USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 43 ASN : amide:sc= -0.0871 K(o=0.92,f=-4.3) USER MOD Set 1.2: A 77 ASN : amide:sc= 1 K(o=0.92,f=-3.8!) USER MOD Set 2.1: A 50 MET CE :methyl 167:sc= -0.0658 (180deg=-0.504) USER MOD Set 2.2: A 55 CYS SG : rot 150:sc= 0 USER MOD Set 3.1: A 52 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 54 MET CE :methyl 180:sc= -0.144 (180deg=-0.144) USER MOD Set 4.1: A 13 ASN : amide:sc= 0.00504 K(o=0.0053,f=-1.7) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 160:sc=0.000272 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 29 SER OG : rot 95:sc= 1.25 USER MOD Single : A 34 TYR OH : rot 31:sc= -0.0104 USER MOD Single : A 37 GLN : amide:sc= 1.14 K(o=1.1,f=-0.027) USER MOD Single : A 41 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.12) USER MOD Single : A 42 ASN : amide:sc= 0.32 K(o=0.32,f=-7.3!) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.02) USER MOD Single : A 48 MET CE :methyl -123:sc= 0 (180deg=-0.648) USER MOD Single : A 49 THR OG1 : rot 127:sc= 1.24 USER MOD Single : A 51 THR OG1 : rot 88:sc= 0.865 USER MOD Single : A 60 MET CE :methyl 155:sc= 0 (180deg=-0.117) USER MOD Single : A 63 SER OG : rot 77:sc= 0.348 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.15) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0837) USER MOD Single : A 76 ASN : amide:sc= 0.0893 X(o=0.089,f=0) USER MOD Single : A 83 THR OG1 : rot -150:sc= -0.106 USER MOD Single : A 89 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 93 MET CE :methyl -171:sc= -0.125 (180deg=-0.272) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 17.753 1.541 -9.227 1.00 0.00 N ATOM 52 CA LYS A 5 17.414 2.511 -8.192 1.00 0.00 C ATOM 53 C LYS A 5 15.895 2.702 -8.188 1.00 0.00 C ATOM 54 O LYS A 5 15.379 3.574 -8.891 1.00 0.00 O ATOM 55 CB LYS A 5 18.170 3.829 -8.447 1.00 0.00 C ATOM 56 CG LYS A 5 18.199 4.669 -7.169 1.00 0.00 C ATOM 57 CD LYS A 5 18.480 6.155 -7.403 1.00 0.00 C ATOM 58 CE LYS A 5 17.172 6.944 -7.544 1.00 0.00 C ATOM 59 NZ LYS A 5 17.426 8.397 -7.623 1.00 0.00 N ATOM 0 HA LYS A 5 17.718 2.155 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.187 3.617 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.686 4.387 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.241 4.568 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.960 4.267 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 5 19.062 6.554 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.082 6.278 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.642 6.616 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.524 6.732 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.522 8.903 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.910 8.712 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.025 8.600 -8.449 1.00 0.00 H new ATOM 73 N VAL A 6 15.181 1.859 -7.453 1.00 0.00 N ATOM 74 CA VAL A 6 13.729 1.896 -7.343 1.00 0.00 C ATOM 75 C VAL A 6 13.293 3.189 -6.635 1.00 0.00 C ATOM 76 O VAL A 6 14.040 3.750 -5.837 1.00 0.00 O ATOM 77 CB VAL A 6 13.276 0.590 -6.657 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.802 0.583 -6.228 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.500 -0.582 -7.611 1.00 0.00 C ATOM 0 H VAL A 6 15.606 1.112 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 6 13.237 1.932 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 6 13.874 0.504 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.565 -0.370 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.625 1.393 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.168 0.721 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.182 -1.508 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.920 -0.427 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.558 -0.649 -7.863 1.00 0.00 H new ATOM 89 N THR A 7 12.074 3.662 -6.912 1.00 0.00 N ATOM 90 CA THR A 7 11.560 4.942 -6.425 1.00 0.00 C ATOM 91 C THR A 7 10.148 4.762 -5.877 1.00 0.00 C ATOM 92 O THR A 7 9.457 3.797 -6.218 1.00 0.00 O ATOM 93 CB THR A 7 11.551 5.954 -7.583 1.00 0.00 C ATOM 94 OG1 THR A 7 10.761 5.497 -8.665 1.00 0.00 O ATOM 95 CG2 THR A 7 12.954 6.173 -8.123 1.00 0.00 C ATOM 0 H THR A 7 11.406 3.155 -7.492 1.00 0.00 H new ATOM 0 HA THR A 7 12.200 5.311 -5.624 1.00 0.00 H new ATOM 0 HB THR A 7 11.141 6.879 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.774 6.163 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.921 6.893 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.594 6.556 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.355 5.227 -8.488 1.00 0.00 H new ATOM 103 N LYS A 8 9.666 5.712 -5.068 1.00 0.00 N ATOM 104 CA LYS A 8 8.327 5.636 -4.520 1.00 0.00 C ATOM 105 C LYS A 8 7.273 5.689 -5.617 1.00 0.00 C ATOM 106 O LYS A 8 6.203 5.110 -5.464 1.00 0.00 O ATOM 107 CB LYS A 8 8.128 6.723 -3.463 1.00 0.00 C ATOM 108 CG LYS A 8 8.559 8.153 -3.804 1.00 0.00 C ATOM 109 CD LYS A 8 7.729 9.212 -3.050 1.00 0.00 C ATOM 110 CE LYS A 8 7.881 9.138 -1.523 1.00 0.00 C ATOM 111 NZ LYS A 8 6.966 10.048 -0.801 1.00 0.00 N ATOM 0 H LYS A 8 10.191 6.539 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 8 8.204 4.671 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.069 6.747 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.667 6.418 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.614 8.280 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.459 8.314 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.027 10.204 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.677 9.089 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.698 8.115 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.909 9.380 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.117 9.951 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.155 11.030 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.981 9.804 -1.030 1.00 0.00 H new ATOM 125 N GLU A 9 7.597 6.347 -6.723 1.00 0.00 N ATOM 126 CA GLU A 9 6.737 6.479 -7.885 1.00 0.00 C ATOM 127 C GLU A 9 6.389 5.095 -8.444 1.00 0.00 C ATOM 128 O GLU A 9 5.218 4.816 -8.704 1.00 0.00 O ATOM 129 CB GLU A 9 7.474 7.351 -8.919 1.00 0.00 C ATOM 130 CG GLU A 9 6.624 8.516 -9.442 1.00 0.00 C ATOM 131 CD GLU A 9 7.461 9.792 -9.533 1.00 0.00 C ATOM 132 OE1 GLU A 9 7.159 10.735 -8.760 1.00 0.00 O ATOM 133 OE2 GLU A 9 8.526 9.805 -10.190 1.00 0.00 O ATOM 0 H GLU A 9 8.495 6.817 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 9 5.794 6.957 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.384 7.747 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.780 6.727 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.221 8.268 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.773 8.679 -8.780 1.00 0.00 H new ATOM 141 N ASP A 10 7.395 4.227 -8.570 1.00 0.00 N ATOM 142 CA ASP A 10 7.295 2.862 -9.078 1.00 0.00 C ATOM 143 C ASP A 10 6.573 2.025 -8.041 1.00 0.00 C ATOM 144 O ASP A 10 5.666 1.273 -8.373 1.00 0.00 O ATOM 145 CB ASP A 10 8.699 2.263 -9.290 1.00 0.00 C ATOM 146 CG ASP A 10 9.153 2.292 -10.743 1.00 0.00 C ATOM 147 OD1 ASP A 10 9.635 3.360 -11.168 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.141 1.218 -11.394 1.00 0.00 O ATOM 0 H ASP A 10 8.349 4.472 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 10 6.761 2.868 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.417 2.813 -8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.704 1.232 -8.936 1.00 0.00 H new ATOM 154 N VAL A 11 6.953 2.156 -6.770 1.00 0.00 N ATOM 155 CA VAL A 11 6.329 1.405 -5.674 1.00 0.00 C ATOM 156 C VAL A 11 4.821 1.657 -5.593 1.00 0.00 C ATOM 157 O VAL A 11 4.059 0.728 -5.325 1.00 0.00 O ATOM 158 CB VAL A 11 7.070 1.714 -4.362 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.422 1.084 -3.117 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.525 1.216 -4.431 1.00 0.00 C ATOM 0 H VAL A 11 7.699 2.783 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 11 6.424 0.337 -5.868 1.00 0.00 H new ATOM 0 HB VAL A 11 7.021 2.798 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.002 1.347 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.404 1.458 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.400 -0.000 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.032 1.444 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.533 0.139 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.041 1.713 -5.253 1.00 0.00 H new ATOM 170 N LEU A 12 4.356 2.869 -5.895 1.00 0.00 N ATOM 171 CA LEU A 12 2.938 3.189 -5.886 1.00 0.00 C ATOM 172 C LEU A 12 2.287 2.491 -7.057 1.00 0.00 C ATOM 173 O LEU A 12 1.274 1.814 -6.905 1.00 0.00 O ATOM 174 CB LEU A 12 2.750 4.705 -6.018 1.00 0.00 C ATOM 175 CG LEU A 12 2.937 5.405 -4.670 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.283 6.875 -4.887 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.678 5.294 -3.799 1.00 0.00 C ATOM 0 H LEU A 12 4.956 3.653 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 12 2.484 2.859 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.465 5.101 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.754 4.918 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 12 3.756 4.909 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.414 7.364 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.207 6.951 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.476 7.362 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.847 5.802 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.837 5.758 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.455 4.243 -3.614 1.00 0.00 H new ATOM 189 N ASN A 13 2.885 2.647 -8.231 1.00 0.00 N ATOM 190 CA ASN A 13 2.351 2.138 -9.468 1.00 0.00 C ATOM 191 C ASN A 13 2.356 0.610 -9.508 1.00 0.00 C ATOM 192 O ASN A 13 1.478 0.004 -10.122 1.00 0.00 O ATOM 193 CB ASN A 13 3.188 2.781 -10.566 1.00 0.00 C ATOM 194 CG ASN A 13 2.612 4.143 -10.953 1.00 0.00 C ATOM 195 OD1 ASN A 13 1.407 4.323 -11.129 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.462 5.148 -11.001 1.00 0.00 N ATOM 0 H ASN A 13 3.770 3.141 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 13 1.299 2.393 -9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.217 2.899 -10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.214 2.130 -11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.125 6.093 -11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.457 4.982 -10.853 1.00 0.00 H new ATOM 203 N ALA A 14 3.275 -0.026 -8.782 1.00 0.00 N ATOM 204 CA ALA A 14 3.290 -1.457 -8.572 1.00 0.00 C ATOM 205 C ALA A 14 2.129 -1.823 -7.657 1.00 0.00 C ATOM 206 O ALA A 14 1.363 -2.736 -7.964 1.00 0.00 O ATOM 207 CB ALA A 14 4.622 -1.853 -7.945 1.00 0.00 C ATOM 0 H ALA A 14 4.043 0.458 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 14 3.180 -1.990 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.642 -2.931 -7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.436 -1.571 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.741 -1.341 -6.990 1.00 0.00 H new ATOM 213 N LEU A 15 1.970 -1.098 -6.547 1.00 0.00 N ATOM 214 CA LEU A 15 0.920 -1.361 -5.576 1.00 0.00 C ATOM 215 C LEU A 15 -0.486 -1.155 -6.144 1.00 0.00 C ATOM 216 O LEU A 15 -1.397 -1.854 -5.719 1.00 0.00 O ATOM 217 CB LEU A 15 1.118 -0.509 -4.319 1.00 0.00 C ATOM 218 CG LEU A 15 2.136 -1.086 -3.319 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.452 -0.024 -2.257 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.587 -2.344 -2.627 1.00 0.00 C ATOM 0 H LEU A 15 2.571 -0.311 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 15 1.002 -2.415 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.443 0.488 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.157 -0.394 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 15 3.038 -1.362 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.173 -0.425 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.871 0.859 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.537 0.249 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.329 -2.728 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.674 -2.093 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.368 -3.105 -3.376 1.00 0.00 H new ATOM 232 N LYS A 16 -0.674 -0.298 -7.155 1.00 0.00 N ATOM 233 CA LYS A 16 -1.956 -0.104 -7.852 1.00 0.00 C ATOM 234 C LYS A 16 -2.549 -1.391 -8.451 1.00 0.00 C ATOM 235 O LYS A 16 -3.670 -1.357 -8.959 1.00 0.00 O ATOM 236 CB LYS A 16 -1.774 0.905 -8.995 1.00 0.00 C ATOM 237 CG LYS A 16 -1.716 2.369 -8.560 1.00 0.00 C ATOM 238 CD LYS A 16 -1.538 3.225 -9.817 1.00 0.00 C ATOM 239 CE LYS A 16 -1.288 4.692 -9.466 1.00 0.00 C ATOM 240 NZ LYS A 16 -1.499 5.558 -10.643 1.00 0.00 N ATOM 0 H LYS A 16 0.073 0.292 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.651 0.254 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.855 0.664 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.595 0.784 -9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.629 2.648 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.889 2.529 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.702 2.843 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.428 3.146 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.957 4.997 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.269 4.814 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.660 6.537 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.658 5.524 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.328 5.224 -11.175 1.00 0.00 H new ATOM 254 N ASN A 17 -1.789 -2.482 -8.486 1.00 0.00 N ATOM 255 CA ASN A 17 -2.171 -3.754 -9.101 1.00 0.00 C ATOM 256 C ASN A 17 -2.988 -4.557 -8.102 1.00 0.00 C ATOM 257 O ASN A 17 -3.999 -5.135 -8.490 1.00 0.00 O ATOM 258 CB ASN A 17 -0.950 -4.610 -9.497 1.00 0.00 C ATOM 259 CG ASN A 17 -0.210 -4.107 -10.728 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.224 -4.735 -11.782 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.468 -2.981 -10.630 1.00 0.00 N ATOM 0 H ASN A 17 -0.857 -2.508 -8.073 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.737 -3.519 -10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.256 -4.643 -8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.280 -5.633 -9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.986 -2.626 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.475 -2.465 -9.750 1.00 0.00 H new ATOM 268 N VAL A 18 -2.508 -4.601 -6.857 1.00 0.00 N ATOM 269 CA VAL A 18 -3.061 -5.321 -5.726 1.00 0.00 C ATOM 270 C VAL A 18 -4.435 -4.749 -5.433 1.00 0.00 C ATOM 271 O VAL A 18 -4.540 -3.558 -5.153 1.00 0.00 O ATOM 272 CB VAL A 18 -2.064 -5.178 -4.552 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.655 -5.337 -3.146 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.966 -6.220 -4.761 1.00 0.00 C ATOM 0 H VAL A 18 -1.660 -4.094 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.193 -6.386 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.700 -4.151 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.866 -5.217 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.422 -4.579 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.098 -6.328 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.240 -6.151 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.407 -7.217 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.466 -6.036 -5.712 1.00 0.00 H new ATOM 284 N ILE A 19 -5.471 -5.587 -5.496 1.00 0.00 N ATOM 285 CA ILE A 19 -6.819 -5.225 -5.113 1.00 0.00 C ATOM 286 C ILE A 19 -7.354 -6.276 -4.166 1.00 0.00 C ATOM 287 O ILE A 19 -7.569 -7.441 -4.511 1.00 0.00 O ATOM 288 CB ILE A 19 -7.742 -5.019 -6.316 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.217 -3.815 -7.128 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.203 -4.877 -5.849 1.00 0.00 C ATOM 291 CD1 ILE A 19 -8.155 -3.208 -8.165 1.00 0.00 C ATOM 0 H ILE A 19 -5.386 -6.550 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.789 -4.260 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.736 -5.885 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.938 -3.030 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.305 -4.124 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.849 -4.731 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.505 -5.780 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.290 -4.019 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.659 -2.373 -8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.417 -3.964 -8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.060 -2.853 -7.673 1.00 0.00 H new ATOM 303 N ASP A 20 -7.651 -5.738 -3.000 1.00 0.00 N ATOM 304 CA ASP A 20 -8.370 -6.308 -1.887 1.00 0.00 C ATOM 305 C ASP A 20 -9.705 -6.849 -2.379 1.00 0.00 C ATOM 306 O ASP A 20 -10.599 -6.082 -2.751 1.00 0.00 O ATOM 307 CB ASP A 20 -8.579 -5.214 -0.838 1.00 0.00 C ATOM 308 CG ASP A 20 -9.152 -5.733 0.482 1.00 0.00 C ATOM 309 OD1 ASP A 20 -8.905 -5.040 1.493 1.00 0.00 O ATOM 310 OD2 ASP A 20 -9.799 -6.809 0.499 1.00 0.00 O ATOM 0 H ASP A 20 -7.359 -4.783 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.809 -7.130 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.626 -4.723 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.250 -4.457 -1.243 1.00 0.00 H new ATOM 316 N PHE A 21 -9.824 -8.174 -2.373 1.00 0.00 N ATOM 317 CA PHE A 21 -11.001 -8.924 -2.759 1.00 0.00 C ATOM 318 C PHE A 21 -12.258 -8.517 -1.973 1.00 0.00 C ATOM 319 O PHE A 21 -13.358 -8.794 -2.451 1.00 0.00 O ATOM 320 CB PHE A 21 -10.721 -10.426 -2.578 1.00 0.00 C ATOM 321 CG PHE A 21 -10.168 -11.156 -3.786 1.00 0.00 C ATOM 322 CD1 PHE A 21 -8.908 -10.816 -4.315 1.00 0.00 C ATOM 323 CD2 PHE A 21 -10.899 -12.214 -4.359 1.00 0.00 C ATOM 324 CE1 PHE A 21 -8.386 -11.531 -5.408 1.00 0.00 C ATOM 325 CE2 PHE A 21 -10.382 -12.916 -5.461 1.00 0.00 C ATOM 326 CZ PHE A 21 -9.122 -12.580 -5.984 1.00 0.00 C ATOM 0 H PHE A 21 -9.057 -8.780 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.208 -8.698 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.018 -10.546 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.649 -10.913 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.342 -10.005 -3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.861 -12.487 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.416 -11.273 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.955 -13.716 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.721 -13.126 -6.825 1.00 0.00 H new ATOM 336 N GLU A 22 -12.149 -7.912 -0.782 1.00 0.00 N ATOM 337 CA GLU A 22 -13.309 -7.371 -0.077 1.00 0.00 C ATOM 338 C GLU A 22 -13.797 -6.048 -0.682 1.00 0.00 C ATOM 339 O GLU A 22 -15.007 -5.803 -0.728 1.00 0.00 O ATOM 340 CB GLU A 22 -12.957 -7.132 1.397 1.00 0.00 C ATOM 341 CG GLU A 22 -14.210 -7.295 2.270 1.00 0.00 C ATOM 342 CD GLU A 22 -14.052 -6.670 3.658 1.00 0.00 C ATOM 343 OE1 GLU A 22 -13.683 -7.381 4.609 1.00 0.00 O ATOM 344 OE2 GLU A 22 -14.287 -5.444 3.822 1.00 0.00 O ATOM 0 H GLU A 22 -11.265 -7.787 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.109 -8.106 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.188 -7.837 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.544 -6.131 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.061 -6.837 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.436 -8.356 2.378 1.00 0.00 H new ATOM 352 N LEU A 23 -12.865 -5.170 -1.071 1.00 0.00 N ATOM 353 CA LEU A 23 -13.129 -3.755 -1.330 1.00 0.00 C ATOM 354 C LEU A 23 -13.325 -3.505 -2.820 1.00 0.00 C ATOM 355 O LEU A 23 -14.298 -2.853 -3.193 1.00 0.00 O ATOM 356 CB LEU A 23 -11.991 -2.866 -0.778 1.00 0.00 C ATOM 357 CG LEU A 23 -12.197 -2.250 0.619 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.373 -1.268 0.647 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.368 -3.300 1.719 1.00 0.00 C ATOM 0 H LEU A 23 -11.890 -5.431 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.050 -3.488 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.078 -3.461 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.823 -2.053 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.279 -1.702 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.481 -0.858 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.187 -0.457 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.289 -1.789 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.509 -2.802 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.238 -3.918 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.478 -3.928 1.764 1.00 0.00 H new ATOM 371 N GLY A 24 -12.411 -3.984 -3.667 1.00 0.00 N ATOM 372 CA GLY A 24 -12.496 -3.832 -5.115 1.00 0.00 C ATOM 373 C GLY A 24 -11.762 -2.591 -5.610 1.00 0.00 C ATOM 374 O GLY A 24 -12.054 -2.063 -6.690 1.00 0.00 O ATOM 0 H GLY A 24 -11.583 -4.494 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.077 -4.716 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.543 -3.774 -5.411 1.00 0.00 H new ATOM 378 N LEU A 25 -10.850 -2.075 -4.784 1.00 0.00 N ATOM 379 CA LEU A 25 -9.952 -0.988 -5.100 1.00 0.00 C ATOM 380 C LEU A 25 -8.578 -1.342 -4.558 1.00 0.00 C ATOM 381 O LEU A 25 -8.436 -2.112 -3.603 1.00 0.00 O ATOM 382 CB LEU A 25 -10.390 0.372 -4.527 1.00 0.00 C ATOM 383 CG LEU A 25 -11.599 0.490 -3.586 1.00 0.00 C ATOM 384 CD1 LEU A 25 -11.548 1.887 -2.957 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.949 0.311 -4.290 1.00 0.00 C ATOM 0 H LEU A 25 -10.720 -2.427 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.950 -0.871 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.532 0.784 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.583 1.027 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.532 -0.310 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.393 2.012 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.617 2.002 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.598 2.642 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.755 0.407 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.062 1.075 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.992 -0.676 -4.750 1.00 0.00 H new ATOM 397 N ASP A 26 -7.567 -0.737 -5.168 1.00 0.00 N ATOM 398 CA ASP A 26 -6.175 -0.904 -4.789 1.00 0.00 C ATOM 399 C ASP A 26 -5.809 0.044 -3.640 1.00 0.00 C ATOM 400 O ASP A 26 -6.530 0.996 -3.329 1.00 0.00 O ATOM 401 CB ASP A 26 -5.297 -0.652 -6.032 1.00 0.00 C ATOM 402 CG ASP A 26 -5.171 0.838 -6.329 1.00 0.00 C ATOM 403 OD1 ASP A 26 -5.955 1.367 -7.154 1.00 0.00 O ATOM 404 OD2 ASP A 26 -4.294 1.487 -5.731 1.00 0.00 O ATOM 0 H ASP A 26 -7.698 -0.103 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.004 -1.919 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.306 -1.078 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.728 -1.161 -6.894 1.00 0.00 H new ATOM 410 N VAL A 27 -4.670 -0.190 -2.997 1.00 0.00 N ATOM 411 CA VAL A 27 -4.246 0.540 -1.816 1.00 0.00 C ATOM 412 C VAL A 27 -3.948 2.023 -2.050 1.00 0.00 C ATOM 413 O VAL A 27 -4.042 2.818 -1.109 1.00 0.00 O ATOM 414 CB VAL A 27 -3.010 -0.140 -1.210 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.306 -1.572 -0.762 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.808 -0.183 -2.160 1.00 0.00 C ATOM 0 H VAL A 27 -4.006 -0.906 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.094 0.512 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.755 0.481 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.404 -2.015 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.093 -1.562 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.632 -2.161 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.971 -0.677 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.076 -0.736 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.521 0.833 -2.430 1.00 0.00 H new ATOM 426 N VAL A 28 -3.552 2.413 -3.261 1.00 0.00 N ATOM 427 CA VAL A 28 -3.312 3.798 -3.640 1.00 0.00 C ATOM 428 C VAL A 28 -4.668 4.471 -3.866 1.00 0.00 C ATOM 429 O VAL A 28 -4.849 5.620 -3.467 1.00 0.00 O ATOM 430 CB VAL A 28 -2.383 3.870 -4.878 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.973 5.321 -5.165 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.112 3.025 -4.677 1.00 0.00 C ATOM 0 H VAL A 28 -3.386 1.755 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.791 4.335 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.944 3.472 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.321 5.349 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.863 5.919 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.443 5.727 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.483 3.098 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.563 3.394 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.389 1.984 -4.514 1.00 0.00 H new ATOM 442 N SER A 29 -5.655 3.736 -4.387 1.00 0.00 N ATOM 443 CA SER A 29 -7.036 4.207 -4.446 1.00 0.00 C ATOM 444 C SER A 29 -7.584 4.439 -3.039 1.00 0.00 C ATOM 445 O SER A 29 -8.047 5.540 -2.742 1.00 0.00 O ATOM 446 CB SER A 29 -7.927 3.241 -5.223 1.00 0.00 C ATOM 447 OG SER A 29 -7.611 3.280 -6.602 1.00 0.00 O ATOM 0 H SER A 29 -5.517 2.804 -4.777 1.00 0.00 H new ATOM 0 HA SER A 29 -7.040 5.157 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.796 2.228 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.975 3.504 -5.076 1.00 0.00 H new ATOM 0 HG SER A 29 -6.971 2.568 -6.811 1.00 0.00 H new ATOM 453 N LEU A 30 -7.466 3.450 -2.144 1.00 0.00 N ATOM 454 CA LEU A 30 -7.762 3.613 -0.723 1.00 0.00 C ATOM 455 C LEU A 30 -6.798 4.586 -0.023 1.00 0.00 C ATOM 456 O LEU A 30 -6.997 4.887 1.150 1.00 0.00 O ATOM 457 CB LEU A 30 -7.791 2.236 -0.023 1.00 0.00 C ATOM 458 CG LEU A 30 -9.191 1.582 -0.010 1.00 0.00 C ATOM 459 CD1 LEU A 30 -9.227 0.260 -0.775 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.698 1.340 1.415 1.00 0.00 C ATOM 0 H LEU A 30 -7.160 2.509 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.751 4.065 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.091 1.568 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.443 2.351 1.003 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.846 2.295 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.233 -0.157 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.948 0.433 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.525 -0.441 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.685 0.879 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.009 0.678 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.762 2.290 1.945 1.00 0.00 H new ATOM 472 N GLY A 31 -5.779 5.110 -0.707 1.00 0.00 N ATOM 473 CA GLY A 31 -4.899 6.165 -0.235 1.00 0.00 C ATOM 474 C GLY A 31 -4.088 5.802 1.005 1.00 0.00 C ATOM 475 O GLY A 31 -3.493 6.706 1.582 1.00 0.00 O ATOM 0 H GLY A 31 -5.539 4.792 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.212 6.434 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.497 7.050 -0.017 1.00 0.00 H new ATOM 479 N LEU A 32 -4.058 4.525 1.408 1.00 0.00 N ATOM 480 CA LEU A 32 -3.533 4.014 2.680 1.00 0.00 C ATOM 481 C LEU A 32 -2.116 4.528 2.900 1.00 0.00 C ATOM 482 O LEU A 32 -1.870 5.244 3.869 1.00 0.00 O ATOM 483 CB LEU A 32 -3.586 2.470 2.683 1.00 0.00 C ATOM 484 CG LEU A 32 -5.034 1.928 2.697 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.155 0.636 1.886 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.575 1.675 4.106 1.00 0.00 C ATOM 0 H LEU A 32 -4.422 3.776 0.819 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.149 4.373 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.068 2.090 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.052 2.093 3.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.635 2.715 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.186 0.282 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.868 0.827 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.498 -0.123 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.595 1.296 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.946 0.941 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.569 2.607 4.671 1.00 0.00 H new ATOM 498 N VAL A 33 -1.222 4.184 1.971 1.00 0.00 N ATOM 499 CA VAL A 33 0.218 4.415 1.974 1.00 0.00 C ATOM 500 C VAL A 33 0.542 5.832 2.472 1.00 0.00 C ATOM 501 O VAL A 33 0.141 6.807 1.841 1.00 0.00 O ATOM 502 CB VAL A 33 0.750 4.161 0.543 1.00 0.00 C ATOM 503 CG1 VAL A 33 2.273 4.308 0.496 1.00 0.00 C ATOM 504 CG2 VAL A 33 0.386 2.757 0.018 1.00 0.00 C ATOM 0 H VAL A 33 -1.516 3.695 1.126 1.00 0.00 H new ATOM 0 HA VAL A 33 0.712 3.730 2.662 1.00 0.00 H new ATOM 0 HB VAL A 33 0.273 4.907 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.625 4.125 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.551 5.317 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.729 3.586 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.783 2.631 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.816 2.000 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.698 2.646 -0.003 1.00 0.00 H new ATOM 514 N TYR A 34 1.231 5.938 3.618 1.00 0.00 N ATOM 515 CA TYR A 34 1.724 7.198 4.150 1.00 0.00 C ATOM 516 C TYR A 34 3.109 7.444 3.536 1.00 0.00 C ATOM 517 O TYR A 34 3.209 7.932 2.400 1.00 0.00 O ATOM 518 CB TYR A 34 1.740 7.142 5.698 1.00 0.00 C ATOM 519 CG TYR A 34 0.413 7.156 6.434 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.594 8.085 6.105 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.235 6.298 7.538 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.783 8.139 6.856 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.949 6.351 8.289 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.966 7.270 7.953 1.00 0.00 C ATOM 525 OH TYR A 34 -3.079 7.348 8.734 1.00 0.00 O ATOM 0 H TYR A 34 1.460 5.134 4.203 1.00 0.00 H new ATOM 0 HA TYR A 34 1.077 8.035 3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.273 6.238 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.327 7.989 6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.453 8.759 5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.012 5.598 7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.556 8.846 6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.083 5.685 9.129 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.839 7.648 8.192 1.00 0.00 H new ATOM 535 N ASP A 35 4.189 7.063 4.221 1.00 0.00 N ATOM 536 CA ASP A 35 5.544 7.248 3.700 1.00 0.00 C ATOM 537 C ASP A 35 5.902 6.146 2.712 1.00 0.00 C ATOM 538 O ASP A 35 5.380 5.030 2.799 1.00 0.00 O ATOM 539 CB ASP A 35 6.605 7.219 4.806 1.00 0.00 C ATOM 540 CG ASP A 35 7.952 7.689 4.248 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.972 8.741 3.568 1.00 0.00 O ATOM 542 OD2 ASP A 35 8.962 6.972 4.395 1.00 0.00 O ATOM 0 H ASP A 35 4.151 6.623 5.141 1.00 0.00 H new ATOM 0 HA ASP A 35 5.542 8.226 3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.300 7.861 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.699 6.209 5.205 1.00 0.00 H new ATOM 548 N ILE A 36 6.849 6.447 1.826 1.00 0.00 N ATOM 549 CA ILE A 36 7.561 5.495 0.996 1.00 0.00 C ATOM 550 C ILE A 36 8.972 6.077 0.896 1.00 0.00 C ATOM 551 O ILE A 36 9.160 7.165 0.333 1.00 0.00 O ATOM 552 CB ILE A 36 6.916 5.357 -0.402 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.380 5.258 -0.459 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.536 4.146 -1.121 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.845 5.799 -1.780 1.00 0.00 C ATOM 0 H ILE A 36 7.150 7.408 1.665 1.00 0.00 H new ATOM 0 HA ILE A 36 7.546 4.490 1.417 1.00 0.00 H new ATOM 0 HB ILE A 36 7.136 6.302 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.075 4.219 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.945 5.817 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.087 4.040 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.611 4.296 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.350 3.243 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.758 5.717 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.131 6.845 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.263 5.222 -2.605 1.00 0.00 H new ATOM 567 N GLN A 37 9.971 5.383 1.420 1.00 0.00 N ATOM 568 CA GLN A 37 11.370 5.740 1.270 1.00 0.00 C ATOM 569 C GLN A 37 12.092 4.546 0.689 1.00 0.00 C ATOM 570 O GLN A 37 11.818 3.415 1.081 1.00 0.00 O ATOM 571 CB GLN A 37 11.999 6.198 2.587 1.00 0.00 C ATOM 572 CG GLN A 37 11.915 5.194 3.734 1.00 0.00 C ATOM 573 CD GLN A 37 12.268 5.829 5.068 1.00 0.00 C ATOM 574 OE1 GLN A 37 13.414 5.815 5.501 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.285 6.389 5.752 1.00 0.00 N ATOM 0 H GLN A 37 9.826 4.538 1.973 1.00 0.00 H new ATOM 0 HA GLN A 37 11.457 6.594 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.048 6.432 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.515 7.123 2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.907 4.782 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.590 4.361 3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.337 6.391 5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.474 6.820 6.657 1.00 0.00 H new ATOM 584 N ILE A 38 12.986 4.788 -0.260 1.00 0.00 N ATOM 585 CA ILE A 38 13.836 3.749 -0.796 1.00 0.00 C ATOM 586 C ILE A 38 15.268 4.207 -0.561 1.00 0.00 C ATOM 587 O ILE A 38 15.636 5.347 -0.854 1.00 0.00 O ATOM 588 CB ILE A 38 13.480 3.471 -2.266 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.984 3.157 -2.461 1.00 0.00 C ATOM 590 CG2 ILE A 38 14.288 2.274 -2.776 1.00 0.00 C ATOM 591 CD1 ILE A 38 11.105 4.384 -2.643 1.00 0.00 C ATOM 0 H ILE A 38 13.137 5.708 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 38 13.697 2.787 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 38 13.718 4.376 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.871 2.511 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.628 2.594 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.033 2.080 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.353 2.494 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 38 14.054 1.395 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.069 4.073 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.184 5.022 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.431 4.938 -3.523 1.00 0.00 H new ATOM 603 N ASP A 39 16.053 3.333 0.056 1.00 0.00 N ATOM 604 CA ASP A 39 17.471 3.569 0.262 1.00 0.00 C ATOM 605 C ASP A 39 18.208 3.305 -1.036 1.00 0.00 C ATOM 606 O ASP A 39 17.700 2.612 -1.920 1.00 0.00 O ATOM 607 CB ASP A 39 18.006 2.642 1.356 1.00 0.00 C ATOM 608 CG ASP A 39 17.464 3.007 2.731 1.00 0.00 C ATOM 609 OD1 ASP A 39 17.433 2.104 3.593 1.00 0.00 O ATOM 610 OD2 ASP A 39 17.082 4.180 2.944 1.00 0.00 O ATOM 0 H ASP A 39 15.722 2.442 0.426 1.00 0.00 H new ATOM 0 HA ASP A 39 17.625 4.602 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.736 1.612 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.095 2.691 1.371 1.00 0.00 H new ATOM 616 N ASP A 40 19.460 3.747 -1.116 1.00 0.00 N ATOM 617 CA ASP A 40 20.367 3.490 -2.242 1.00 0.00 C ATOM 618 C ASP A 40 20.553 1.985 -2.493 1.00 0.00 C ATOM 619 O ASP A 40 20.913 1.554 -3.587 1.00 0.00 O ATOM 620 CB ASP A 40 21.725 4.151 -1.961 1.00 0.00 C ATOM 621 CG ASP A 40 22.438 4.558 -3.245 1.00 0.00 C ATOM 622 OD1 ASP A 40 23.517 4.004 -3.561 1.00 0.00 O ATOM 623 OD2 ASP A 40 21.968 5.507 -3.915 1.00 0.00 O ATOM 0 H ASP A 40 19.888 4.310 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 40 19.924 3.918 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.577 5.030 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.355 3.461 -1.400 1.00 0.00 H new ATOM 629 N GLN A 41 20.259 1.177 -1.470 1.00 0.00 N ATOM 630 CA GLN A 41 20.290 -0.278 -1.456 1.00 0.00 C ATOM 631 C GLN A 41 18.941 -0.904 -1.841 1.00 0.00 C ATOM 632 O GLN A 41 18.683 -2.065 -1.532 1.00 0.00 O ATOM 633 CB GLN A 41 20.773 -0.718 -0.060 1.00 0.00 C ATOM 634 CG GLN A 41 22.167 -0.171 0.302 1.00 0.00 C ATOM 635 CD GLN A 41 23.171 -0.318 -0.837 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.772 0.648 -1.289 1.00 0.00 O ATOM 637 NE2 GLN A 41 23.330 -1.511 -1.382 1.00 0.00 N ATOM 0 H GLN A 41 19.973 1.556 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 41 20.981 -0.640 -2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.054 -0.384 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.795 -1.807 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.081 0.882 0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.542 -0.695 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 41 22.829 -2.315 -1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.954 -1.628 -2.180 1.00 0.00 H new ATOM 646 N ASN A 42 18.049 -0.124 -2.455 1.00 0.00 N ATOM 647 CA ASN A 42 16.662 -0.425 -2.821 1.00 0.00 C ATOM 648 C ASN A 42 15.947 -1.180 -1.722 1.00 0.00 C ATOM 649 O ASN A 42 15.190 -2.114 -1.994 1.00 0.00 O ATOM 650 CB ASN A 42 16.553 -1.159 -4.161 1.00 0.00 C ATOM 651 CG ASN A 42 17.089 -0.338 -5.283 1.00 0.00 C ATOM 652 OD1 ASN A 42 16.826 0.856 -5.380 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.757 -0.975 -6.199 1.00 0.00 N ATOM 0 H ASN A 42 18.303 0.823 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 42 16.162 0.535 -2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.099 -2.101 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.510 -1.406 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.080 -0.481 -7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.958 -1.969 -6.086 1.00 0.00 H new ATOM 660 N ASN A 43 16.224 -0.804 -0.472 1.00 0.00 N ATOM 661 CA ASN A 43 15.411 -1.258 0.628 1.00 0.00 C ATOM 662 C ASN A 43 14.163 -0.405 0.531 1.00 0.00 C ATOM 663 O ASN A 43 14.189 0.766 0.896 1.00 0.00 O ATOM 664 CB ASN A 43 16.089 -1.120 1.993 1.00 0.00 C ATOM 665 CG ASN A 43 17.212 -2.107 2.244 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.210 -2.789 3.255 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.149 -2.299 1.332 1.00 0.00 N ATOM 0 H ASN A 43 16.998 -0.193 -0.211 1.00 0.00 H new ATOM 0 HA ASN A 43 15.209 -2.327 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.485 -0.109 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.336 -1.241 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 43 18.863 -3.013 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.158 -1.733 0.483 1.00 0.00 H new ATOM 674 N VAL A 44 13.134 -0.941 -0.113 1.00 0.00 N ATOM 675 CA VAL A 44 11.863 -0.272 -0.266 1.00 0.00 C ATOM 676 C VAL A 44 11.175 -0.333 1.092 1.00 0.00 C ATOM 677 O VAL A 44 10.829 -1.420 1.553 1.00 0.00 O ATOM 678 CB VAL A 44 11.103 -0.971 -1.416 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.614 -0.597 -1.458 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.735 -0.637 -2.775 1.00 0.00 C ATOM 0 H VAL A 44 13.166 -1.864 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 44 11.933 0.779 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 44 11.180 -2.040 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.131 -1.117 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.139 -0.887 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.513 0.479 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.182 -1.141 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.701 0.440 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.772 -0.973 -2.786 1.00 0.00 H new ATOM 690 N LYS A 45 10.983 0.817 1.745 1.00 0.00 N ATOM 691 CA LYS A 45 10.363 0.905 3.045 1.00 0.00 C ATOM 692 C LYS A 45 9.133 1.742 2.840 1.00 0.00 C ATOM 693 O LYS A 45 9.136 2.744 2.123 1.00 0.00 O ATOM 694 CB LYS A 45 11.344 1.550 4.023 1.00 0.00 C ATOM 695 CG LYS A 45 10.803 1.624 5.467 1.00 0.00 C ATOM 696 CD LYS A 45 11.784 2.357 6.395 1.00 0.00 C ATOM 697 CE LYS A 45 12.688 1.368 7.133 1.00 0.00 C ATOM 698 NZ LYS A 45 12.221 1.090 8.508 1.00 0.00 N ATOM 0 H LYS A 45 11.264 1.722 1.367 1.00 0.00 H new ATOM 0 HA LYS A 45 10.096 -0.065 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.276 0.984 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.581 2.557 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.842 2.138 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.627 0.616 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.394 3.047 5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.228 2.955 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.733 0.434 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.702 1.766 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.676 0.224 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.469 1.888 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.189 0.962 8.505 1.00 0.00 H new ATOM 712 N VAL A 46 8.068 1.293 3.463 1.00 0.00 N ATOM 713 CA VAL A 46 6.765 1.886 3.302 1.00 0.00 C ATOM 714 C VAL A 46 6.153 1.987 4.687 1.00 0.00 C ATOM 715 O VAL A 46 6.246 1.034 5.469 1.00 0.00 O ATOM 716 CB VAL A 46 5.919 1.045 2.321 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.735 1.892 1.851 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.697 0.545 1.087 1.00 0.00 C ATOM 0 H VAL A 46 8.084 0.498 4.102 1.00 0.00 H new ATOM 0 HA VAL A 46 6.817 2.883 2.866 1.00 0.00 H new ATOM 0 HB VAL A 46 5.599 0.156 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.126 1.313 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.130 2.180 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.104 2.787 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.032 -0.037 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.081 1.399 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.529 -0.081 1.410 1.00 0.00 H new ATOM 728 N LEU A 47 5.476 3.099 4.966 1.00 0.00 N ATOM 729 CA LEU A 47 4.549 3.195 6.080 1.00 0.00 C ATOM 730 C LEU A 47 3.149 3.003 5.506 1.00 0.00 C ATOM 731 O LEU A 47 2.398 3.963 5.336 1.00 0.00 O ATOM 732 CB LEU A 47 4.743 4.509 6.871 1.00 0.00 C ATOM 733 CG LEU A 47 4.897 4.223 8.367 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.294 3.670 8.686 1.00 0.00 C ATOM 735 CD2 LEU A 47 4.616 5.500 9.162 1.00 0.00 C ATOM 0 H LEU A 47 5.558 3.958 4.422 1.00 0.00 H new ATOM 0 HA LEU A 47 4.731 2.420 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.625 5.034 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.890 5.167 6.708 1.00 0.00 H new ATOM 0 HG LEU A 47 4.175 3.459 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.373 3.477 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.452 2.742 8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.050 4.399 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.725 5.297 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.322 6.276 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.600 5.838 8.960 1.00 0.00 H new ATOM 747 N MET A 48 2.800 1.782 5.106 1.00 0.00 N ATOM 748 CA MET A 48 1.450 1.416 4.738 1.00 0.00 C ATOM 749 C MET A 48 0.784 0.747 5.936 1.00 0.00 C ATOM 750 O MET A 48 1.428 0.049 6.722 1.00 0.00 O ATOM 751 CB MET A 48 1.494 0.540 3.496 1.00 0.00 C ATOM 752 CG MET A 48 0.107 0.143 3.011 1.00 0.00 C ATOM 753 SD MET A 48 -0.413 -1.465 3.659 1.00 0.00 S ATOM 754 CE MET A 48 -2.019 -1.628 2.849 1.00 0.00 C ATOM 0 H MET A 48 3.465 1.012 5.030 1.00 0.00 H new ATOM 0 HA MET A 48 0.848 2.288 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.015 1.071 2.700 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.071 -0.359 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.613 0.904 3.313 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.100 0.113 1.921 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.794 -1.765 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.229 -0.727 2.272 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.004 -2.490 2.182 1.00 0.00 H new ATOM 764 N THR A 49 -0.507 0.971 6.079 1.00 0.00 N ATOM 765 CA THR A 49 -1.354 0.498 7.153 1.00 0.00 C ATOM 766 C THR A 49 -2.658 -0.014 6.538 1.00 0.00 C ATOM 767 O THR A 49 -2.923 0.221 5.356 1.00 0.00 O ATOM 768 CB THR A 49 -1.532 1.652 8.157 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.125 1.148 9.332 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.323 2.865 7.628 1.00 0.00 C ATOM 0 H THR A 49 -1.027 1.527 5.400 1.00 0.00 H new ATOM 0 HA THR A 49 -0.923 -0.336 7.707 1.00 0.00 H new ATOM 0 HB THR A 49 -0.534 2.043 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.585 1.406 10.108 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.393 3.622 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.811 3.284 6.762 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.325 2.548 7.339 1.00 0.00 H new ATOM 778 N MET A 50 -3.472 -0.717 7.323 1.00 0.00 N ATOM 779 CA MET A 50 -4.812 -1.103 6.901 1.00 0.00 C ATOM 780 C MET A 50 -5.779 0.008 7.299 1.00 0.00 C ATOM 781 O MET A 50 -5.422 0.922 8.042 1.00 0.00 O ATOM 782 CB MET A 50 -5.243 -2.441 7.525 1.00 0.00 C ATOM 783 CG MET A 50 -4.236 -3.581 7.349 1.00 0.00 C ATOM 784 SD MET A 50 -3.502 -3.732 5.698 1.00 0.00 S ATOM 785 CE MET A 50 -4.936 -4.190 4.707 1.00 0.00 C ATOM 0 H MET A 50 -3.222 -1.032 8.261 1.00 0.00 H new ATOM 0 HA MET A 50 -4.818 -1.242 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.418 -2.290 8.590 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.194 -2.742 7.085 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.432 -3.447 8.073 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.732 -4.520 7.594 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.693 -4.092 3.649 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.212 -5.222 4.922 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.771 -3.533 4.950 1.00 0.00 H new ATOM 795 N THR A 51 -7.033 -0.099 6.865 1.00 0.00 N ATOM 796 CA THR A 51 -8.096 0.684 7.474 1.00 0.00 C ATOM 797 C THR A 51 -8.237 0.282 8.949 1.00 0.00 C ATOM 798 O THR A 51 -8.165 1.128 9.847 1.00 0.00 O ATOM 799 CB THR A 51 -9.402 0.548 6.667 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.414 1.173 7.403 1.00 0.00 O ATOM 801 CG2 THR A 51 -9.829 -0.872 6.260 1.00 0.00 C ATOM 0 H THR A 51 -7.331 -0.711 6.106 1.00 0.00 H new ATOM 0 HA THR A 51 -7.848 1.745 7.452 1.00 0.00 H new ATOM 0 HB THR A 51 -9.213 1.024 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.446 2.125 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.762 -0.824 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.054 -1.321 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.974 -1.479 7.154 1.00 0.00 H new ATOM 809 N THR A 52 -8.414 -1.017 9.208 1.00 0.00 N ATOM 810 CA THR A 52 -8.822 -1.540 10.498 1.00 0.00 C ATOM 811 C THR A 52 -7.964 -2.766 10.832 1.00 0.00 C ATOM 812 O THR A 52 -7.444 -3.416 9.919 1.00 0.00 O ATOM 813 CB THR A 52 -10.326 -1.893 10.441 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.574 -2.958 9.540 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.216 -0.725 10.009 1.00 0.00 C ATOM 0 H THR A 52 -8.272 -1.743 8.506 1.00 0.00 H new ATOM 0 HA THR A 52 -8.675 -0.799 11.284 1.00 0.00 H new ATOM 0 HB THR A 52 -10.577 -2.171 11.464 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.519 -2.954 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.257 -1.048 9.992 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.103 0.099 10.714 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.923 -0.393 9.013 1.00 0.00 H new ATOM 823 N PRO A 53 -7.842 -3.142 12.112 1.00 0.00 N ATOM 824 CA PRO A 53 -7.160 -4.355 12.552 1.00 0.00 C ATOM 825 C PRO A 53 -7.998 -5.631 12.317 1.00 0.00 C ATOM 826 O PRO A 53 -7.791 -6.636 13.006 1.00 0.00 O ATOM 827 CB PRO A 53 -6.814 -4.081 14.017 1.00 0.00 C ATOM 828 CG PRO A 53 -8.012 -3.264 14.490 1.00 0.00 C ATOM 829 CD PRO A 53 -8.303 -2.390 13.274 1.00 0.00 C ATOM 0 HA PRO A 53 -6.261 -4.566 11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.701 -5.003 14.587 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.880 -3.528 14.117 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.860 -3.897 14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.777 -2.669 15.373 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.368 -2.171 13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.785 -1.434 13.349 1.00 0.00 H new ATOM 837 N MET A 54 -9.041 -5.560 11.480 1.00 0.00 N ATOM 838 CA MET A 54 -9.952 -6.659 11.184 1.00 0.00 C ATOM 839 C MET A 54 -9.555 -7.272 9.840 1.00 0.00 C ATOM 840 O MET A 54 -8.829 -8.269 9.827 1.00 0.00 O ATOM 841 CB MET A 54 -11.413 -6.178 11.205 1.00 0.00 C ATOM 842 CG MET A 54 -11.868 -5.749 12.605 1.00 0.00 C ATOM 843 SD MET A 54 -13.536 -5.035 12.683 1.00 0.00 S ATOM 844 CE MET A 54 -13.269 -3.447 11.850 1.00 0.00 C ATOM 0 H MET A 54 -9.277 -4.705 10.976 1.00 0.00 H new ATOM 0 HA MET A 54 -9.876 -7.430 11.951 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.527 -5.341 10.517 1.00 0.00 H new ATOM 0 HB3 MET A 54 -12.061 -6.977 10.845 1.00 0.00 H new ATOM 0 HG2 MET A 54 -11.828 -6.615 13.265 1.00 0.00 H new ATOM 0 HG3 MET A 54 -11.158 -5.019 12.994 1.00 0.00 H new ATOM 0 HE1 MET A 54 -14.206 -2.890 11.819 1.00 0.00 H new ATOM 0 HE2 MET A 54 -12.522 -2.871 12.396 1.00 0.00 H new ATOM 0 HE3 MET A 54 -12.918 -3.624 10.833 1.00 0.00 H new ATOM 854 N CYS A 55 -10.008 -6.678 8.724 1.00 0.00 N ATOM 855 CA CYS A 55 -10.024 -7.258 7.382 1.00 0.00 C ATOM 856 C CYS A 55 -10.673 -8.666 7.362 1.00 0.00 C ATOM 857 O CYS A 55 -11.036 -9.200 8.412 1.00 0.00 O ATOM 858 CB CYS A 55 -8.600 -7.182 6.809 1.00 0.00 C ATOM 859 SG CYS A 55 -8.108 -5.449 6.557 1.00 0.00 S ATOM 0 H CYS A 55 -10.391 -5.733 8.740 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.670 -6.683 6.719 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.901 -7.670 7.489 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.553 -7.721 5.863 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.821 -5.338 6.700 1.00 0.00 H new ATOM 865 N PRO A 56 -10.905 -9.285 6.188 1.00 0.00 N ATOM 866 CA PRO A 56 -11.530 -10.598 6.147 1.00 0.00 C ATOM 867 C PRO A 56 -10.516 -11.740 6.143 1.00 0.00 C ATOM 868 O PRO A 56 -10.886 -12.858 6.498 1.00 0.00 O ATOM 869 CB PRO A 56 -12.367 -10.597 4.876 1.00 0.00 C ATOM 870 CG PRO A 56 -11.550 -9.721 3.936 1.00 0.00 C ATOM 871 CD PRO A 56 -10.815 -8.731 4.846 1.00 0.00 C ATOM 0 HA PRO A 56 -12.130 -10.770 7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.500 -11.603 4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.363 -10.188 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.847 -10.317 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.192 -9.201 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.775 -8.616 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.273 -7.743 4.799 1.00 0.00 H new ATOM 879 N LEU A 57 -9.287 -11.471 5.699 1.00 0.00 N ATOM 880 CA LEU A 57 -8.144 -12.366 5.553 1.00 0.00 C ATOM 881 C LEU A 57 -6.902 -11.468 5.593 1.00 0.00 C ATOM 882 O LEU A 57 -6.159 -11.336 4.619 1.00 0.00 O ATOM 883 CB LEU A 57 -8.265 -13.274 4.302 1.00 0.00 C ATOM 884 CG LEU A 57 -9.102 -12.775 3.100 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.551 -11.509 2.442 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.192 -13.855 2.024 1.00 0.00 C ATOM 0 H LEU A 57 -9.046 -10.525 5.404 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.083 -13.095 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.256 -13.476 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.685 -14.227 4.624 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.082 -12.540 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.193 -11.223 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.525 -10.701 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.542 -11.699 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.784 -13.486 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.190 -14.107 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.666 -14.744 2.440 1.00 0.00 H new ATOM 898 N ALA A 58 -6.735 -10.770 6.723 1.00 0.00 N ATOM 899 CA ALA A 58 -5.761 -9.706 6.927 1.00 0.00 C ATOM 900 C ALA A 58 -4.365 -10.107 6.462 1.00 0.00 C ATOM 901 O ALA A 58 -3.751 -9.367 5.694 1.00 0.00 O ATOM 902 CB ALA A 58 -5.709 -9.325 8.411 1.00 0.00 C ATOM 0 H ALA A 58 -7.303 -10.944 7.552 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.082 -8.854 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.979 -8.529 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.692 -8.980 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.420 -10.195 9.000 1.00 0.00 H new ATOM 908 N GLY A 59 -3.850 -11.238 6.942 1.00 0.00 N ATOM 909 CA GLY A 59 -2.478 -11.662 6.712 1.00 0.00 C ATOM 910 C GLY A 59 -2.177 -11.816 5.230 1.00 0.00 C ATOM 911 O GLY A 59 -1.136 -11.357 4.763 1.00 0.00 O ATOM 0 H GLY A 59 -4.387 -11.893 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.794 -10.934 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.300 -12.610 7.220 1.00 0.00 H new ATOM 915 N MET A 60 -3.121 -12.395 4.496 1.00 0.00 N ATOM 916 CA MET A 60 -3.050 -12.612 3.066 1.00 0.00 C ATOM 917 C MET A 60 -2.952 -11.271 2.349 1.00 0.00 C ATOM 918 O MET A 60 -2.108 -11.110 1.474 1.00 0.00 O ATOM 919 CB MET A 60 -4.298 -13.396 2.646 1.00 0.00 C ATOM 920 CG MET A 60 -4.148 -14.093 1.284 1.00 0.00 C ATOM 921 SD MET A 60 -2.987 -15.490 1.212 1.00 0.00 S ATOM 922 CE MET A 60 -1.608 -14.725 0.321 1.00 0.00 C ATOM 0 H MET A 60 -3.991 -12.738 4.904 1.00 0.00 H new ATOM 0 HA MET A 60 -2.164 -13.187 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.522 -14.144 3.407 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.149 -12.717 2.607 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.130 -14.449 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.832 -13.349 0.553 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.683 -15.246 0.566 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.787 -14.790 -0.752 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.523 -13.678 0.612 1.00 0.00 H new ATOM 932 N ILE A 61 -3.765 -10.289 2.750 1.00 0.00 N ATOM 933 CA ILE A 61 -3.750 -8.948 2.175 1.00 0.00 C ATOM 934 C ILE A 61 -2.395 -8.272 2.440 1.00 0.00 C ATOM 935 O ILE A 61 -1.877 -7.560 1.575 1.00 0.00 O ATOM 936 CB ILE A 61 -4.933 -8.140 2.750 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.284 -8.691 2.250 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.816 -6.661 2.392 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.493 -7.956 2.847 1.00 0.00 C ATOM 0 H ILE A 61 -4.457 -10.408 3.490 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.871 -8.999 1.093 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.895 -8.243 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.321 -8.615 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.352 -9.750 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.663 -6.117 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.889 -6.260 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.812 -6.548 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.413 -8.391 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.479 -8.054 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.447 -6.901 2.577 1.00 0.00 H new ATOM 951 N LEU A 62 -1.811 -8.460 3.632 1.00 0.00 N ATOM 952 CA LEU A 62 -0.492 -7.900 3.912 1.00 0.00 C ATOM 953 C LEU A 62 0.518 -8.491 2.928 1.00 0.00 C ATOM 954 O LEU A 62 1.294 -7.757 2.316 1.00 0.00 O ATOM 955 CB LEU A 62 -0.016 -8.146 5.349 1.00 0.00 C ATOM 956 CG LEU A 62 -0.901 -7.619 6.486 1.00 0.00 C ATOM 957 CD1 LEU A 62 -0.286 -7.999 7.835 1.00 0.00 C ATOM 958 CD2 LEU A 62 -1.151 -6.112 6.423 1.00 0.00 C ATOM 0 H LEU A 62 -2.226 -8.986 4.401 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.570 -6.819 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.103 -9.221 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.973 -7.700 5.457 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.877 -8.090 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.916 -7.624 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.211 -9.084 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.708 -7.560 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.784 -5.813 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.200 -5.583 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.647 -5.864 5.485 1.00 0.00 H new ATOM 970 N SER A 63 0.482 -9.816 2.770 1.00 0.00 N ATOM 971 CA SER A 63 1.367 -10.540 1.877 1.00 0.00 C ATOM 972 C SER A 63 1.130 -10.181 0.404 1.00 0.00 C ATOM 973 O SER A 63 2.082 -10.213 -0.373 1.00 0.00 O ATOM 974 CB SER A 63 1.204 -12.041 2.142 1.00 0.00 C ATOM 975 OG SER A 63 1.462 -12.310 3.512 1.00 0.00 O ATOM 0 H SER A 63 -0.174 -10.417 3.269 1.00 0.00 H new ATOM 0 HA SER A 63 2.398 -10.249 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.195 -12.360 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.890 -12.609 1.513 1.00 0.00 H new ATOM 0 HG SER A 63 0.687 -12.043 4.049 1.00 0.00 H new ATOM 981 N ASP A 64 -0.085 -9.797 0.007 1.00 0.00 N ATOM 982 CA ASP A 64 -0.407 -9.431 -1.372 1.00 0.00 C ATOM 983 C ASP A 64 0.203 -8.077 -1.722 1.00 0.00 C ATOM 984 O ASP A 64 0.774 -7.909 -2.795 1.00 0.00 O ATOM 985 CB ASP A 64 -1.927 -9.382 -1.568 1.00 0.00 C ATOM 986 CG ASP A 64 -2.350 -9.493 -3.033 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.844 -10.386 -3.755 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.287 -8.769 -3.440 1.00 0.00 O ATOM 0 H ASP A 64 -0.881 -9.731 0.642 1.00 0.00 H new ATOM 0 HA ASP A 64 0.013 -10.188 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.386 -10.192 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.310 -8.448 -1.156 1.00 0.00 H new ATOM 994 N ALA A 65 0.153 -7.109 -0.802 1.00 0.00 N ATOM 995 CA ALA A 65 0.837 -5.836 -1.006 1.00 0.00 C ATOM 996 C ALA A 65 2.340 -6.077 -1.163 1.00 0.00 C ATOM 997 O ALA A 65 2.947 -5.620 -2.134 1.00 0.00 O ATOM 998 CB ALA A 65 0.553 -4.888 0.153 1.00 0.00 C ATOM 0 H ALA A 65 -0.350 -7.184 0.082 1.00 0.00 H new ATOM 0 HA ALA A 65 0.463 -5.370 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.070 -3.943 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.520 -4.707 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.905 -5.335 1.083 1.00 0.00 H new ATOM 1004 N GLU A 66 2.933 -6.831 -0.237 1.00 0.00 N ATOM 1005 CA GLU A 66 4.318 -7.240 -0.265 1.00 0.00 C ATOM 1006 C GLU A 66 4.665 -7.985 -1.562 1.00 0.00 C ATOM 1007 O GLU A 66 5.770 -7.817 -2.076 1.00 0.00 O ATOM 1008 CB GLU A 66 4.515 -8.116 0.967 1.00 0.00 C ATOM 1009 CG GLU A 66 5.977 -8.361 1.312 1.00 0.00 C ATOM 1010 CD GLU A 66 6.022 -9.531 2.289 1.00 0.00 C ATOM 1011 OE1 GLU A 66 6.358 -10.645 1.833 1.00 0.00 O ATOM 1012 OE2 GLU A 66 5.560 -9.384 3.442 1.00 0.00 O ATOM 0 H GLU A 66 2.434 -7.182 0.580 1.00 0.00 H new ATOM 0 HA GLU A 66 4.987 -6.380 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.023 -7.647 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.023 -9.075 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.551 -8.588 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.421 -7.471 1.758 1.00 0.00 H new ATOM 1020 N GLU A 67 3.733 -8.761 -2.131 1.00 0.00 N ATOM 1021 CA GLU A 67 3.892 -9.456 -3.400 1.00 0.00 C ATOM 1022 C GLU A 67 4.174 -8.435 -4.501 1.00 0.00 C ATOM 1023 O GLU A 67 5.173 -8.532 -5.206 1.00 0.00 O ATOM 1024 CB GLU A 67 2.646 -10.315 -3.708 1.00 0.00 C ATOM 1025 CG GLU A 67 2.823 -11.245 -4.909 1.00 0.00 C ATOM 1026 CD GLU A 67 3.554 -12.532 -4.529 1.00 0.00 C ATOM 1027 OE1 GLU A 67 4.769 -12.476 -4.237 1.00 0.00 O ATOM 1028 OE2 GLU A 67 2.920 -13.612 -4.511 1.00 0.00 O ATOM 0 H GLU A 67 2.822 -8.923 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 67 4.740 -10.139 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.401 -10.912 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.797 -9.656 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.846 -11.491 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.380 -10.728 -5.690 1.00 0.00 H new ATOM 1036 N ALA A 68 3.339 -7.402 -4.609 1.00 0.00 N ATOM 1037 CA ALA A 68 3.481 -6.387 -5.648 1.00 0.00 C ATOM 1038 C ALA A 68 4.803 -5.664 -5.478 1.00 0.00 C ATOM 1039 O ALA A 68 5.493 -5.389 -6.462 1.00 0.00 O ATOM 1040 CB ALA A 68 2.346 -5.366 -5.593 1.00 0.00 C ATOM 0 H ALA A 68 2.550 -7.247 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 68 3.446 -6.892 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.484 -4.625 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.392 -5.874 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.350 -4.869 -4.623 1.00 0.00 H new ATOM 1046 N ILE A 69 5.144 -5.363 -4.226 1.00 0.00 N ATOM 1047 CA ILE A 69 6.366 -4.693 -3.846 1.00 0.00 C ATOM 1048 C ILE A 69 7.583 -5.534 -4.245 1.00 0.00 C ATOM 1049 O ILE A 69 8.514 -4.986 -4.823 1.00 0.00 O ATOM 1050 CB ILE A 69 6.308 -4.323 -2.349 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.245 -3.223 -2.116 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.681 -3.847 -1.872 1.00 0.00 C ATOM 1053 CD1 ILE A 69 5.008 -2.905 -0.633 1.00 0.00 C ATOM 0 H ILE A 69 4.550 -5.591 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 69 6.474 -3.754 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 69 6.028 -5.207 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.557 -2.313 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.304 -3.537 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.629 -3.588 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.412 -4.643 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.982 -2.970 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.251 -2.126 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.666 -3.803 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.938 -2.560 -0.182 1.00 0.00 H new ATOM 1065 N LYS A 70 7.617 -6.845 -3.992 1.00 0.00 N ATOM 1066 CA LYS A 70 8.765 -7.671 -4.373 1.00 0.00 C ATOM 1067 C LYS A 70 8.802 -7.967 -5.879 1.00 0.00 C ATOM 1068 O LYS A 70 9.791 -8.533 -6.343 1.00 0.00 O ATOM 1069 CB LYS A 70 8.867 -8.926 -3.483 1.00 0.00 C ATOM 1070 CG LYS A 70 7.826 -10.011 -3.797 1.00 0.00 C ATOM 1071 CD LYS A 70 7.791 -11.165 -2.785 1.00 0.00 C ATOM 1072 CE LYS A 70 7.221 -10.707 -1.434 1.00 0.00 C ATOM 1073 NZ LYS A 70 6.830 -11.838 -0.565 1.00 0.00 N ATOM 0 H LYS A 70 6.866 -7.355 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 70 9.670 -7.093 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.864 -9.353 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.760 -8.627 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.839 -9.550 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.030 -10.418 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.184 -11.980 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.798 -11.557 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.964 -10.099 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.353 -10.071 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.597 -11.482 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.999 -12.315 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.618 -12.513 -0.498 1.00 0.00 H new ATOM 1087 N LYS A 71 7.784 -7.574 -6.656 1.00 0.00 N ATOM 1088 CA LYS A 71 7.693 -7.764 -8.101 1.00 0.00 C ATOM 1089 C LYS A 71 8.167 -6.520 -8.854 1.00 0.00 C ATOM 1090 O LYS A 71 7.702 -6.255 -9.961 1.00 0.00 O ATOM 1091 CB LYS A 71 6.243 -8.129 -8.452 1.00 0.00 C ATOM 1092 CG LYS A 71 5.846 -9.505 -7.899 1.00 0.00 C ATOM 1093 CD LYS A 71 5.731 -10.555 -8.994 1.00 0.00 C ATOM 1094 CE LYS A 71 4.474 -10.318 -9.828 1.00 0.00 C ATOM 1095 NZ LYS A 71 3.239 -10.691 -9.118 1.00 0.00 N ATOM 0 H LYS A 71 6.969 -7.095 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 71 8.351 -8.576 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.571 -7.370 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.120 -8.124 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.586 -9.827 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.893 -9.423 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.612 -10.520 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.699 -11.550 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.423 -9.266 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.543 -10.891 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.444 -10.704 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.353 -11.635 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.047 -9.997 -8.367 1.00 0.00 H new ATOM 1109 N ILE A 72 8.987 -5.678 -8.221 1.00 0.00 N ATOM 1110 CA ILE A 72 9.433 -4.402 -8.782 1.00 0.00 C ATOM 1111 C ILE A 72 10.811 -4.556 -9.459 1.00 0.00 C ATOM 1112 O ILE A 72 11.314 -3.595 -10.036 1.00 0.00 O ATOM 1113 CB ILE A 72 9.316 -3.302 -7.694 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.832 -3.186 -7.283 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.836 -1.917 -8.110 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.539 -2.119 -6.224 1.00 0.00 C ATOM 0 H ILE A 72 9.364 -5.866 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 72 8.787 -4.071 -9.595 1.00 0.00 H new ATOM 0 HB ILE A 72 9.956 -3.615 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.240 -2.968 -8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.497 -4.153 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.711 -1.218 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.892 -1.988 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.274 -1.562 -8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.472 -2.112 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.099 -2.344 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.837 -1.141 -6.601 1.00 0.00 H new ATOM 1128 N GLU A 73 11.404 -5.758 -9.435 1.00 0.00 N ATOM 1129 CA GLU A 73 12.661 -6.111 -10.095 1.00 0.00 C ATOM 1130 C GLU A 73 13.771 -5.064 -9.897 1.00 0.00 C ATOM 1131 O GLU A 73 14.321 -4.502 -10.844 1.00 0.00 O ATOM 1132 CB GLU A 73 12.374 -6.467 -11.564 1.00 0.00 C ATOM 1133 CG GLU A 73 13.392 -7.490 -12.065 1.00 0.00 C ATOM 1134 CD GLU A 73 13.066 -7.954 -13.481 1.00 0.00 C ATOM 1135 OE1 GLU A 73 12.386 -8.985 -13.648 1.00 0.00 O ATOM 1136 OE2 GLU A 73 13.510 -7.296 -14.453 1.00 0.00 O ATOM 0 H GLU A 73 10.998 -6.545 -8.930 1.00 0.00 H new ATOM 0 HA GLU A 73 13.077 -6.996 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.366 -6.870 -11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.417 -5.568 -12.179 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.390 -7.052 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.407 -8.349 -11.394 1.00 0.00 H new ATOM 1144 N GLY A 74 14.081 -4.787 -8.631 1.00 0.00 N ATOM 1145 CA GLY A 74 15.010 -3.746 -8.208 1.00 0.00 C ATOM 1146 C GLY A 74 15.059 -3.682 -6.688 1.00 0.00 C ATOM 1147 O GLY A 74 16.127 -3.571 -6.099 1.00 0.00 O ATOM 0 H GLY A 74 13.677 -5.300 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.004 -3.951 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.698 -2.783 -8.611 1.00 0.00 H new ATOM 1151 N VAL A 75 13.877 -3.817 -6.092 1.00 0.00 N ATOM 1152 CA VAL A 75 13.433 -4.056 -4.720 1.00 0.00 C ATOM 1153 C VAL A 75 14.179 -5.141 -3.937 1.00 0.00 C ATOM 1154 O VAL A 75 13.668 -6.183 -3.543 1.00 0.00 O ATOM 1155 CB VAL A 75 11.922 -4.234 -4.768 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.604 -5.521 -5.533 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.327 -4.176 -3.364 1.00 0.00 C ATOM 0 H VAL A 75 13.049 -3.746 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 75 13.698 -3.187 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 75 11.450 -3.414 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.524 -5.662 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.001 -5.450 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.061 -6.369 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.246 -4.305 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.756 -4.971 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.553 -3.210 -2.913 1.00 0.00 H new ATOM 1167 N ASN A 76 15.454 -4.881 -3.752 1.00 0.00 N ATOM 1168 CA ASN A 76 16.417 -5.717 -3.062 1.00 0.00 C ATOM 1169 C ASN A 76 15.877 -6.251 -1.730 1.00 0.00 C ATOM 1170 O ASN A 76 15.833 -7.458 -1.492 1.00 0.00 O ATOM 1171 CB ASN A 76 17.592 -4.796 -2.819 1.00 0.00 C ATOM 1172 CG ASN A 76 18.679 -5.429 -1.972 1.00 0.00 C ATOM 1173 OD1 ASN A 76 19.288 -6.423 -2.361 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.974 -4.835 -0.834 1.00 0.00 N ATOM 0 H ASN A 76 15.876 -4.021 -4.103 1.00 0.00 H new ATOM 0 HA ASN A 76 16.670 -6.601 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 76 18.015 -4.496 -3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.239 -3.889 -2.328 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.726 -5.199 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.450 -4.011 -0.538 1.00 0.00 H new ATOM 1181 N ASN A 77 15.429 -5.345 -0.873 1.00 0.00 N ATOM 1182 CA ASN A 77 14.805 -5.651 0.409 1.00 0.00 C ATOM 1183 C ASN A 77 13.507 -4.871 0.590 1.00 0.00 C ATOM 1184 O ASN A 77 13.247 -3.915 -0.148 1.00 0.00 O ATOM 1185 CB ASN A 77 15.766 -5.273 1.518 1.00 0.00 C ATOM 1186 CG ASN A 77 15.253 -5.689 2.886 1.00 0.00 C ATOM 1187 OD1 ASN A 77 14.688 -6.761 3.062 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.378 -4.795 3.839 1.00 0.00 N ATOM 0 H ASN A 77 15.491 -4.343 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 77 14.574 -6.716 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.732 -5.743 1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.928 -4.195 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.997 -4.982 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.856 -3.914 3.652 1.00 0.00 H new ATOM 1195 N VAL A 78 12.697 -5.284 1.566 1.00 0.00 N ATOM 1196 CA VAL A 78 11.295 -4.954 1.678 1.00 0.00 C ATOM 1197 C VAL A 78 11.008 -4.707 3.156 1.00 0.00 C ATOM 1198 O VAL A 78 10.960 -5.652 3.943 1.00 0.00 O ATOM 1199 CB VAL A 78 10.449 -6.098 1.053 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.980 -5.693 0.926 1.00 0.00 C ATOM 1201 CG2 VAL A 78 11.028 -6.494 -0.315 1.00 0.00 C ATOM 0 H VAL A 78 13.023 -5.881 2.326 1.00 0.00 H new ATOM 0 HA VAL A 78 11.027 -4.052 1.128 1.00 0.00 H new ATOM 0 HB VAL A 78 10.495 -6.962 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.413 -6.513 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.579 -5.464 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.899 -4.813 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.429 -7.296 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.011 -5.631 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.056 -6.836 -0.190 1.00 0.00 H new ATOM 1211 N GLU A 79 10.885 -3.440 3.547 1.00 0.00 N ATOM 1212 CA GLU A 79 10.819 -3.002 4.930 1.00 0.00 C ATOM 1213 C GLU A 79 9.373 -2.546 5.161 1.00 0.00 C ATOM 1214 O GLU A 79 9.080 -1.365 5.364 1.00 0.00 O ATOM 1215 CB GLU A 79 11.854 -1.884 5.126 1.00 0.00 C ATOM 1216 CG GLU A 79 13.315 -2.255 4.841 1.00 0.00 C ATOM 1217 CD GLU A 79 14.020 -2.827 6.068 1.00 0.00 C ATOM 1218 OE1 GLU A 79 14.096 -4.066 6.203 1.00 0.00 O ATOM 1219 OE2 GLU A 79 14.553 -2.025 6.872 1.00 0.00 O ATOM 0 H GLU A 79 10.827 -2.668 2.883 1.00 0.00 H new ATOM 0 HA GLU A 79 11.059 -3.780 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.581 -1.048 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.785 -1.530 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.351 -2.984 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.851 -1.371 4.497 1.00 0.00 H new ATOM 1227 N VAL A 80 8.431 -3.485 5.057 1.00 0.00 N ATOM 1228 CA VAL A 80 7.006 -3.219 5.204 1.00 0.00 C ATOM 1229 C VAL A 80 6.693 -3.140 6.706 1.00 0.00 C ATOM 1230 O VAL A 80 6.481 -4.156 7.368 1.00 0.00 O ATOM 1231 CB VAL A 80 6.183 -4.272 4.419 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.681 -4.237 4.725 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.334 -4.043 2.903 1.00 0.00 C ATOM 0 H VAL A 80 8.643 -4.464 4.866 1.00 0.00 H new ATOM 0 HA VAL A 80 6.719 -2.263 4.767 1.00 0.00 H new ATOM 0 HB VAL A 80 6.581 -5.237 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.172 -5.002 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.521 -4.428 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.280 -3.256 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.751 -4.789 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.974 -3.046 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.384 -4.131 2.624 1.00 0.00 H new ATOM 1243 N GLU A 81 6.613 -1.912 7.228 1.00 0.00 N ATOM 1244 CA GLU A 81 6.135 -1.651 8.583 1.00 0.00 C ATOM 1245 C GLU A 81 4.603 -1.735 8.557 1.00 0.00 C ATOM 1246 O GLU A 81 3.997 -1.572 7.492 1.00 0.00 O ATOM 1247 CB GLU A 81 6.587 -0.229 9.003 1.00 0.00 C ATOM 1248 CG GLU A 81 7.657 -0.236 10.109 1.00 0.00 C ATOM 1249 CD GLU A 81 8.666 0.913 9.965 1.00 0.00 C ATOM 1250 OE1 GLU A 81 9.531 0.854 9.059 1.00 0.00 O ATOM 1251 OE2 GLU A 81 8.623 1.869 10.774 1.00 0.00 O ATOM 0 H GLU A 81 6.880 -1.070 6.718 1.00 0.00 H new ATOM 0 HA GLU A 81 6.536 -2.373 9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.979 0.293 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.720 0.334 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.169 -0.166 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.190 -1.187 10.087 1.00 0.00 H new ATOM 1259 N LEU A 82 3.946 -1.921 9.701 1.00 0.00 N ATOM 1260 CA LEU A 82 2.493 -1.942 9.842 1.00 0.00 C ATOM 1261 C LEU A 82 2.135 -1.065 11.040 1.00 0.00 C ATOM 1262 O LEU A 82 2.060 -1.511 12.187 1.00 0.00 O ATOM 1263 CB LEU A 82 2.007 -3.393 9.953 1.00 0.00 C ATOM 1264 CG LEU A 82 0.490 -3.559 10.124 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.350 -2.721 9.150 1.00 0.00 C ATOM 1266 CD2 LEU A 82 0.164 -5.043 9.930 1.00 0.00 C ATOM 0 H LEU A 82 4.430 -2.066 10.587 1.00 0.00 H new ATOM 0 HA LEU A 82 1.984 -1.532 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.318 -3.934 9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.506 -3.864 10.800 1.00 0.00 H new ATOM 0 HG LEU A 82 0.230 -3.200 11.120 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.409 -2.897 9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.127 -1.664 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.112 -3.006 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.909 -5.198 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.471 -5.355 8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.698 -5.633 10.675 1.00 0.00 H new ATOM 1278 N THR A 83 2.009 0.226 10.759 1.00 0.00 N ATOM 1279 CA THR A 83 1.764 1.291 11.710 1.00 0.00 C ATOM 1280 C THR A 83 0.262 1.373 11.939 1.00 0.00 C ATOM 1281 O THR A 83 -0.452 2.014 11.170 1.00 0.00 O ATOM 1282 CB THR A 83 2.338 2.583 11.120 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.711 2.401 10.830 1.00 0.00 O ATOM 1284 CG2 THR A 83 2.206 3.794 12.033 1.00 0.00 C ATOM 0 H THR A 83 2.080 0.573 9.802 1.00 0.00 H new ATOM 0 HA THR A 83 2.243 1.116 12.673 1.00 0.00 H new ATOM 0 HB THR A 83 1.753 2.786 10.223 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.180 3.257 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.636 4.668 11.543 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.152 3.978 12.244 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.735 3.605 12.967 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.231 0.680 12.958 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.664 0.525 13.184 1.00 0.00 C ATOM 1294 C PHE A 84 -2.210 1.569 14.159 1.00 0.00 C ATOM 1295 O PHE A 84 -3.422 1.687 14.344 1.00 0.00 O ATOM 1296 CB PHE A 84 -1.933 -0.887 13.729 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.679 -1.772 12.759 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -3.863 -1.311 12.150 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.201 -3.063 12.477 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.545 -2.125 11.235 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -2.897 -3.884 11.578 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.063 -3.414 10.949 1.00 0.00 C ATOM 0 H PHE A 84 0.351 0.209 13.651 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.175 0.672 12.233 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.983 -1.358 13.982 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.506 -0.809 14.653 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.245 -0.330 12.388 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.300 -3.422 12.952 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.439 -1.762 10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.536 -4.880 11.368 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.588 -4.043 10.246 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.299 2.301 14.797 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.570 3.302 15.813 1.00 0.00 C ATOM 1314 C ASP A 85 -2.550 4.357 15.287 1.00 0.00 C ATOM 1315 O ASP A 85 -3.549 4.597 15.967 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.257 4.007 16.173 1.00 0.00 C ATOM 1317 CG ASP A 85 0.364 3.572 17.496 1.00 0.00 C ATOM 1318 OD1 ASP A 85 0.598 4.473 18.333 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.751 2.384 17.611 1.00 0.00 O ATOM 0 H ASP A 85 -0.302 2.203 14.605 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.004 2.809 16.682 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.464 3.831 15.375 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.436 5.082 16.209 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.275 5.035 14.149 1.00 0.00 N ATOM 1326 CA PRO A 86 -3.017 6.221 13.777 1.00 0.00 C ATOM 1327 C PRO A 86 -4.359 5.876 13.124 1.00 0.00 C ATOM 1328 O PRO A 86 -4.522 4.796 12.549 1.00 0.00 O ATOM 1329 CB PRO A 86 -2.122 6.980 12.796 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.391 5.853 12.078 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.173 4.853 13.208 1.00 0.00 C ATOM 0 HA PRO A 86 -3.258 6.817 14.658 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.703 7.591 12.106 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.432 7.649 13.310 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.986 5.431 11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.450 6.189 11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.157 3.833 12.824 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.214 5.025 13.697 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.322 6.807 13.137 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.604 6.622 12.484 1.00 0.00 C ATOM 1341 C PRO A 87 -6.449 6.886 10.983 1.00 0.00 C ATOM 1342 O PRO A 87 -6.265 8.047 10.610 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.512 7.629 13.188 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.592 8.779 13.606 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.240 8.095 13.811 1.00 0.00 C ATOM 0 HA PRO A 87 -7.014 5.615 12.556 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.302 7.979 12.523 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.000 7.181 14.054 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.539 9.551 12.838 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.941 9.261 14.519 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.433 8.699 13.397 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.028 7.965 14.872 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.520 5.846 10.141 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.178 5.847 8.706 1.00 0.00 C ATOM 1355 C TRP A 88 -6.717 7.086 7.959 1.00 0.00 C ATOM 1356 O TRP A 88 -5.993 8.080 7.876 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.517 4.485 8.068 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.791 4.503 6.592 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.956 4.906 5.605 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.062 4.242 5.945 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.627 4.881 4.393 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.929 4.481 4.551 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.337 3.889 6.424 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.001 4.340 3.665 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.420 3.721 5.542 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.246 3.957 4.167 1.00 0.00 C ATOM 0 H TRP A 88 -6.835 4.929 10.457 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.098 5.957 8.605 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.689 3.801 8.256 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.390 4.075 8.575 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.926 5.201 5.741 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.206 5.129 3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.486 3.745 7.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.868 4.524 2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.383 3.411 5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.082 3.841 3.494 1.00 0.00 H new ATOM 1377 N THR A 89 -7.949 7.036 7.421 1.00 0.00 N ATOM 1378 CA THR A 89 -8.918 8.085 7.066 1.00 0.00 C ATOM 1379 C THR A 89 -9.893 7.515 6.005 1.00 0.00 C ATOM 1380 O THR A 89 -9.485 7.346 4.858 1.00 0.00 O ATOM 1381 CB THR A 89 -8.287 9.430 6.645 1.00 0.00 C ATOM 1382 OG1 THR A 89 -7.599 10.033 7.721 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.326 10.458 6.205 1.00 0.00 C ATOM 0 H THR A 89 -8.342 6.123 7.193 1.00 0.00 H new ATOM 0 HA THR A 89 -9.470 8.349 7.968 1.00 0.00 H new ATOM 0 HB THR A 89 -7.621 9.176 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.732 9.592 7.843 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.825 11.383 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.883 10.070 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.013 10.656 7.028 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.184 7.266 6.298 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.134 6.661 5.353 1.00 0.00 C ATOM 1393 C PRO A 90 -12.390 7.470 4.085 1.00 0.00 C ATOM 1394 O PRO A 90 -12.815 6.889 3.082 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.411 6.401 6.159 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.330 7.396 7.308 1.00 0.00 C ATOM 1397 CD PRO A 90 -11.836 7.529 7.569 1.00 0.00 C ATOM 0 HA PRO A 90 -11.711 5.741 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.304 6.561 5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.452 5.374 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.776 8.354 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.859 7.033 8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.591 8.526 7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.508 6.821 8.330 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.093 8.770 4.085 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.301 9.629 2.926 1.00 0.00 C ATOM 1407 C GLU A 91 -11.122 9.623 1.942 1.00 0.00 C ATOM 1408 O GLU A 91 -11.147 10.341 0.940 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.710 11.034 3.353 1.00 0.00 C ATOM 1410 CG GLU A 91 -11.658 11.785 4.160 1.00 0.00 C ATOM 1411 CD GLU A 91 -11.868 13.282 3.986 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -12.681 13.885 4.724 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -11.285 13.835 3.034 1.00 0.00 O ATOM 0 H GLU A 91 -11.701 9.255 4.892 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.132 9.204 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.948 11.615 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.623 10.968 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.730 11.516 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.659 11.505 3.827 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.068 8.850 2.218 1.00 0.00 N ATOM 1422 CA ARG A 92 -8.934 8.658 1.309 1.00 0.00 C ATOM 1423 C ARG A 92 -9.349 8.049 -0.027 1.00 0.00 C ATOM 1424 O ARG A 92 -8.696 8.297 -1.037 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.924 7.729 1.986 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.214 8.394 3.164 1.00 0.00 C ATOM 1427 CD ARG A 92 -6.021 9.216 2.658 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.595 10.249 3.615 1.00 0.00 N ATOM 1429 CZ ARG A 92 -6.115 11.474 3.769 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -7.204 11.844 3.094 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -5.543 12.324 4.615 1.00 0.00 N ATOM 0 H ARG A 92 -9.977 8.332 3.092 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.503 9.637 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.437 6.833 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.183 7.408 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.909 9.039 3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.872 7.636 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.184 8.547 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.286 9.690 1.713 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.818 10.006 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.652 11.191 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.589 12.780 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.715 12.042 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.931 13.259 4.739 1.00 0.00 H new ATOM 1445 N MET A 93 -10.399 7.232 -0.003 1.00 0.00 N ATOM 1446 CA MET A 93 -10.987 6.564 -1.156 1.00 0.00 C ATOM 1447 C MET A 93 -11.554 7.587 -2.148 1.00 0.00 C ATOM 1448 O MET A 93 -11.721 8.764 -1.803 1.00 0.00 O ATOM 1449 CB MET A 93 -12.104 5.641 -0.651 1.00 0.00 C ATOM 1450 CG MET A 93 -11.609 4.661 0.426 1.00 0.00 C ATOM 1451 SD MET A 93 -12.817 3.428 0.993 1.00 0.00 S ATOM 1452 CE MET A 93 -14.371 4.375 0.997 1.00 0.00 C ATOM 0 H MET A 93 -10.885 7.008 0.865 1.00 0.00 H new ATOM 0 HA MET A 93 -10.223 5.987 -1.678 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.915 6.245 -0.244 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.515 5.079 -1.490 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.737 4.135 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.275 5.238 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.155 3.786 1.474 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.229 5.305 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.661 4.602 -0.029 1.00 0.00 H new ATOM 1462 N SER A 94 -11.934 7.137 -3.352 1.00 0.00 N ATOM 1463 CA SER A 94 -12.657 8.005 -4.276 1.00 0.00 C ATOM 1464 C SER A 94 -13.907 8.570 -3.587 1.00 0.00 C ATOM 1465 O SER A 94 -14.577 7.848 -2.844 1.00 0.00 O ATOM 1466 CB SER A 94 -13.103 7.266 -5.543 1.00 0.00 C ATOM 1467 OG SER A 94 -11.996 6.908 -6.345 1.00 0.00 O ATOM 0 H SER A 94 -11.755 6.195 -3.699 1.00 0.00 H new ATOM 0 HA SER A 94 -11.971 8.802 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.660 6.370 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.781 7.899 -6.116 1.00 0.00 H new ATOM 0 HG SER A 94 -12.310 6.437 -7.145 1.00 0.00 H new ATOM 1473 N PRO A 95 -14.274 9.824 -3.875 1.00 0.00 N ATOM 1474 CA PRO A 95 -15.450 10.452 -3.286 1.00 0.00 C ATOM 1475 C PRO A 95 -16.754 9.763 -3.718 1.00 0.00 C ATOM 1476 O PRO A 95 -17.673 9.608 -2.917 1.00 0.00 O ATOM 1477 CB PRO A 95 -15.340 11.916 -3.708 1.00 0.00 C ATOM 1478 CG PRO A 95 -14.550 11.881 -5.012 1.00 0.00 C ATOM 1479 CD PRO A 95 -13.571 10.746 -4.758 1.00 0.00 C ATOM 0 HA PRO A 95 -15.484 10.363 -2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.324 12.362 -3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.829 12.510 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.190 11.683 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.040 12.825 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.284 10.258 -5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.655 11.113 -4.295 1.00 0.00 H new ATOM 1487 N GLU A 96 -16.769 9.180 -4.919 1.00 0.00 N ATOM 1488 CA GLU A 96 -17.817 8.321 -5.457 1.00 0.00 C ATOM 1489 C GLU A 96 -18.097 7.150 -4.516 1.00 0.00 C ATOM 1490 O GLU A 96 -19.213 6.644 -4.445 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.317 7.799 -6.820 1.00 0.00 C ATOM 1492 CG GLU A 96 -17.817 8.641 -8.000 1.00 0.00 C ATOM 1493 CD GLU A 96 -19.144 8.120 -8.565 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -19.274 8.118 -9.813 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -19.995 7.628 -7.793 1.00 0.00 O ATOM 0 H GLU A 96 -16.001 9.305 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.747 8.879 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.227 7.790 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.645 6.768 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.942 9.675 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.064 8.641 -8.788 1.00 0.00 H new ATOM 1503 N LEU A 97 -17.086 6.715 -3.761 1.00 0.00 N ATOM 1504 CA LEU A 97 -17.219 5.559 -2.901 1.00 0.00 C ATOM 1505 C LEU A 97 -17.615 5.944 -1.486 1.00 0.00 C ATOM 1506 O LEU A 97 -18.108 5.091 -0.757 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.941 4.722 -2.916 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.647 4.144 -4.309 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -14.277 3.495 -4.255 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.688 3.105 -4.741 1.00 0.00 C ATOM 0 H LEU A 97 -16.166 7.155 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 97 -18.029 4.947 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.101 5.338 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.033 3.907 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.683 4.952 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.036 3.073 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.530 4.243 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.279 2.702 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.435 2.727 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.696 2.280 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.674 3.568 -4.770 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.455 7.209 -1.094 1.00 0.00 N ATOM 1523 CA ARG A 98 -18.045 7.719 0.142 1.00 0.00 C ATOM 1524 C ARG A 98 -19.559 7.792 -0.032 1.00 0.00 C ATOM 1525 O ARG A 98 -20.295 7.427 0.886 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.479 9.105 0.464 1.00 0.00 C ATOM 1527 CG ARG A 98 -15.975 9.080 0.771 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.392 10.494 0.769 1.00 0.00 C ATOM 1529 NE ARG A 98 -15.949 11.344 1.830 1.00 0.00 N ATOM 1530 CZ ARG A 98 -15.524 12.571 2.138 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -14.533 13.147 1.455 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -16.100 13.199 3.149 1.00 0.00 N ATOM 0 H ARG A 98 -16.919 7.901 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.803 7.052 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.661 9.771 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.012 9.520 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.806 8.614 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.459 8.469 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.310 10.436 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.582 10.958 -0.199 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.723 10.966 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.088 12.649 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.220 14.086 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.849 12.745 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.795 14.138 3.407 1.00 0.00 H new ATOM 1546 N GLU A 99 -20.006 8.206 -1.217 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.398 8.145 -1.637 1.00 0.00 C ATOM 1548 C GLU A 99 -21.863 6.687 -1.661 1.00 0.00 C ATOM 1549 O GLU A 99 -22.910 6.369 -1.096 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.536 8.788 -3.023 1.00 0.00 C ATOM 1551 CG GLU A 99 -21.264 10.294 -3.031 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.538 11.084 -2.769 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -23.271 11.354 -3.749 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -22.820 11.455 -1.610 1.00 0.00 O ATOM 0 H GLU A 99 -19.391 8.603 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.025 8.693 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.846 8.299 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.543 8.607 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.520 10.536 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.844 10.585 -3.994 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.104 5.788 -2.309 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.485 4.380 -2.438 1.00 0.00 C ATOM 1564 C LYS A 100 -21.606 3.704 -1.071 1.00 0.00 C ATOM 1565 O LYS A 100 -22.689 3.232 -0.729 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.520 3.603 -3.360 1.00 0.00 C ATOM 1567 CG LYS A 100 -21.213 2.310 -3.817 1.00 0.00 C ATOM 1568 CD LYS A 100 -20.308 1.289 -4.511 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.707 0.287 -3.527 1.00 0.00 C ATOM 1570 NZ LYS A 100 -19.092 -0.853 -4.233 1.00 0.00 N ATOM 0 H LYS A 100 -20.216 6.019 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.469 4.360 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.248 4.212 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.596 3.370 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.668 1.835 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -22.023 2.573 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -20.881 0.753 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.505 1.812 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.957 0.784 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.484 -0.075 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.692 -1.517 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.814 -1.340 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.335 -0.507 -4.857 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.502 3.606 -0.326 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.473 2.856 0.921 1.00 0.00 C ATOM 1586 C PHE A 101 -21.363 3.537 1.965 1.00 0.00 C ATOM 1587 O PHE A 101 -22.057 2.855 2.722 1.00 0.00 O ATOM 1588 CB PHE A 101 -19.024 2.702 1.423 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.210 1.612 0.732 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.869 1.704 -0.634 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.798 0.475 1.457 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.161 0.664 -1.268 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -17.062 -0.548 0.832 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.743 -0.457 -0.533 1.00 0.00 C ATOM 0 H PHE A 101 -19.613 4.042 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.868 1.855 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.509 3.654 1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -19.047 2.493 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.153 2.580 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -18.050 0.389 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -16.939 0.729 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -16.741 -1.406 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 101 -16.180 -1.244 -1.014 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.385 4.871 2.023 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.041 5.602 3.095 1.00 0.00 C ATOM 1606 C GLY A 102 -20.978 5.917 4.135 1.00 0.00 C ATOM 1607 O GLY A 102 -20.770 5.164 5.090 1.00 0.00 O ATOM 0 H GLY A 102 -20.946 5.470 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.493 6.519 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.844 5.008 3.532 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.259 7.007 3.896 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.352 7.635 4.836 1.00 0.00 C ATOM 1613 C VAL A 103 -20.025 8.953 5.153 1.00 0.00 C ATOM 1614 O VAL A 103 -20.256 9.752 4.212 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.946 7.760 4.214 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.957 8.412 5.184 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.381 6.389 3.803 1.00 0.00 C ATOM 0 H VAL A 103 -20.297 7.495 3.001 1.00 0.00 H new ATOM 0 HA VAL A 103 -19.179 7.071 5.752 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.063 8.387 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.977 8.483 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.308 9.411 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.881 7.807 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.390 6.519 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.311 5.746 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.041 5.929 3.068 1.00 0.00 H new