATOM 534 CB CYS A 34 3.791 -10.654 2.324 1.00 0.00 C ATOM 535 SG CYS A 34 2.951 -10.039 3.803 1.00 0.00 S ATOM 0 H CYS A 34 5.751 -8.963 2.342 1.00 0.00 H new ATOM 0 HA CYS A 34 5.281 -11.734 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.770 -9.899 1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.276 -11.533 1.936 1.00 0.00 H new ATOM 0 HG CYS A 34 2.630 -8.791 3.632 1.00 0.00 H new ATOM 541 N GLU A 35 6.442 -12.820 1.626 1.00 0.00 N ATOM 542 CA GLU A 35 7.173 -13.459 0.498 1.00 0.00 C ATOM 543 C GLU A 35 6.270 -13.545 -0.733 1.00 0.00 C ATOM 544 O GLU A 35 6.720 -13.411 -1.854 1.00 0.00 O ATOM 545 CB GLU A 35 7.543 -14.852 1.006 1.00 0.00 C ATOM 546 CG GLU A 35 8.444 -14.721 2.237 1.00 0.00 C ATOM 547 CD GLU A 35 9.192 -16.035 2.472 1.00 0.00 C ATOM 548 OE1 GLU A 35 9.874 -16.475 1.561 1.00 0.00 O ATOM 549 OE2 GLU A 35 9.075 -16.575 3.559 1.00 0.00 O ATOM 0 H GLU A 35 6.358 -13.389 2.469 1.00 0.00 H new ATOM 0 HA GLU A 35 8.055 -12.893 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.642 -15.410 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.056 -15.412 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.155 -13.907 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.845 -14.471 3.113 1.00 0.00 H new ATOM 556 N SER A 36 4.999 -13.760 -0.537 1.00 0.00 N ATOM 557 CA SER A 36 4.072 -13.844 -1.701 1.00 0.00 C ATOM 558 C SER A 36 3.143 -12.633 -1.717 1.00 0.00 C ATOM 559 O SER A 36 3.333 -11.681 -0.985 1.00 0.00 O ATOM 560 CB SER A 36 3.265 -15.122 -1.482 1.00 0.00 C ATOM 561 OG SER A 36 3.918 -16.210 -2.121 1.00 0.00 O ATOM 0 H SER A 36 4.562 -13.881 0.377 1.00 0.00 H new ATOM 0 HA SER A 36 4.607 -13.857 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.162 -15.321 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.258 -15.002 -1.882 1.00 0.00 H new ATOM 0 HG SER A 36 3.401 -17.031 -1.979 1.00 0.00 H new ATOM 567 N GLY A 37 2.115 -12.677 -2.518 1.00 0.00 N ATOM 568 CA GLY A 37 1.147 -11.554 -2.552 1.00 0.00 C ATOM 569 C GLY A 37 -0.038 -11.995 -1.715 1.00 0.00 C ATOM 570 O GLY A 37 -0.698 -11.213 -1.061 1.00 0.00 O ATOM 0 H GLY A 37 1.906 -13.448 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.592 -10.644 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.841 -11.334 -3.575 1.00 0.00 H new ATOM 574 N GLU A 38 -0.266 -13.277 -1.703 1.00 0.00 N ATOM 575 CA GLU A 38 -1.353 -13.848 -0.887 1.00 0.00 C ATOM 576 C GLU A 38 -1.038 -13.560 0.570 1.00 0.00 C ATOM 577 O GLU A 38 -1.900 -13.234 1.363 1.00 0.00 O ATOM 578 CB GLU A 38 -1.277 -15.345 -1.166 1.00 0.00 C ATOM 579 CG GLU A 38 -1.903 -15.656 -2.525 1.00 0.00 C ATOM 580 CD GLU A 38 -1.975 -17.174 -2.714 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.403 -17.880 -1.900 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.604 -17.603 -3.668 1.00 0.00 O ATOM 0 H GLU A 38 0.270 -13.961 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.341 -13.446 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.238 -15.674 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.797 -15.896 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.901 -15.223 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.311 -15.206 -3.322 1.00 0.00 H new ATOM 589 N MET A 39 0.215 -13.664 0.917 1.00 0.00 N ATOM 590 CA MET A 39 0.625 -13.382 2.307 1.00 0.00 C ATOM 591 C MET A 39 0.356 -11.911 2.615 1.00 0.00 C ATOM 592 O MET A 39 -0.112 -11.564 3.680 1.00 0.00 O ATOM 593 CB MET A 39 2.117 -13.719 2.362 1.00 0.00 C ATOM 594 CG MET A 39 2.278 -15.235 2.515 1.00 0.00 C ATOM 595 SD MET A 39 4.020 -15.693 2.346 1.00 0.00 S ATOM 596 CE MET A 39 3.782 -17.483 2.474 1.00 0.00 C ATOM 0 H MET A 39 0.972 -13.934 0.289 1.00 0.00 H new ATOM 0 HA MET A 39 0.077 -13.963 3.048 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.614 -13.377 1.455 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.589 -13.203 3.198 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.903 -15.552 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.683 -15.750 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.746 -17.985 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.327 -17.722 3.435 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.129 -17.822 1.669 1.00 0.00 H new ATOM 606 N LEU A 40 0.611 -11.045 1.672 1.00 0.00 N ATOM 607 CA LEU A 40 0.325 -9.603 1.896 1.00 0.00 C ATOM 608 C LEU A 40 -1.183 -9.436 2.048 1.00 0.00 C ATOM 609 O LEU A 40 -1.659 -8.737 2.922 1.00 0.00 O ATOM 610 CB LEU A 40 0.864 -8.886 0.639 1.00 0.00 C ATOM 611 CG LEU A 40 -0.133 -7.832 0.124 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.506 -6.869 1.254 1.00 0.00 C ATOM 613 CD2 LEU A 40 0.506 -7.039 -1.019 1.00 0.00 C ATOM 0 H LEU A 40 1.004 -11.275 0.759 1.00 0.00 H new ATOM 0 HA LEU A 40 0.789 -9.193 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.815 -8.407 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.059 -9.618 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.031 -8.337 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.212 -6.127 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.964 -7.427 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.392 -6.367 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.200 -6.293 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.406 -6.541 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.768 -7.718 -1.831 1.00 0.00 H new ATOM 625 N LEU A 41 -1.937 -10.075 1.200 1.00 0.00 N ATOM 626 CA LEU A 41 -3.411 -9.955 1.296 1.00 0.00 C ATOM 627 C LEU A 41 -3.889 -10.415 2.668 1.00 0.00 C ATOM 628 O LEU A 41 -4.640 -9.726 3.320 1.00 0.00 O ATOM 629 CB LEU A 41 -3.948 -10.874 0.199 1.00 0.00 C ATOM 630 CG LEU A 41 -3.573 -10.303 -1.165 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.016 -11.270 -2.264 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.275 -8.962 -1.352 1.00 0.00 C ATOM 0 H LEU A 41 -1.595 -10.673 0.448 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.755 -8.928 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.534 -11.876 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.031 -10.965 0.283 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.493 -10.165 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.748 -10.861 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.520 -12.231 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.096 -11.408 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.012 -8.546 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.354 -9.106 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.961 -8.274 -0.567 1.00 0.00 H new ATOM 644 N GLU A 42 -3.456 -11.568 3.110 1.00 0.00 N ATOM 645 CA GLU A 42 -3.894 -12.074 4.447 1.00 0.00 C ATOM 646 C GLU A 42 -3.541 -11.070 5.546 1.00 0.00 C ATOM 647 O GLU A 42 -4.316 -10.834 6.452 1.00 0.00 O ATOM 648 CB GLU A 42 -3.124 -13.377 4.656 1.00 0.00 C ATOM 649 CG GLU A 42 -3.676 -14.100 5.888 1.00 0.00 C ATOM 650 CD GLU A 42 -2.774 -15.284 6.245 1.00 0.00 C ATOM 651 OE1 GLU A 42 -1.927 -15.624 5.437 1.00 0.00 O ATOM 652 OE2 GLU A 42 -2.945 -15.830 7.323 1.00 0.00 O ATOM 0 H GLU A 42 -2.818 -12.181 2.603 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.973 -12.223 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.217 -14.013 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.062 -13.168 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.735 -13.410 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.689 -14.450 5.691 1.00 0.00 H new ATOM 659 N TYR A 43 -2.381 -10.475 5.478 1.00 0.00 N ATOM 660 CA TYR A 43 -2.006 -9.492 6.530 1.00 0.00 C ATOM 661 C TYR A 43 -3.018 -8.352 6.551 1.00 0.00 C ATOM 662 O TYR A 43 -3.464 -7.920 7.596 1.00 0.00 O ATOM 663 CB TYR A 43 -0.626 -8.968 6.125 1.00 0.00 C ATOM 664 CG TYR A 43 -0.324 -7.704 6.896 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.896 -7.502 8.158 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.517 -6.732 6.345 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.627 -6.327 8.868 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.786 -5.558 7.056 1.00 0.00 C ATOM 669 CZ TYR A 43 0.214 -5.354 8.318 1.00 0.00 C ATOM 670 OH TYR A 43 0.480 -4.194 9.018 1.00 0.00 O ATOM 0 H TYR A 43 -1.685 -10.625 4.748 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.991 -9.938 7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.135 -9.721 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.600 -8.769 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.545 -8.253 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.958 -6.888 5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.069 -6.171 9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.436 -4.807 6.631 1.00 0.00 H new ATOM 0 HH TYR A 43 1.083 -3.626 8.494 1.00 0.00 H new ATOM 680 N ALA A 44 -3.383 -7.859 5.405 1.00 0.00 N ATOM 681 CA ALA A 44 -4.360 -6.742 5.359 1.00 0.00 C ATOM 682 C ALA A 44 -5.731 -7.210 5.873 1.00 0.00 C ATOM 683 O ALA A 44 -6.508 -6.428 6.385 1.00 0.00 O ATOM 684 CB ALA A 44 -4.412 -6.342 3.886 1.00 0.00 C ATOM 0 H ALA A 44 -3.047 -8.181 4.498 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.077 -5.901 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.114 -5.518 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.421 -6.029 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.739 -7.193 3.289 1.00 0.00 H new ATOM 690 N GLN A 45 -6.030 -8.482 5.759 1.00 0.00 N ATOM 691 CA GLN A 45 -7.344 -8.988 6.264 1.00 0.00 C ATOM 692 C GLN A 45 -7.450 -8.726 7.763 1.00 0.00 C ATOM 693 O GLN A 45 -8.525 -8.593 8.313 1.00 0.00 O ATOM 694 CB GLN A 45 -7.340 -10.499 6.022 1.00 0.00 C ATOM 695 CG GLN A 45 -6.939 -10.811 4.585 1.00 0.00 C ATOM 696 CD GLN A 45 -7.694 -9.888 3.627 1.00 0.00 C ATOM 697 OE1 GLN A 45 -8.782 -9.440 3.929 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.163 -9.587 2.473 1.00 0.00 N ATOM 0 H GLN A 45 -5.424 -9.188 5.340 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.178 -8.497 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.647 -10.981 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.329 -10.908 6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.864 -10.680 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.162 -11.852 4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.249 -9.963 2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.662 -8.976 1.826 1.00 0.00 H new ATOM 707 N THR A 46 -6.332 -8.673 8.430 1.00 0.00 N ATOM 708 CA THR A 46 -6.349 -8.438 9.898 1.00 0.00 C ATOM 709 C THR A 46 -6.322 -6.942 10.159 1.00 0.00 C ATOM 710 O THR A 46 -6.811 -6.457 11.159 1.00 0.00 O ATOM 711 CB THR A 46 -5.073 -9.108 10.410 1.00 0.00 C ATOM 712 OG1 THR A 46 -3.953 -8.284 10.114 1.00 0.00 O ATOM 713 CG2 THR A 46 -4.907 -10.467 9.724 1.00 0.00 C ATOM 0 H THR A 46 -5.405 -8.783 8.020 1.00 0.00 H new ATOM 0 HA THR A 46 -7.235 -8.837 10.391 1.00 0.00 H new ATOM 0 HB THR A 46 -5.140 -9.250 11.489 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.879 -8.169 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.999 -10.949 10.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.767 -11.097 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.837 -10.324 8.646 1.00 0.00 H new ATOM 721 N HIS A 47 -5.759 -6.212 9.246 1.00 0.00 N ATOM 722 CA HIS A 47 -5.697 -4.742 9.396 1.00 0.00 C ATOM 723 C HIS A 47 -5.833 -4.093 8.024 1.00 0.00 C ATOM 724 O HIS A 47 -4.913 -4.100 7.233 1.00 0.00 O ATOM 725 CB HIS A 47 -4.326 -4.462 10.010 1.00 0.00 C ATOM 726 CG HIS A 47 -4.464 -4.464 11.505 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.456 -4.904 12.349 1.00 0.00 N ATOM 728 CD2 HIS A 47 -5.502 -4.093 12.319 1.00 0.00 C ATOM 729 CE1 HIS A 47 -3.909 -4.787 13.611 1.00 0.00 C ATOM 730 NE2 HIS A 47 -5.151 -4.296 13.649 1.00 0.00 N ATOM 0 H HIS A 47 -5.335 -6.577 8.393 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.495 -4.341 10.021 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.608 -5.219 9.695 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.946 -3.500 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.450 -3.702 11.979 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.338 -5.057 14.487 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.719 -4.110 14.475 1.00 0.00 H new ATOM 738 N ARG A 48 -6.974 -3.538 7.732 1.00 0.00 N ATOM 739 CA ARG A 48 -7.160 -2.885 6.405 1.00 0.00 C ATOM 740 C ARG A 48 -6.840 -1.405 6.551 1.00 0.00 C ATOM 741 O ARG A 48 -6.020 -0.848 5.849 1.00 0.00 O ATOM 742 CB ARG A 48 -8.643 -3.037 6.045 1.00 0.00 C ATOM 743 CG ARG A 48 -9.236 -4.301 6.666 1.00 0.00 C ATOM 744 CD ARG A 48 -10.600 -4.582 6.026 1.00 0.00 C ATOM 745 NE ARG A 48 -10.769 -6.056 6.113 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.108 -6.614 7.243 1.00 0.00 C ATOM 747 NH1 ARG A 48 -11.361 -5.879 8.293 1.00 0.00 N ATOM 748 NH2 ARG A 48 -11.209 -7.913 7.320 1.00 0.00 N ATOM 0 H ARG A 48 -7.784 -3.507 8.351 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.519 -3.327 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.196 -2.164 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.755 -3.074 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.566 -5.147 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.345 -4.175 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.399 -4.061 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.628 -4.242 4.991 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.619 -6.634 5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.294 -4.863 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.625 -6.321 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.023 -8.489 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.474 -8.353 8.202 1.00 0.00 H new ATOM 762 N ASP A 49 -7.505 -0.777 7.475 1.00 0.00 N ATOM 763 CA ASP A 49 -7.288 0.676 7.717 1.00 0.00 C ATOM 764 C ASP A 49 -6.091 0.892 8.647 1.00 0.00 C ATOM 765 O ASP A 49 -5.440 1.917 8.606 1.00 0.00 O ATOM 766 CB ASP A 49 -8.581 1.150 8.380 1.00 0.00 C ATOM 767 CG ASP A 49 -8.620 2.678 8.396 1.00 0.00 C ATOM 768 OD1 ASP A 49 -7.826 3.263 9.112 1.00 0.00 O ATOM 769 OD2 ASP A 49 -9.447 3.236 7.695 1.00 0.00 O ATOM 0 H ASP A 49 -8.199 -1.213 8.082 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.069 1.223 6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.443 0.760 7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.642 0.764 9.398 1.00 0.00 H new ATOM 774 N GLN A 50 -5.791 -0.067 9.483 1.00 0.00 N ATOM 775 CA GLN A 50 -4.630 0.094 10.407 1.00 0.00 C ATOM 776 C GLN A 50 -3.337 0.173 9.602 1.00 0.00 C ATOM 777 O GLN A 50 -2.328 0.660 10.074 1.00 0.00 O ATOM 778 CB GLN A 50 -4.649 -1.141 11.303 1.00 0.00 C ATOM 779 CG GLN A 50 -5.849 -1.049 12.248 1.00 0.00 C ATOM 780 CD GLN A 50 -5.745 0.233 13.075 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.679 0.584 13.541 1.00 0.00 O ATOM 782 NE2 GLN A 50 -6.814 0.953 13.277 1.00 0.00 N ATOM 0 H GLN A 50 -6.296 -0.949 9.566 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.691 1.008 10.998 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.714 -2.045 10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.723 -1.206 11.875 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.777 -1.052 11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.876 -1.918 12.905 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.709 0.658 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.755 1.811 13.826 1.00 0.00 H new ATOM 791 N ILE A 51 -3.360 -0.283 8.382 1.00 0.00 N ATOM 792 CA ILE A 51 -2.134 -0.210 7.548 1.00 0.00 C ATOM 793 C ILE A 51 -1.918 1.239 7.121 1.00 0.00 C ATOM 794 O ILE A 51 -2.745 1.835 6.459 1.00 0.00 O ATOM 795 CB ILE A 51 -2.406 -1.100 6.342 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.056 -2.408 6.806 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.085 -1.405 5.642 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.340 -2.934 8.054 1.00 0.00 C ATOM 0 H ILE A 51 -4.173 -0.701 7.929 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.239 -0.538 8.077 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.079 -0.591 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.111 -2.242 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.008 -3.150 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.270 -2.042 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.623 -0.474 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.417 -1.918 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.808 -3.864 8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.291 -3.118 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.411 -2.195 8.852 1.00 0.00 H new ATOM 810 N ASP A 52 -0.831 1.815 7.531 1.00 0.00 N ATOM 811 CA ASP A 52 -0.566 3.234 7.194 1.00 0.00 C ATOM 812 C ASP A 52 -0.011 3.389 5.779 1.00 0.00 C ATOM 813 O ASP A 52 -0.034 4.468 5.221 1.00 0.00 O ATOM 814 CB ASP A 52 0.463 3.675 8.230 1.00 0.00 C ATOM 815 CG ASP A 52 -0.247 4.043 9.533 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.460 3.920 9.579 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.434 4.441 10.464 1.00 0.00 O ATOM 0 H ASP A 52 -0.108 1.361 8.090 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.476 3.834 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.181 2.874 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.026 4.530 7.857 1.00 0.00 H new ATOM 822 N CYS A 53 0.497 2.344 5.194 1.00 0.00 N ATOM 823 CA CYS A 53 1.053 2.483 3.819 1.00 0.00 C ATOM 824 C CYS A 53 1.410 1.112 3.245 1.00 0.00 C ATOM 825 O CYS A 53 2.179 0.372 3.823 1.00 0.00 O ATOM 826 CB CYS A 53 2.302 3.337 4.013 1.00 0.00 C ATOM 827 SG CYS A 53 2.254 4.744 2.877 1.00 0.00 S ATOM 0 H CYS A 53 0.552 1.410 5.600 1.00 0.00 H new ATOM 0 HA CYS A 53 0.348 2.930 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.358 3.689 5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.196 2.740 3.831 1.00 0.00 H new ATOM 0 HG CYS A 53 1.382 4.516 1.940 1.00 0.00 H new ATOM 833 N LEU A 54 0.864 0.758 2.114 1.00 0.00 N ATOM 834 CA LEU A 54 1.198 -0.576 1.532 1.00 0.00 C ATOM 835 C LEU A 54 2.140 -0.409 0.339 1.00 0.00 C ATOM 836 O LEU A 54 1.932 0.430 -0.514 1.00 0.00 O ATOM 837 CB LEU A 54 -0.139 -1.172 1.092 1.00 0.00 C ATOM 838 CG LEU A 54 0.007 -2.686 0.925 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.376 -3.336 0.919 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.716 -2.990 -0.396 1.00 0.00 C ATOM 0 H LEU A 54 0.210 1.324 1.573 1.00 0.00 H new ATOM 0 HA LEU A 54 1.707 -1.222 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.909 -0.950 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.459 -0.721 0.153 1.00 0.00 H new ATOM 0 HG LEU A 54 0.593 -3.085 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.271 -4.414 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.882 -3.123 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.963 -2.935 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.819 -4.069 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.131 -2.589 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.704 -2.529 -0.393 1.00 0.00 H new ATOM 852 N ILE A 55 3.179 -1.197 0.265 1.00 0.00 N ATOM 853 CA ILE A 55 4.118 -1.058 -0.884 1.00 0.00 C ATOM 854 C ILE A 55 3.882 -2.168 -1.896 1.00 0.00 C ATOM 855 O ILE A 55 3.588 -3.294 -1.547 1.00 0.00 O ATOM 856 CB ILE A 55 5.510 -1.186 -0.293 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.658 -0.220 0.879 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.547 -0.854 -1.367 1.00 0.00 C ATOM 859 CD1 ILE A 55 6.849 -0.651 1.732 1.00 0.00 C ATOM 0 H ILE A 55 3.416 -1.922 0.942 1.00 0.00 H new ATOM 0 HA ILE A 55 3.980 -0.109 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 55 5.665 -2.205 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.805 0.796 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.748 -0.214 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.548 -0.945 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.440 -1.546 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.392 0.166 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.962 0.034 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.681 -1.661 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.755 -0.635 1.126 1.00 0.00 H new ATOM 871 N LEU A 56 4.007 -1.860 -3.150 1.00 0.00 N ATOM 872 CA LEU A 56 3.786 -2.897 -4.182 1.00 0.00 C ATOM 873 C LEU A 56 4.798 -2.764 -5.316 1.00 0.00 C ATOM 874 O LEU A 56 5.304 -1.697 -5.597 1.00 0.00 O ATOM 875 CB LEU A 56 2.375 -2.632 -4.685 1.00 0.00 C ATOM 876 CG LEU A 56 1.374 -3.083 -3.622 1.00 0.00 C ATOM 877 CD1 LEU A 56 -0.048 -2.866 -4.132 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.593 -4.568 -3.321 1.00 0.00 C ATOM 0 H LEU A 56 4.252 -0.935 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 56 3.906 -3.906 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.245 -1.571 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.201 -3.169 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 56 1.520 -2.501 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.760 -3.188 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.200 -1.808 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.201 -3.446 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.881 -4.894 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.446 -5.149 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.608 -4.719 -2.954 1.00 0.00 H new ATOM 890 N VAL A 57 5.077 -3.846 -5.978 1.00 0.00 N ATOM 891 CA VAL A 57 6.038 -3.805 -7.111 1.00 0.00 C ATOM 892 C VAL A 57 5.276 -4.116 -8.403 1.00 0.00 C ATOM 893 O VAL A 57 4.960 -5.254 -8.690 1.00 0.00 O ATOM 894 CB VAL A 57 7.061 -4.898 -6.789 1.00 0.00 C ATOM 895 CG1 VAL A 57 7.973 -5.129 -7.995 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.907 -4.461 -5.590 1.00 0.00 C ATOM 0 H VAL A 57 4.678 -4.764 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 57 6.525 -2.839 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 57 6.536 -5.824 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.698 -5.908 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.373 -5.439 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.498 -4.205 -8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.637 -5.237 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.427 -3.534 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.260 -4.301 -4.727 1.00 0.00 H new ATOM 906 N ALA A 58 4.955 -3.112 -9.169 1.00 0.00 N ATOM 907 CA ALA A 58 4.184 -3.342 -10.425 1.00 0.00 C ATOM 908 C ALA A 58 4.936 -4.284 -11.366 1.00 0.00 C ATOM 909 O ALA A 58 4.364 -4.858 -12.272 1.00 0.00 O ATOM 910 CB ALA A 58 4.036 -1.958 -11.052 1.00 0.00 C ATOM 0 H ALA A 58 5.193 -2.138 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 58 3.220 -3.812 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.478 -2.039 -11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.501 -1.302 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.023 -1.543 -11.255 1.00 0.00 H new ATOM 916 N ALA A 59 6.210 -4.445 -11.164 1.00 0.00 N ATOM 917 CA ALA A 59 7.000 -5.344 -12.052 1.00 0.00 C ATOM 918 C ALA A 59 6.431 -6.771 -12.052 1.00 0.00 C ATOM 919 O ALA A 59 6.648 -7.527 -12.978 1.00 0.00 O ATOM 920 CB ALA A 59 8.411 -5.325 -11.463 1.00 0.00 C ATOM 0 H ALA A 59 6.742 -3.993 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 59 6.976 -5.013 -13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.063 -5.964 -12.059 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.796 -4.305 -11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.382 -5.692 -10.437 1.00 0.00 H new ATOM 926 N ASN A 60 5.710 -7.155 -11.030 1.00 0.00 N ATOM 927 CA ASN A 60 5.148 -8.542 -11.003 1.00 0.00 C ATOM 928 C ASN A 60 3.953 -8.662 -11.959 1.00 0.00 C ATOM 929 O ASN A 60 3.331 -7.677 -12.305 1.00 0.00 O ATOM 930 CB ASN A 60 4.712 -8.769 -9.556 1.00 0.00 C ATOM 931 CG ASN A 60 5.866 -9.390 -8.764 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.413 -8.766 -7.877 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.261 -10.601 -9.048 1.00 0.00 N ATOM 0 H ASN A 60 5.487 -6.576 -10.220 1.00 0.00 H new ATOM 0 HA ASN A 60 5.878 -9.284 -11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.414 -7.824 -9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.842 -9.425 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.029 -11.023 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.802 -11.126 -9.793 1.00 0.00 H new ATOM 940 N PRO A 61 3.682 -9.878 -12.359 1.00 0.00 N ATOM 941 CA PRO A 61 2.560 -10.149 -13.290 1.00 0.00 C ATOM 942 C PRO A 61 1.223 -10.229 -12.546 1.00 0.00 C ATOM 943 O PRO A 61 0.349 -9.406 -12.736 1.00 0.00 O ATOM 944 CB PRO A 61 2.923 -11.500 -13.895 1.00 0.00 C ATOM 945 CG PRO A 61 3.817 -12.170 -12.893 1.00 0.00 C ATOM 946 CD PRO A 61 4.394 -11.104 -11.989 1.00 0.00 C ATOM 0 HA PRO A 61 2.433 -9.363 -14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.030 -12.097 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.431 -11.376 -14.851 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.255 -12.900 -12.310 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.616 -12.713 -13.399 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.240 -11.350 -10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.469 -10.998 -12.137 1.00 0.00 H new ATOM 954 N SER A 62 1.050 -11.215 -11.712 1.00 0.00 N ATOM 955 CA SER A 62 -0.239 -11.347 -10.965 1.00 0.00 C ATOM 956 C SER A 62 -0.373 -10.240 -9.916 1.00 0.00 C ATOM 957 O SER A 62 -1.351 -10.170 -9.198 1.00 0.00 O ATOM 958 CB SER A 62 -0.181 -12.715 -10.285 1.00 0.00 C ATOM 959 OG SER A 62 0.903 -13.465 -10.818 1.00 0.00 O ATOM 0 H SER A 62 1.743 -11.937 -11.513 1.00 0.00 H new ATOM 0 HA SER A 62 -1.097 -11.259 -11.631 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.058 -12.593 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.118 -13.250 -10.440 1.00 0.00 H new ATOM 0 HG SER A 62 0.941 -14.341 -10.381 1.00 0.00 H new ATOM 965 N PHE A 63 0.598 -9.376 -9.817 1.00 0.00 N ATOM 966 CA PHE A 63 0.519 -8.283 -8.811 1.00 0.00 C ATOM 967 C PHE A 63 -0.830 -7.546 -8.916 1.00 0.00 C ATOM 968 O PHE A 63 -1.511 -7.348 -7.930 1.00 0.00 O ATOM 969 CB PHE A 63 1.696 -7.359 -9.150 1.00 0.00 C ATOM 970 CG PHE A 63 1.391 -5.960 -8.689 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.170 -5.705 -7.335 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.308 -4.921 -9.620 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.866 -4.415 -6.909 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.010 -3.623 -9.195 1.00 0.00 C ATOM 975 CZ PHE A 63 0.787 -3.369 -7.836 1.00 0.00 C ATOM 0 H PHE A 63 1.442 -9.380 -10.389 1.00 0.00 H new ATOM 0 HA PHE A 63 0.578 -8.650 -7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.605 -7.721 -8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.879 -7.366 -10.224 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.235 -6.509 -6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.474 -5.121 -10.668 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.691 -4.221 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.952 -2.818 -9.913 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.555 -2.368 -7.504 1.00 0.00 H new ATOM 985 N ARG A 64 -1.226 -7.140 -10.096 1.00 0.00 N ATOM 986 CA ARG A 64 -2.534 -6.427 -10.231 1.00 0.00 C ATOM 987 C ARG A 64 -3.647 -7.284 -9.636 1.00 0.00 C ATOM 988 O ARG A 64 -4.594 -6.786 -9.058 1.00 0.00 O ATOM 989 CB ARG A 64 -2.754 -6.240 -11.735 1.00 0.00 C ATOM 990 CG ARG A 64 -2.091 -4.939 -12.187 1.00 0.00 C ATOM 991 CD ARG A 64 -0.601 -5.182 -12.414 1.00 0.00 C ATOM 992 NE ARG A 64 -0.336 -4.673 -13.788 1.00 0.00 N ATOM 993 CZ ARG A 64 0.727 -5.065 -14.437 1.00 0.00 C ATOM 994 NH1 ARG A 64 1.572 -5.886 -13.875 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.947 -4.633 -15.647 1.00 0.00 N ATOM 0 H ARG A 64 -0.707 -7.269 -10.964 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.535 -5.471 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.335 -7.084 -12.283 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.821 -6.214 -11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.556 -4.581 -13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.234 -4.164 -11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.002 -4.656 -11.674 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.356 -6.241 -12.331 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.985 -4.017 -14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.402 -6.223 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.402 -6.191 -14.384 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.289 -3.989 -16.086 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.777 -4.939 -16.155 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.531 -8.576 -9.767 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.566 -9.483 -9.201 1.00 0.00 C ATOM 1011 C ALA A 65 -4.524 -9.406 -7.679 1.00 0.00 C ATOM 1012 O ALA A 65 -5.540 -9.381 -7.014 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.165 -10.879 -9.681 1.00 0.00 C ATOM 0 H ALA A 65 -2.760 -9.044 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.578 -9.224 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.880 -11.612 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.160 -10.902 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.169 -11.120 -9.309 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.351 -9.358 -7.126 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.232 -9.265 -5.652 1.00 0.00 C ATOM 1021 C VAL A 66 -3.782 -7.916 -5.188 1.00 0.00 C ATOM 1022 O VAL A 66 -4.469 -7.817 -4.193 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.730 -9.365 -5.389 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.436 -9.110 -3.912 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.245 -10.763 -5.775 1.00 0.00 C ATOM 0 H VAL A 66 -2.466 -9.379 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.788 -10.037 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.210 -8.615 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.363 -9.184 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.780 -8.112 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.955 -9.852 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.174 -10.841 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.771 -11.508 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.444 -10.938 -6.832 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.491 -6.876 -5.916 1.00 0.00 N ATOM 1036 CA VAL A 67 -3.994 -5.532 -5.524 1.00 0.00 C ATOM 1037 C VAL A 67 -5.525 -5.510 -5.542 1.00 0.00 C ATOM 1038 O VAL A 67 -6.153 -5.081 -4.592 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.430 -4.575 -6.570 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.756 -3.136 -6.162 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.912 -4.752 -6.663 1.00 0.00 C ATOM 0 H VAL A 67 -2.927 -6.899 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.687 -5.257 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.876 -4.790 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.355 -2.447 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.837 -3.012 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.308 -2.923 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.511 -4.068 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.461 -4.537 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.682 -5.778 -6.950 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.143 -5.969 -6.603 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.632 -5.954 -6.624 1.00 0.00 C ATOM 1053 C GLN A 68 -8.156 -6.823 -5.481 1.00 0.00 C ATOM 1054 O GLN A 68 -9.206 -6.570 -4.926 1.00 0.00 O ATOM 1055 CB GLN A 68 -8.041 -6.506 -7.994 1.00 0.00 C ATOM 1056 CG GLN A 68 -7.576 -7.952 -8.144 1.00 0.00 C ATOM 1057 CD GLN A 68 -8.144 -8.533 -9.438 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.585 -8.344 -10.499 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -9.246 -9.231 -9.398 1.00 0.00 N ATOM 0 H GLN A 68 -5.690 -6.345 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.047 -4.956 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.124 -6.452 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.607 -5.894 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.487 -7.996 -8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.907 -8.543 -7.290 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.717 -9.391 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.637 -9.617 -10.258 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.415 -7.835 -5.103 1.00 0.00 N ATOM 1069 CA GLN A 69 -7.860 -8.698 -3.971 1.00 0.00 C ATOM 1070 C GLN A 69 -7.996 -7.832 -2.717 1.00 0.00 C ATOM 1071 O GLN A 69 -8.957 -7.932 -1.980 1.00 0.00 O ATOM 1072 CB GLN A 69 -6.752 -9.739 -3.804 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.212 -10.834 -2.842 1.00 0.00 C ATOM 1074 CD GLN A 69 -6.778 -12.198 -3.383 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -5.942 -12.276 -4.260 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -7.316 -13.284 -2.896 1.00 0.00 N ATOM 0 H GLN A 69 -6.526 -8.098 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.823 -9.177 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.500 -10.174 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.848 -9.264 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.783 -10.669 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.296 -10.803 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.018 -13.219 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.034 -14.197 -3.252 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.049 -6.958 -2.486 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.141 -6.060 -1.300 1.00 0.00 C ATOM 1087 C LEU A 70 -8.443 -5.270 -1.388 1.00 0.00 C ATOM 1088 O LEU A 70 -9.212 -5.195 -0.450 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.942 -5.114 -1.416 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.737 -5.706 -0.683 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.495 -5.605 -1.565 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.500 -4.917 0.602 1.00 0.00 C ATOM 0 H LEU A 70 -6.220 -6.829 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.132 -6.602 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.696 -4.952 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.193 -4.141 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.932 -6.753 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.639 -6.028 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.660 -6.156 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.297 -4.558 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.642 -5.332 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.304 -3.873 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.384 -4.981 1.237 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.689 -4.683 -2.525 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.939 -3.895 -2.716 1.00 0.00 C ATOM 1106 C CYS A 71 -11.174 -4.779 -2.518 1.00 0.00 C ATOM 1107 O CYS A 71 -12.217 -4.315 -2.102 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.866 -3.413 -4.162 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.478 -2.271 -4.355 1.00 0.00 S ATOM 0 H CYS A 71 -8.073 -4.715 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.022 -3.076 -2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.746 -4.263 -4.833 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.797 -2.918 -4.438 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.397 -2.818 -3.882 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.076 -6.046 -2.827 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.260 -6.940 -2.666 1.00 0.00 C ATOM 1117 C PHE A 72 -12.770 -6.875 -1.224 1.00 0.00 C ATOM 1118 O PHE A 72 -13.909 -6.526 -0.981 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.751 -8.342 -3.011 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.916 -9.268 -3.300 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -14.222 -8.904 -2.941 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -12.684 -10.496 -3.931 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -15.290 -9.769 -3.209 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -13.752 -11.359 -4.201 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.055 -10.997 -3.840 1.00 0.00 C ATOM 0 H PHE A 72 -10.233 -6.498 -3.182 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.094 -6.652 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.092 -8.294 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.161 -8.736 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.404 -7.956 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.679 -10.778 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.295 -9.489 -2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -13.571 -12.305 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.878 -11.664 -4.048 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.940 -7.176 -0.261 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.405 -7.090 1.154 1.00 0.00 C ATOM 1137 C GLU A 73 -12.587 -5.617 1.523 1.00 0.00 C ATOM 1138 O GLU A 73 -13.159 -5.284 2.543 1.00 0.00 O ATOM 1139 CB GLU A 73 -11.301 -7.724 2.000 1.00 0.00 C ATOM 1140 CG GLU A 73 -11.176 -9.206 1.652 1.00 0.00 C ATOM 1141 CD GLU A 73 -11.730 -10.050 2.803 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -11.744 -9.560 3.920 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -12.135 -11.172 2.548 1.00 0.00 O ATOM 0 H GLU A 73 -10.973 -7.474 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.355 -7.600 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.353 -7.216 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.528 -7.607 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.722 -9.422 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.132 -9.461 1.470 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.103 -4.735 0.691 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.241 -3.282 0.975 1.00 0.00 C ATOM 1152 C GLY A 74 -10.949 -2.744 1.591 1.00 0.00 C ATOM 1153 O GLY A 74 -10.880 -1.601 1.993 1.00 0.00 O ATOM 0 H GLY A 74 -11.616 -4.962 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.467 -2.743 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.076 -3.114 1.656 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.918 -3.546 1.673 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.654 -3.034 2.273 1.00 0.00 C ATOM 1159 C VAL A 75 -8.003 -1.999 1.351 1.00 0.00 C ATOM 1160 O VAL A 75 -7.119 -2.309 0.579 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.746 -4.256 2.437 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.438 -3.831 3.106 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.440 -5.298 3.314 1.00 0.00 C ATOM 0 H VAL A 75 -9.897 -4.515 1.356 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.834 -2.539 3.227 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.538 -4.684 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.790 -4.700 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.938 -3.087 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.652 -3.403 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.792 -6.167 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.648 -4.868 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.376 -5.603 2.845 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.423 -0.765 1.446 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.820 0.304 0.595 1.00 0.00 C ATOM 1175 C VAL A 76 -6.856 1.128 1.459 1.00 0.00 C ATOM 1176 O VAL A 76 -7.186 1.522 2.558 1.00 0.00 O ATOM 1177 CB VAL A 76 -9.003 1.150 0.114 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.563 2.032 -1.057 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.135 0.227 -0.350 1.00 0.00 C ATOM 0 H VAL A 76 -9.159 -0.450 2.078 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.253 -0.082 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.352 1.779 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.407 2.633 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.756 2.690 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.213 1.403 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.977 0.828 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.781 -0.401 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.453 -0.404 0.480 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.657 1.352 0.995 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.662 2.111 1.821 1.00 0.00 C ATOM 1191 C VAL A 77 -3.774 2.988 0.941 1.00 0.00 C ATOM 1192 O VAL A 77 -3.735 2.821 -0.256 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.794 1.020 2.450 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.558 0.315 3.568 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.419 0.000 1.366 1.00 0.00 C ATOM 0 H VAL A 77 -5.319 1.045 0.083 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.152 2.763 2.544 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.895 1.471 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.928 -0.459 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.831 1.039 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.461 -0.139 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.800 -0.784 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.326 -0.442 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.865 0.500 0.572 1.00 0.00 H new ATOM 1205 N PRO A 78 -3.031 3.858 1.573 1.00 0.00 N ATOM 1206 CA PRO A 78 -2.081 4.709 0.823 1.00 0.00 C ATOM 1207 C PRO A 78 -0.979 3.793 0.303 1.00 0.00 C ATOM 1208 O PRO A 78 0.043 3.607 0.935 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.552 5.677 1.877 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.745 4.960 3.171 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.994 4.130 3.014 1.00 0.00 C ATOM 0 HA PRO A 78 -2.505 5.246 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.502 5.914 1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.098 6.620 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.885 4.329 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.849 5.666 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.943 3.210 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.881 4.669 3.346 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.212 3.166 -0.809 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.210 2.205 -1.339 1.00 0.00 C ATOM 1221 C ALA A 79 0.728 2.850 -2.363 1.00 0.00 C ATOM 1222 O ALA A 79 0.309 3.582 -3.237 1.00 0.00 O ATOM 1223 CB ALA A 79 -1.057 1.112 -1.991 1.00 0.00 C ATOM 0 H ALA A 79 -2.053 3.276 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 79 0.445 1.829 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.403 0.350 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.705 0.658 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.667 1.548 -2.782 1.00 0.00 H new ATOM 1229 N ILE A 80 1.999 2.557 -2.263 1.00 0.00 N ATOM 1230 CA ILE A 80 2.989 3.113 -3.227 1.00 0.00 C ATOM 1231 C ILE A 80 3.319 2.034 -4.266 1.00 0.00 C ATOM 1232 O ILE A 80 3.507 0.883 -3.929 1.00 0.00 O ATOM 1233 CB ILE A 80 4.221 3.447 -2.378 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.813 4.369 -1.221 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.261 4.153 -3.247 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.896 4.356 -0.135 1.00 0.00 C ATOM 0 H ILE A 80 2.395 1.949 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 80 2.627 3.991 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 80 4.645 2.526 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.667 5.385 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.862 4.041 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.138 4.391 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.552 3.499 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.836 5.073 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.599 5.013 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.021 3.341 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.838 4.705 -0.557 1.00 0.00 H new ATOM 1248 N VAL A 81 3.364 2.378 -5.525 1.00 0.00 N ATOM 1249 CA VAL A 81 3.653 1.340 -6.560 1.00 0.00 C ATOM 1250 C VAL A 81 5.060 1.512 -7.145 1.00 0.00 C ATOM 1251 O VAL A 81 5.487 2.605 -7.456 1.00 0.00 O ATOM 1252 CB VAL A 81 2.583 1.563 -7.626 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.818 0.610 -8.796 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.204 1.288 -7.018 1.00 0.00 C ATOM 0 H VAL A 81 3.215 3.322 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 81 3.628 0.330 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 81 2.632 2.592 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.053 0.771 -9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.802 0.798 -9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.767 -0.420 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.435 1.445 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.161 0.257 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.034 1.965 -6.181 1.00 0.00 H new ATOM 1264 N VAL A 82 5.785 0.429 -7.289 1.00 0.00 N ATOM 1265 CA VAL A 82 7.171 0.514 -7.846 1.00 0.00 C ATOM 1266 C VAL A 82 7.239 -0.166 -9.222 1.00 0.00 C ATOM 1267 O VAL A 82 6.723 -1.248 -9.412 1.00 0.00 O ATOM 1268 CB VAL A 82 8.040 -0.244 -6.840 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.516 0.070 -7.091 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.667 0.178 -5.418 1.00 0.00 C ATOM 0 H VAL A 82 5.476 -0.512 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 82 7.497 1.545 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 82 7.872 -1.314 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.131 -0.472 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.786 -0.235 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.685 1.141 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.287 -0.363 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.830 1.249 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.617 -0.051 -5.234 1.00 0.00 H new ATOM 1280 N GLY A 83 7.880 0.455 -10.179 1.00 0.00 N ATOM 1281 CA GLY A 83 7.986 -0.166 -11.535 1.00 0.00 C ATOM 1282 C GLY A 83 7.131 0.614 -12.539 1.00 0.00 C ATOM 1283 O GLY A 83 5.962 0.854 -12.316 1.00 0.00 O ATOM 0 H GLY A 83 8.334 1.363 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.026 -0.173 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.657 -1.204 -11.495 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.217 -0.036 -11.159 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.793 -1.198 -10.333 1.00 0.00 C ATOM 1494 C LEU A 98 -3.563 -1.205 -9.018 1.00 0.00 C ATOM 1495 O LEU A 98 -4.015 -2.231 -8.551 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.299 -0.975 -10.099 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.595 -0.858 -11.453 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.851 -0.413 -11.244 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.607 -2.218 -12.150 1.00 0.00 C ATOM 0 HA LEU A 98 -2.988 -2.158 -10.812 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.141 -0.070 -9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.880 -1.803 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.116 -0.124 -12.068 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.350 -0.331 -12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.865 0.556 -10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.372 -1.146 -10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.106 -2.137 -13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.086 -2.949 -11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.637 -2.540 -12.302 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.727 -0.059 -8.427 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.482 0.015 -7.150 1.00 0.00 C ATOM 1513 C TYR A 99 -5.552 1.103 -7.276 1.00 0.00 C ATOM 1514 O TYR A 99 -6.085 1.331 -8.345 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.437 0.370 -6.086 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.817 -0.231 -4.746 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.139 -0.625 -4.497 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.842 -0.390 -3.750 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.483 -1.174 -3.254 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.189 -0.939 -2.508 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.509 -1.330 -2.260 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.852 -1.869 -1.036 1.00 0.00 O ATOM 0 H TYR A 99 -3.370 0.832 -8.773 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.993 -0.913 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.458 0.001 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.355 1.453 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.892 -0.506 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.822 -0.089 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.502 -1.477 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.437 -1.060 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.815 -1.759 -0.888 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.880 1.784 -6.214 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.921 2.849 -6.331 1.00 0.00 C ATOM 1534 C HIS A 100 -6.320 4.135 -6.911 1.00 0.00 C ATOM 1535 O HIS A 100 -5.150 4.197 -7.235 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.464 3.089 -4.918 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.342 3.141 -3.926 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.611 4.308 -3.686 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.814 2.185 -3.089 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.694 4.027 -2.741 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.794 2.762 -2.368 1.00 0.00 N ATOM 0 H HIS A 100 -5.482 1.655 -5.284 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.719 2.542 -7.007 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -8.024 4.024 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.158 2.293 -4.649 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.143 1.159 -3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.979 4.733 -2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -4.216 2.296 -1.668 1.00 0.00 H new ATOM 1549 N SER A 101 -7.126 5.154 -7.057 1.00 0.00 N ATOM 1550 CA SER A 101 -6.629 6.443 -7.635 1.00 0.00 C ATOM 1551 C SER A 101 -5.793 7.225 -6.614 1.00 0.00 C ATOM 1552 O SER A 101 -5.416 8.355 -6.853 1.00 0.00 O ATOM 1553 CB SER A 101 -7.897 7.223 -7.989 1.00 0.00 C ATOM 1554 OG SER A 101 -7.618 8.116 -9.058 1.00 0.00 O ATOM 0 H SER A 101 -8.113 5.151 -6.800 1.00 0.00 H new ATOM 0 HA SER A 101 -5.982 6.276 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.693 6.535 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.251 7.778 -7.120 1.00 0.00 H new ATOM 0 HG SER A 101 -8.429 8.615 -9.287 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.511 6.649 -5.480 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.712 7.388 -4.458 1.00 0.00 C ATOM 1562 C ALA A 102 -3.305 6.791 -4.303 1.00 0.00 C ATOM 1563 O ALA A 102 -2.379 7.477 -3.921 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.500 7.240 -3.160 1.00 0.00 C ATOM 0 H ALA A 102 -5.795 5.706 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.568 8.430 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.977 7.758 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.492 7.673 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.594 6.183 -2.910 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.134 5.526 -4.582 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.783 4.910 -4.434 1.00 0.00 C ATOM 1572 C GLU A 103 -0.702 5.856 -4.970 1.00 0.00 C ATOM 1573 O GLU A 103 -0.967 6.724 -5.776 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.840 3.630 -5.269 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.852 3.987 -6.756 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.328 2.780 -7.566 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -1.587 1.814 -7.643 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.426 2.842 -8.095 1.00 0.00 O ATOM 0 H GLU A 103 -3.868 4.895 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.534 4.708 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.981 2.998 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.732 3.058 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.510 4.838 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.854 4.284 -7.078 1.00 0.00 H new ATOM 1585 N LEU A 104 0.513 5.692 -4.524 1.00 0.00 N ATOM 1586 CA LEU A 104 1.610 6.581 -5.005 1.00 0.00 C ATOM 1587 C LEU A 104 2.506 5.816 -5.978 1.00 0.00 C ATOM 1588 O LEU A 104 2.465 4.604 -6.053 1.00 0.00 O ATOM 1589 CB LEU A 104 2.397 6.965 -3.753 1.00 0.00 C ATOM 1590 CG LEU A 104 2.584 8.483 -3.713 1.00 0.00 C ATOM 1591 CD1 LEU A 104 1.246 9.161 -3.414 1.00 0.00 C ATOM 1592 CD2 LEU A 104 3.588 8.841 -2.616 1.00 0.00 C ATOM 0 H LEU A 104 0.794 4.982 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 104 1.230 7.458 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.868 6.630 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.367 6.468 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 104 2.955 8.826 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.384 10.242 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.527 8.907 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.872 8.818 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.723 9.922 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.213 8.495 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.544 8.362 -2.827 1.00 0.00 H new ATOM 1604 N HIS A 105 3.318 6.511 -6.722 1.00 0.00 N ATOM 1605 CA HIS A 105 4.215 5.815 -7.684 1.00 0.00 C ATOM 1606 C HIS A 105 5.678 6.097 -7.340 1.00 0.00 C ATOM 1607 O HIS A 105 6.030 7.184 -6.930 1.00 0.00 O ATOM 1608 CB HIS A 105 3.882 6.410 -9.050 1.00 0.00 C ATOM 1609 CG HIS A 105 2.428 6.187 -9.368 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.762 6.929 -10.330 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.503 5.309 -8.862 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.491 6.489 -10.373 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.279 5.502 -9.498 1.00 0.00 N ATOM 0 H HIS A 105 3.400 7.528 -6.706 1.00 0.00 H new ATOM 0 HA HIS A 105 4.074 4.734 -7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.104 7.477 -9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.505 5.951 -9.817 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.695 4.580 -8.089 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.265 6.885 -11.034 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.592 4.998 -9.331 1.00 0.00 H new ATOM 1621 N LEU A 106 6.535 5.131 -7.514 1.00 0.00 N ATOM 1622 CA LEU A 106 7.974 5.355 -7.209 1.00 0.00 C ATOM 1623 C LEU A 106 8.847 4.639 -8.244 1.00 0.00 C ATOM 1624 O LEU A 106 8.680 3.465 -8.506 1.00 0.00 O ATOM 1625 CB LEU A 106 8.183 4.771 -5.812 1.00 0.00 C ATOM 1626 CG LEU A 106 9.624 5.028 -5.367 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.915 6.529 -5.428 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.812 4.533 -3.930 1.00 0.00 C ATOM 0 H LEU A 106 6.302 4.198 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 106 8.249 6.409 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.486 5.225 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.978 3.701 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 106 10.308 4.495 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.941 6.714 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.781 6.884 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.230 7.060 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.839 4.716 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.128 5.066 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.603 3.464 -3.883 1.00 0.00 H new ATOM 1640 N GLY A 107 9.772 5.342 -8.838 1.00 0.00 N ATOM 1641 CA GLY A 107 10.650 4.709 -9.864 1.00 0.00 C ATOM 1642 C GLY A 107 11.409 3.532 -9.250 1.00 0.00 C ATOM 1643 O GLY A 107 11.736 3.529 -8.078 1.00 0.00 O ATOM 0 H GLY A 107 9.958 6.328 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.049 4.365 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.355 5.443 -10.254 1.00 0.00 H new ATOM 1647 N ILE A 108 11.693 2.532 -10.036 1.00 0.00 N ATOM 1648 CA ILE A 108 12.423 1.350 -9.524 1.00 0.00 C ATOM 1649 C ILE A 108 13.791 1.748 -8.958 1.00 0.00 C ATOM 1650 O ILE A 108 14.222 1.237 -7.944 1.00 0.00 O ATOM 1651 CB ILE A 108 12.583 0.476 -10.760 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.220 -0.079 -11.167 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.524 -0.667 -10.449 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.345 -0.832 -12.494 1.00 0.00 C ATOM 0 H ILE A 108 11.445 2.487 -11.024 1.00 0.00 H new ATOM 0 HA ILE A 108 11.901 0.850 -8.708 1.00 0.00 H new ATOM 0 HB ILE A 108 12.992 1.069 -11.578 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.843 -0.747 -10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.500 0.734 -11.265 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.640 -1.294 -11.333 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.496 -0.269 -10.157 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.116 -1.263 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.371 -1.227 -12.782 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.703 -0.151 -13.266 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.051 -1.655 -12.380 1.00 0.00 H new ATOM 1666 N HIS A 109 14.477 2.652 -9.602 1.00 0.00 N ATOM 1667 CA HIS A 109 15.816 3.076 -9.096 1.00 0.00 C ATOM 1668 C HIS A 109 15.666 4.237 -8.112 1.00 0.00 C ATOM 1669 O HIS A 109 16.637 4.780 -7.624 1.00 0.00 O ATOM 1670 CB HIS A 109 16.578 3.533 -10.336 1.00 0.00 C ATOM 1671 CG HIS A 109 15.772 4.581 -11.050 1.00 0.00 C ATOM 1672 ND1 HIS A 109 15.609 5.862 -10.542 1.00 0.00 N ATOM 1673 CD2 HIS A 109 15.067 4.552 -12.227 1.00 0.00 C ATOM 1674 CE1 HIS A 109 14.831 6.543 -11.405 1.00 0.00 C ATOM 1675 NE2 HIS A 109 14.473 5.791 -12.449 1.00 0.00 N ATOM 0 H HIS A 109 14.169 3.116 -10.457 1.00 0.00 H new ATOM 0 HA HIS A 109 16.330 2.272 -8.569 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.551 3.935 -10.053 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.763 2.686 -10.997 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.985 3.697 -12.882 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.533 7.572 -11.269 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.890 6.066 -13.239 1.00 0.00 H new ATOM 1683 N GLN A 110 14.457 4.623 -7.815 1.00 0.00 N ATOM 1684 CA GLN A 110 14.250 5.748 -6.860 1.00 0.00 C ATOM 1685 C GLN A 110 13.856 5.208 -5.488 1.00 0.00 C ATOM 1686 O GLN A 110 13.169 5.859 -4.726 1.00 0.00 O ATOM 1687 CB GLN A 110 13.115 6.582 -7.458 1.00 0.00 C ATOM 1688 CG GLN A 110 13.553 7.139 -8.812 1.00 0.00 C ATOM 1689 CD GLN A 110 12.842 8.469 -9.071 1.00 0.00 C ATOM 1690 OE1 GLN A 110 13.170 9.472 -8.472 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.872 8.513 -9.940 1.00 0.00 N ATOM 0 H GLN A 110 13.604 4.209 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 110 15.154 6.340 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.222 5.969 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.854 7.398 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.633 7.283 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.316 6.428 -9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.598 7.668 -10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.386 9.392 -10.118 1.00 0.00 H new ATOM 1700 N LEU A 111 14.286 4.021 -5.165 1.00 0.00 N ATOM 1701 CA LEU A 111 13.934 3.442 -3.839 1.00 0.00 C ATOM 1702 C LEU A 111 14.661 4.198 -2.730 1.00 0.00 C ATOM 1703 O LEU A 111 15.830 3.996 -2.467 1.00 0.00 O ATOM 1704 CB LEU A 111 14.377 1.975 -3.909 1.00 0.00 C ATOM 1705 CG LEU A 111 13.321 1.092 -4.621 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.791 0.055 -3.634 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.140 1.924 -5.141 1.00 0.00 C ATOM 0 H LEU A 111 14.864 3.428 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 111 12.870 3.519 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.327 1.906 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.547 1.598 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 111 13.804 0.612 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.047 -0.570 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.614 -0.568 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.333 0.562 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.422 1.268 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.656 2.430 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.503 2.665 -5.853 1.00 0.00 H new ATOM 1719 N GLU A 112 13.943 5.074 -2.092 1.00 0.00 N ATOM 1720 CA GLU A 112 14.499 5.907 -0.984 1.00 0.00 C ATOM 1721 C GLU A 112 13.466 6.982 -0.638 1.00 0.00 C ATOM 1722 O GLU A 112 13.419 7.488 0.465 1.00 0.00 O ATOM 1723 CB GLU A 112 15.757 6.557 -1.549 1.00 0.00 C ATOM 1724 CG GLU A 112 15.396 7.262 -2.850 1.00 0.00 C ATOM 1725 CD GLU A 112 16.539 8.188 -3.267 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.323 8.556 -2.407 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.610 8.518 -4.439 1.00 0.00 O ATOM 0 H GLU A 112 12.960 5.256 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 112 14.724 5.329 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.169 7.269 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.525 5.804 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.206 6.527 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.478 7.836 -2.722 1.00 0.00 H new ATOM 1734 N GLN A 113 12.636 7.323 -1.593 1.00 0.00 N ATOM 1735 CA GLN A 113 11.576 8.350 -1.367 1.00 0.00 C ATOM 1736 C GLN A 113 10.385 7.717 -0.647 1.00 0.00 C ATOM 1737 O GLN A 113 9.435 8.382 -0.297 1.00 0.00 O ATOM 1738 CB GLN A 113 11.171 8.794 -2.769 1.00 0.00 C ATOM 1739 CG GLN A 113 12.199 9.797 -3.297 1.00 0.00 C ATOM 1740 CD GLN A 113 11.926 10.089 -4.774 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.182 10.992 -5.101 1.00 0.00 O ATOM 1742 NE2 GLN A 113 12.506 9.363 -5.689 1.00 0.00 N ATOM 0 H GLN A 113 12.650 6.926 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 113 11.919 9.182 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 113 11.112 7.932 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.180 9.248 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.150 10.720 -2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.206 9.398 -3.176 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.131 8.604 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.334 9.554 -6.676 1.00 0.00 H new ATOM 1751 N LEU A 114 10.434 6.430 -0.429 1.00 0.00 N ATOM 1752 CA LEU A 114 9.309 5.739 0.265 1.00 0.00 C ATOM 1753 C LEU A 114 8.862 6.494 1.520 1.00 0.00 C ATOM 1754 O LEU A 114 7.683 6.667 1.725 1.00 0.00 O ATOM 1755 CB LEU A 114 9.860 4.373 0.646 1.00 0.00 C ATOM 1756 CG LEU A 114 9.886 3.472 -0.584 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.335 3.239 -1.002 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.232 2.132 -0.245 1.00 0.00 C ATOM 0 H LEU A 114 11.208 5.825 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 114 8.431 5.677 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.865 4.476 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.243 3.925 1.425 1.00 0.00 H new ATOM 0 HG LEU A 114 9.340 3.946 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.361 2.595 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.804 4.194 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.877 2.761 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.249 1.486 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.780 1.655 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.200 2.298 0.062 1.00 0.00 H new ATOM 1770 N PRO A 115 9.798 6.917 2.334 1.00 0.00 N ATOM 1771 CA PRO A 115 9.420 7.645 3.567 1.00 0.00 C ATOM 1772 C PRO A 115 8.688 8.931 3.193 1.00 0.00 C ATOM 1773 O PRO A 115 7.607 9.198 3.681 1.00 0.00 O ATOM 1774 CB PRO A 115 10.757 7.896 4.265 1.00 0.00 C ATOM 1775 CG PRO A 115 11.768 7.827 3.169 1.00 0.00 C ATOM 1776 CD PRO A 115 11.255 6.786 2.208 1.00 0.00 C ATOM 0 HA PRO A 115 8.736 7.103 4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.771 8.868 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.951 7.147 5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.879 8.793 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.749 7.552 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.592 6.976 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.596 5.786 2.475 1.00 0.00 H new ATOM 1784 N TYR A 116 9.232 9.709 2.302 1.00 0.00 N ATOM 1785 CA TYR A 116 8.512 10.939 1.884 1.00 0.00 C ATOM 1786 C TYR A 116 7.270 10.512 1.082 1.00 0.00 C ATOM 1787 O TYR A 116 6.224 11.123 1.158 1.00 0.00 O ATOM 1788 CB TYR A 116 9.530 11.738 1.046 1.00 0.00 C ATOM 1789 CG TYR A 116 9.056 11.890 -0.376 1.00 0.00 C ATOM 1790 CD1 TYR A 116 7.931 12.668 -0.656 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.740 11.246 -1.407 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.488 12.804 -1.974 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.299 11.378 -2.725 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.172 12.158 -3.011 1.00 0.00 C ATOM 1795 OH TYR A 116 7.732 12.291 -4.312 1.00 0.00 O ATOM 0 H TYR A 116 10.133 9.549 1.850 1.00 0.00 H new ATOM 0 HA TYR A 116 8.156 11.557 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.680 12.722 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.495 11.232 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.404 13.164 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.610 10.646 -1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.619 13.407 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 116 9.827 10.879 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 116 8.318 11.781 -4.909 1.00 0.00 H new ATOM 1805 N GLN A 117 7.386 9.443 0.335 1.00 0.00 N ATOM 1806 CA GLN A 117 6.222 8.936 -0.453 1.00 0.00 C ATOM 1807 C GLN A 117 5.166 8.390 0.503 1.00 0.00 C ATOM 1808 O GLN A 117 3.982 8.512 0.276 1.00 0.00 O ATOM 1809 CB GLN A 117 6.783 7.812 -1.329 1.00 0.00 C ATOM 1810 CG GLN A 117 7.468 8.412 -2.558 1.00 0.00 C ATOM 1811 CD GLN A 117 6.446 8.561 -3.689 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.796 7.606 -4.063 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.272 9.726 -4.252 1.00 0.00 N ATOM 0 H GLN A 117 8.242 8.897 0.237 1.00 0.00 H new ATOM 0 HA GLN A 117 5.753 9.714 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.494 7.214 -0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.980 7.143 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.897 9.383 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.290 7.772 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.817 10.530 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.591 9.832 -5.004 1.00 0.00 H new ATOM 1822 N VAL A 118 5.592 7.791 1.579 1.00 0.00 N ATOM 1823 CA VAL A 118 4.621 7.247 2.564 1.00 0.00 C ATOM 1824 C VAL A 118 3.795 8.400 3.137 1.00 0.00 C ATOM 1825 O VAL A 118 2.584 8.339 3.183 1.00 0.00 O ATOM 1826 CB VAL A 118 5.481 6.564 3.639 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.765 6.588 4.992 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.725 5.108 3.231 1.00 0.00 C ATOM 0 H VAL A 118 6.574 7.655 1.818 1.00 0.00 H new ATOM 0 HA VAL A 118 3.915 6.538 2.132 1.00 0.00 H new ATOM 0 HB VAL A 118 6.427 7.098 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.388 6.100 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.582 7.621 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.815 6.060 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.335 4.615 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.770 4.590 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.244 5.081 2.273 1.00 0.00 H new ATOM 1838 N ASP A 119 4.434 9.463 3.550 1.00 0.00 N ATOM 1839 CA ASP A 119 3.663 10.616 4.090 1.00 0.00 C ATOM 1840 C ASP A 119 2.841 11.239 2.963 1.00 0.00 C ATOM 1841 O ASP A 119 1.691 11.585 3.137 1.00 0.00 O ATOM 1842 CB ASP A 119 4.710 11.610 4.597 1.00 0.00 C ATOM 1843 CG ASP A 119 5.570 10.947 5.673 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.635 9.729 5.687 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.154 11.671 6.464 1.00 0.00 O ATOM 0 H ASP A 119 5.447 9.581 3.536 1.00 0.00 H new ATOM 0 HA ASP A 119 2.977 10.324 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.338 11.945 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.219 12.494 5.004 1.00 0.00 H new ATOM 1850 N ALA A 120 3.417 11.364 1.798 1.00 0.00 N ATOM 1851 CA ALA A 120 2.651 11.939 0.660 1.00 0.00 C ATOM 1852 C ALA A 120 1.564 10.947 0.254 1.00 0.00 C ATOM 1853 O ALA A 120 0.448 11.320 -0.050 1.00 0.00 O ATOM 1854 CB ALA A 120 3.670 12.130 -0.463 1.00 0.00 C ATOM 0 H ALA A 120 4.378 11.094 1.588 1.00 0.00 H new ATOM 0 HA ALA A 120 2.164 12.883 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.174 12.552 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.456 12.808 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.108 11.167 -0.725 1.00 0.00 H new ATOM 1860 N ALA A 121 1.877 9.675 0.267 1.00 0.00 N ATOM 1861 CA ALA A 121 0.855 8.655 -0.093 1.00 0.00 C ATOM 1862 C ALA A 121 -0.283 8.723 0.922 1.00 0.00 C ATOM 1863 O ALA A 121 -1.447 8.670 0.576 1.00 0.00 O ATOM 1864 CB ALA A 121 1.578 7.307 -0.002 1.00 0.00 C ATOM 0 H ALA A 121 2.795 9.303 0.511 1.00 0.00 H new ATOM 0 HA ALA A 121 0.431 8.809 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.885 6.505 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.416 7.296 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.948 7.160 1.013 1.00 0.00 H new ATOM 1870 N LEU A 122 0.051 8.858 2.179 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.005 8.951 3.223 1.00 0.00 C ATOM 1872 C LEU A 122 -1.899 10.151 2.932 1.00 0.00 C ATOM 1873 O LEU A 122 -3.104 10.042 2.872 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.250 9.171 4.538 1.00 0.00 C ATOM 1875 CG LEU A 122 0.228 7.832 5.097 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.588 8.013 5.779 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.787 7.330 6.124 1.00 0.00 C ATOM 0 H LEU A 122 1.009 8.908 2.525 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.635 8.062 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.602 9.830 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.899 9.665 5.261 1.00 0.00 H new ATOM 0 HG LEU A 122 0.324 7.111 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.926 7.056 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.313 8.381 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.494 8.731 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.453 6.374 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.875 8.055 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.757 7.202 5.644 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.307 11.297 2.742 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.115 12.509 2.446 1.00 0.00 C ATOM 1891 C ALA A 123 -2.865 12.327 1.128 1.00 0.00 C ATOM 1892 O ALA A 123 -4.041 12.623 1.027 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.097 13.643 2.340 1.00 0.00 C ATOM 0 H ALA A 123 -0.299 11.445 2.779 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.865 12.710 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.614 14.577 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.559 13.738 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.391 13.424 1.539 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.204 11.837 0.115 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.898 11.636 -1.187 1.00 0.00 C ATOM 1901 C GLU A 124 -4.021 10.605 -1.021 1.00 0.00 C ATOM 1902 O GLU A 124 -5.040 10.673 -1.677 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.822 11.128 -2.151 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.342 11.228 -3.588 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.347 12.694 -4.031 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -1.794 13.513 -3.315 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -2.907 12.973 -5.078 1.00 0.00 O ATOM 0 H GLU A 124 -1.220 11.569 0.132 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.358 12.552 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.911 11.716 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.565 10.095 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.713 10.638 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.349 10.815 -3.651 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.843 9.651 -0.141 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.905 8.624 0.072 1.00 0.00 C ATOM 1916 C PHE A 125 -6.141 9.261 0.719 1.00 0.00 C ATOM 1917 O PHE A 125 -7.265 8.992 0.343 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.271 7.601 1.019 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.204 6.426 1.211 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.654 5.691 0.105 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.616 6.069 2.501 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.515 4.603 0.291 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.478 4.981 2.686 1.00 0.00 C ATOM 1924 CZ PHE A 125 -6.927 4.248 1.581 1.00 0.00 C ATOM 0 H PHE A 125 -3.010 9.540 0.437 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.238 8.171 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.320 7.258 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.057 8.067 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.336 5.964 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.269 6.633 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.862 4.037 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.796 4.707 3.681 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.591 3.409 1.724 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.936 10.099 1.700 1.00 0.00 N ATOM 1935 CA LEU A 126 -7.087 10.751 2.391 1.00 0.00 C ATOM 1936 C LEU A 126 -7.857 11.669 1.434 1.00 0.00 C ATOM 1937 O LEU A 126 -9.067 11.770 1.495 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.442 11.563 3.514 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.673 10.618 4.440 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -5.012 11.417 5.562 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.640 9.600 5.042 1.00 0.00 C ATOM 0 H LEU A 126 -5.016 10.361 2.054 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.811 10.025 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.768 12.311 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.206 12.100 4.076 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.904 10.099 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.466 10.739 6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.321 12.143 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.777 11.940 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.094 8.926 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.409 10.122 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.108 9.025 4.242 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.169 12.341 0.557 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.858 13.254 -0.400 1.00 0.00 C ATOM 1955 C ARG A 127 -8.851 12.475 -1.264 1.00 0.00 C ATOM 1956 O ARG A 127 -9.977 12.890 -1.467 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.735 13.823 -1.261 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.309 14.822 -2.264 1.00 0.00 C ATOM 1959 CD ARG A 127 -6.179 15.342 -3.151 1.00 0.00 C ATOM 1960 NE ARG A 127 -5.427 16.292 -2.287 1.00 0.00 N ATOM 1961 CZ ARG A 127 -4.387 16.925 -2.758 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -3.958 16.674 -3.963 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -3.768 17.800 -2.016 1.00 0.00 N ATOM 0 H ARG A 127 -6.155 12.299 0.460 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.429 14.032 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.993 14.312 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.224 13.017 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.077 14.345 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.787 15.649 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.540 14.529 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.569 15.839 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.725 16.449 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.435 15.982 -4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.145 17.170 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.096 17.989 -1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.955 18.296 -2.382 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.439 11.352 -1.778 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.348 10.542 -2.632 1.00 0.00 C ATOM 1979 C LEU A 128 -10.175 9.593 -1.769 1.00 0.00 C ATOM 1980 O LEU A 128 -11.048 8.904 -2.254 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.417 9.774 -3.567 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.018 10.680 -4.734 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -7.554 12.036 -4.194 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -6.878 10.031 -5.524 1.00 0.00 C ATOM 0 H LEU A 128 -7.508 10.959 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.062 11.152 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.530 9.445 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.914 8.878 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.878 10.823 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.270 12.681 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -8.365 12.502 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.696 11.892 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -6.596 10.678 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.019 9.885 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.207 9.067 -5.911 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.905 9.554 -0.493 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.675 8.646 0.401 1.00 0.00 C ATOM 1998 C ALA A 129 -12.098 9.173 0.601 1.00 0.00 C ATOM 1999 O ALA A 129 -12.282 10.323 0.940 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.927 8.661 1.728 1.00 0.00 C ATOM 0 H ALA A 129 -9.185 10.111 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.757 7.643 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.437 8.012 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.909 8.303 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.900 9.678 2.119 1.00 0.00 H new ATOM 2006 N PRO A 130 -13.066 8.316 0.402 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.804 6.909 -0.014 1.00 0.00 C ATOM 2008 C PRO A 130 -12.373 6.856 -1.487 1.00 0.00 C ATOM 2009 O PRO A 130 -13.138 7.177 -2.374 1.00 0.00 O ATOM 2010 CB PRO A 130 -14.152 6.224 0.181 1.00 0.00 C ATOM 2011 CG PRO A 130 -15.160 7.322 0.082 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.496 8.585 0.554 1.00 0.00 C ATOM 0 HA PRO A 130 -12.003 6.436 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.322 5.462 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -14.205 5.725 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.508 7.432 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -16.034 7.097 0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.805 9.444 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.752 8.806 1.590 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.159 6.448 -1.759 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.706 6.378 -3.178 1.00 0.00 C ATOM 2022 C VAL A 131 -11.551 5.347 -3.922 1.00 0.00 C ATOM 2023 O VAL A 131 -12.194 4.512 -3.319 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.242 5.930 -3.127 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.395 6.980 -2.409 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -9.148 4.607 -2.374 1.00 0.00 C ATOM 0 H VAL A 131 -10.468 6.163 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.808 7.333 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.870 5.807 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.356 6.651 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.460 7.928 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.764 7.111 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.108 4.284 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.526 4.738 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.743 3.853 -2.888 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.563 5.390 -5.222 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.375 4.399 -5.975 1.00 0.00 C ATOM 2038 C GLU A 132 -11.486 3.267 -6.490 1.00 0.00 C ATOM 2039 O GLU A 132 -10.773 3.414 -7.461 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.991 5.182 -7.134 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.815 4.235 -8.009 1.00 0.00 C ATOM 2042 CD GLU A 132 -15.147 3.936 -7.319 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -15.510 4.682 -6.425 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -15.783 2.966 -7.698 1.00 0.00 O ATOM 0 H GLU A 132 -11.050 6.063 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.141 3.935 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.623 5.983 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.206 5.652 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.992 4.686 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.265 3.309 -8.180 1.00 0.00 H new ATOM 2051 N THR A 133 -11.534 2.133 -5.847 1.00 0.00 N ATOM 2052 CA THR A 133 -10.703 0.982 -6.297 1.00 0.00 C ATOM 2053 C THR A 133 -11.392 0.300 -7.480 1.00 0.00 C ATOM 2054 O THR A 133 -12.568 0.001 -7.433 1.00 0.00 O ATOM 2055 CB THR A 133 -10.638 0.046 -5.090 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.884 0.069 -4.411 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.529 0.502 -4.140 1.00 0.00 C ATOM 0 H THR A 133 -12.114 1.954 -5.028 1.00 0.00 H new ATOM 0 HA THR A 133 -9.706 1.276 -6.625 1.00 0.00 H new ATOM 0 HB THR A 133 -10.424 -0.968 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.846 -0.532 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.487 -0.168 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.572 0.484 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.737 1.516 -3.799 1.00 0.00 H new ATOM 2065 N MET A 134 -10.683 0.073 -8.549 1.00 0.00 N ATOM 2066 CA MET A 134 -11.319 -0.564 -9.738 1.00 0.00 C ATOM 2067 C MET A 134 -11.186 -2.088 -9.686 1.00 0.00 C ATOM 2068 O MET A 134 -11.526 -2.777 -10.624 1.00 0.00 O ATOM 2069 CB MET A 134 -10.563 0.007 -10.935 1.00 0.00 C ATOM 2070 CG MET A 134 -10.649 1.535 -10.902 1.00 0.00 C ATOM 2071 SD MET A 134 -12.375 2.047 -10.703 1.00 0.00 S ATOM 2072 CE MET A 134 -13.028 1.256 -12.194 1.00 0.00 C ATOM 0 H MET A 134 -9.694 0.299 -8.653 1.00 0.00 H new ATOM 0 HA MET A 134 -12.388 -0.358 -9.788 1.00 0.00 H new ATOM 0 HB2 MET A 134 -9.521 -0.311 -10.908 1.00 0.00 H new ATOM 0 HB3 MET A 134 -10.988 -0.373 -11.864 1.00 0.00 H new ATOM 0 HG2 MET A 134 -10.047 1.925 -10.081 1.00 0.00 H new ATOM 0 HG3 MET A 134 -10.240 1.952 -11.823 1.00 0.00 H new ATOM 0 HE1 MET A 134 -13.985 1.708 -12.456 1.00 0.00 H new ATOM 0 HE2 MET A 134 -12.325 1.392 -13.016 1.00 0.00 H new ATOM 0 HE3 MET A 134 -13.168 0.191 -12.009 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.700 -2.619 -8.600 1.00 0.00 N ATOM 2083 CA ALA A 135 -10.556 -4.103 -8.497 1.00 0.00 C ATOM 2084 C ALA A 135 -11.795 -4.794 -9.075 1.00 0.00 C ATOM 2085 O ALA A 135 -12.750 -4.968 -8.336 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.441 -4.386 -7.001 1.00 0.00 C ATOM 2087 OXT ALA A 135 -11.766 -5.136 -10.246 1.00 0.00 O ATOM 0 H ALA A 135 -10.396 -2.094 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.694 -4.473 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.332 -5.459 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.570 -3.869 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.339 -4.033 -6.494 1.00 0.00 H new