USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 794 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 37 SER OG : rot 118:sc= -0.0513 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -3.76! X(o=-3!,f=-2.7) USER MOD Set 1.3: A 87 TYR OH : rot -78:sc= 0.823 USER MOD Set 2.1: A 64 ASN : amide:sc= -3.43! K(o=-4.8!,f=-2) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -1.37 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN : amide:sc= -3.43! K(o=-4.4!,f=-1.5) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.49 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.65! C(o=-4.6!,f=-6.3!) USER MOD Single : A 32 SER OG : rot 37:sc= 0.0614 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 5:sc= 0.133 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.88 K(o=-0.88,f=-1.6!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.278 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -149:sc= -0.864 USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -0.0136 (180deg=-0.464) USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0175) USER MOD Single : A 104 THR OG1 : rot 73:sc= -0.798 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.127 38.272 0.941 1.00 0.00 N ATOM 2 CA GLY A 1 -6.481 37.970 0.515 1.00 0.00 C ATOM 3 C GLY A 1 -6.802 36.492 0.612 1.00 0.00 C ATOM 4 O GLY A 1 -7.747 36.097 1.294 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.956 39.294 0.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.002 37.981 1.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.451 37.757 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.186 38.533 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.617 38.302 -0.514 1.00 0.00 H new ATOM 8 N SER A 2 -6.013 35.670 -0.074 1.00 0.00 N ATOM 9 CA SER A 2 -6.222 34.228 -0.069 1.00 0.00 C ATOM 10 C SER A 2 -4.938 33.492 -0.442 1.00 0.00 C ATOM 11 O SER A 2 -4.497 33.535 -1.590 1.00 0.00 O ATOM 12 CB SER A 2 -7.342 33.848 -1.040 1.00 0.00 C ATOM 13 OG SER A 2 -7.072 34.334 -2.343 1.00 0.00 O ATOM 0 H SER A 2 -5.223 35.979 -0.640 1.00 0.00 H new ATOM 0 HA SER A 2 -6.511 33.932 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.451 32.764 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.289 34.255 -0.685 1.00 0.00 H new ATOM 0 HG SER A 2 -6.108 34.294 -2.514 1.00 0.00 H new ATOM 19 N SER A 3 -4.344 32.816 0.536 1.00 0.00 N ATOM 20 CA SER A 3 -3.110 32.073 0.313 1.00 0.00 C ATOM 21 C SER A 3 -3.388 30.763 -0.416 1.00 0.00 C ATOM 22 O SER A 3 -4.384 30.092 -0.152 1.00 0.00 O ATOM 23 CB SER A 3 -2.411 31.791 1.645 1.00 0.00 C ATOM 24 OG SER A 3 -3.181 30.912 2.448 1.00 0.00 O ATOM 0 H SER A 3 -4.698 32.768 1.491 1.00 0.00 H new ATOM 0 HA SER A 3 -2.456 32.683 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.430 31.354 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.247 32.727 2.179 1.00 0.00 H new ATOM 0 HG SER A 3 -2.713 30.746 3.293 1.00 0.00 H new ATOM 30 N GLY A 4 -2.498 30.405 -1.337 1.00 0.00 N ATOM 31 CA GLY A 4 -2.666 29.176 -2.092 1.00 0.00 C ATOM 32 C GLY A 4 -1.911 28.013 -1.480 1.00 0.00 C ATOM 33 O GLY A 4 -2.517 27.066 -0.981 1.00 0.00 O ATOM 0 H GLY A 4 -1.665 30.943 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.726 28.929 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.322 29.331 -3.114 1.00 0.00 H new ATOM 37 N SER A 5 -0.584 28.084 -1.520 1.00 0.00 N ATOM 38 CA SER A 5 0.255 27.025 -0.970 1.00 0.00 C ATOM 39 C SER A 5 1.368 27.608 -0.105 1.00 0.00 C ATOM 40 O SER A 5 2.438 27.958 -0.604 1.00 0.00 O ATOM 41 CB SER A 5 0.857 26.185 -2.097 1.00 0.00 C ATOM 42 OG SER A 5 1.538 25.054 -1.583 1.00 0.00 O ATOM 0 H SER A 5 -0.067 28.863 -1.927 1.00 0.00 H new ATOM 0 HA SER A 5 -0.371 26.387 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.067 25.861 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.547 26.795 -2.680 1.00 0.00 H new ATOM 0 HG SER A 5 1.912 24.533 -2.324 1.00 0.00 H new ATOM 48 N SER A 6 1.107 27.711 1.194 1.00 0.00 N ATOM 49 CA SER A 6 2.084 28.255 2.130 1.00 0.00 C ATOM 50 C SER A 6 2.996 27.155 2.664 1.00 0.00 C ATOM 51 O SER A 6 3.306 27.114 3.854 1.00 0.00 O ATOM 52 CB SER A 6 1.375 28.955 3.291 1.00 0.00 C ATOM 53 OG SER A 6 2.193 29.967 3.853 1.00 0.00 O ATOM 0 H SER A 6 0.227 27.425 1.623 1.00 0.00 H new ATOM 0 HA SER A 6 2.696 28.982 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.440 29.392 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.117 28.224 4.057 1.00 0.00 H new ATOM 0 HG SER A 6 1.716 30.400 4.592 1.00 0.00 H new ATOM 59 N GLY A 7 3.422 26.264 1.774 1.00 0.00 N ATOM 60 CA GLY A 7 4.294 25.175 2.175 1.00 0.00 C ATOM 61 C GLY A 7 3.725 24.370 3.326 1.00 0.00 C ATOM 62 O GLY A 7 4.332 24.284 4.394 1.00 0.00 O ATOM 0 H GLY A 7 3.179 26.277 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.462 24.516 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.265 25.578 2.463 1.00 0.00 H new ATOM 66 N VAL A 8 2.554 23.777 3.111 1.00 0.00 N ATOM 67 CA VAL A 8 1.902 22.976 4.140 1.00 0.00 C ATOM 68 C VAL A 8 1.723 21.533 3.681 1.00 0.00 C ATOM 69 O VAL A 8 1.527 21.267 2.494 1.00 0.00 O ATOM 70 CB VAL A 8 0.527 23.557 4.516 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.411 23.531 3.320 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.070 22.794 5.690 1.00 0.00 C ATOM 0 H VAL A 8 2.038 23.837 2.233 1.00 0.00 H new ATOM 0 HA VAL A 8 2.550 22.998 5.016 1.00 0.00 H new ATOM 0 HB VAL A 8 0.662 24.596 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.377 23.946 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.014 24.126 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.543 22.503 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.042 23.218 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.191 21.745 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.595 22.872 6.550 1.00 0.00 H new ATOM 82 N VAL A 9 1.792 20.604 4.628 1.00 0.00 N ATOM 83 CA VAL A 9 1.636 19.186 4.322 1.00 0.00 C ATOM 84 C VAL A 9 0.250 18.689 4.717 1.00 0.00 C ATOM 85 O VAL A 9 -0.253 19.011 5.794 1.00 0.00 O ATOM 86 CB VAL A 9 2.700 18.336 5.042 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.425 16.854 4.839 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.093 18.701 4.551 1.00 0.00 C ATOM 0 H VAL A 9 1.955 20.807 5.614 1.00 0.00 H new ATOM 0 HA VAL A 9 1.764 19.078 3.245 1.00 0.00 H new ATOM 0 HB VAL A 9 2.649 18.547 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.186 16.269 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.443 16.608 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.448 16.622 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.833 18.091 5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.160 18.519 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.285 19.755 4.753 1.00 0.00 H new ATOM 98 N ASP A 10 -0.362 17.901 3.839 1.00 0.00 N ATOM 99 CA ASP A 10 -1.689 17.355 4.098 1.00 0.00 C ATOM 100 C ASP A 10 -1.728 15.859 3.807 1.00 0.00 C ATOM 101 O ASP A 10 -1.893 15.427 2.666 1.00 0.00 O ATOM 102 CB ASP A 10 -2.735 18.080 3.248 1.00 0.00 C ATOM 103 CG ASP A 10 -2.946 19.515 3.690 1.00 0.00 C ATOM 104 OD1 ASP A 10 -2.158 20.387 3.267 1.00 0.00 O ATOM 105 OD2 ASP A 10 -3.897 19.766 4.458 1.00 0.00 O ATOM 0 H ASP A 10 0.040 17.626 2.942 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.918 17.507 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.423 18.067 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.681 17.542 3.305 1.00 0.00 H new ATOM 110 N PRO A 11 -1.572 15.046 4.862 1.00 0.00 N ATOM 111 CA PRO A 11 -1.585 13.584 4.745 1.00 0.00 C ATOM 112 C PRO A 11 -2.970 13.043 4.409 1.00 0.00 C ATOM 113 O PRO A 11 -3.150 11.837 4.237 1.00 0.00 O ATOM 114 CB PRO A 11 -1.150 13.114 6.135 1.00 0.00 C ATOM 115 CG PRO A 11 -1.531 14.226 7.049 1.00 0.00 C ATOM 116 CD PRO A 11 -1.372 15.491 6.252 1.00 0.00 C ATOM 0 HA PRO A 11 -0.939 13.233 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.649 12.185 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.077 12.923 6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.557 14.111 7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.894 14.240 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.105 16.244 6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.386 15.934 6.394 1.00 0.00 H new ATOM 124 N SER A 12 -3.946 13.941 4.316 1.00 0.00 N ATOM 125 CA SER A 12 -5.315 13.551 4.003 1.00 0.00 C ATOM 126 C SER A 12 -5.640 13.833 2.539 1.00 0.00 C ATOM 127 O SER A 12 -6.806 13.887 2.148 1.00 0.00 O ATOM 128 CB SER A 12 -6.300 14.295 4.908 1.00 0.00 C ATOM 129 OG SER A 12 -6.459 15.640 4.491 1.00 0.00 O ATOM 0 H SER A 12 -3.814 14.943 4.453 1.00 0.00 H new ATOM 0 HA SER A 12 -5.410 12.479 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.266 13.790 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.943 14.270 5.938 1.00 0.00 H new ATOM 0 HG SER A 12 -7.094 16.093 5.084 1.00 0.00 H new ATOM 135 N LYS A 13 -4.599 14.015 1.734 1.00 0.00 N ATOM 136 CA LYS A 13 -4.770 14.291 0.312 1.00 0.00 C ATOM 137 C LYS A 13 -4.077 13.229 -0.535 1.00 0.00 C ATOM 138 O LYS A 13 -4.219 13.206 -1.758 1.00 0.00 O ATOM 139 CB LYS A 13 -4.213 15.675 -0.030 1.00 0.00 C ATOM 140 CG LYS A 13 -4.747 16.783 0.862 1.00 0.00 C ATOM 141 CD LYS A 13 -6.014 17.395 0.292 1.00 0.00 C ATOM 142 CE LYS A 13 -7.256 16.673 0.793 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.494 17.465 0.550 1.00 0.00 N ATOM 0 H LYS A 13 -3.627 13.976 2.042 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.837 14.270 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.126 15.649 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.453 15.908 -1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.949 16.385 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.988 17.557 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.067 18.448 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.982 17.353 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.340 15.707 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.155 16.475 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.318 16.939 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.425 18.377 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.604 17.633 -0.470 1.00 0.00 H new ATOM 157 N VAL A 14 -3.328 12.349 0.122 1.00 0.00 N ATOM 158 CA VAL A 14 -2.616 11.283 -0.571 1.00 0.00 C ATOM 159 C VAL A 14 -3.520 10.076 -0.801 1.00 0.00 C ATOM 160 O VAL A 14 -4.154 9.576 0.127 1.00 0.00 O ATOM 161 CB VAL A 14 -1.371 10.834 0.217 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.711 10.637 1.687 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.792 9.561 -0.380 1.00 0.00 C ATOM 0 H VAL A 14 -3.199 12.354 1.134 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.302 11.687 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.616 11.617 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.819 10.320 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.074 11.576 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.484 9.874 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.087 9.259 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.539 8.768 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.508 9.742 -1.417 1.00 0.00 H new ATOM 173 N LYS A 15 -3.574 9.614 -2.045 1.00 0.00 N ATOM 174 CA LYS A 15 -4.398 8.464 -2.399 1.00 0.00 C ATOM 175 C LYS A 15 -3.561 7.379 -3.066 1.00 0.00 C ATOM 176 O LYS A 15 -2.411 7.611 -3.443 1.00 0.00 O ATOM 177 CB LYS A 15 -5.534 8.893 -3.331 1.00 0.00 C ATOM 178 CG LYS A 15 -6.399 10.006 -2.765 1.00 0.00 C ATOM 179 CD LYS A 15 -6.978 10.877 -3.866 1.00 0.00 C ATOM 180 CE LYS A 15 -8.103 10.168 -4.606 1.00 0.00 C ATOM 181 NZ LYS A 15 -8.364 10.781 -5.938 1.00 0.00 N ATOM 0 H LYS A 15 -3.057 10.018 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.823 8.057 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.110 9.221 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.163 8.029 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.209 9.575 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.806 10.620 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.353 11.806 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.191 11.146 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.847 9.116 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.012 10.204 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.137 10.270 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.633 11.778 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.505 10.724 -6.521 1.00 0.00 H new ATOM 195 N ILE A 16 -4.143 6.193 -3.211 1.00 0.00 N ATOM 196 CA ILE A 16 -3.451 5.073 -3.835 1.00 0.00 C ATOM 197 C ILE A 16 -4.415 4.212 -4.645 1.00 0.00 C ATOM 198 O ILE A 16 -5.508 3.887 -4.184 1.00 0.00 O ATOM 199 CB ILE A 16 -2.749 4.190 -2.787 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.780 3.374 -2.004 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.916 5.047 -1.845 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.169 2.502 -0.929 1.00 0.00 C ATOM 0 H ILE A 16 -5.093 5.983 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.701 5.499 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.082 3.499 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.497 4.054 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.337 2.745 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.426 4.409 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.162 5.588 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.563 5.759 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.957 1.952 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.473 1.797 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.636 3.127 -0.213 1.00 0.00 H new ATOM 214 N ALA A 17 -4.000 3.847 -5.854 1.00 0.00 N ATOM 215 CA ALA A 17 -4.827 3.020 -6.727 1.00 0.00 C ATOM 216 C ALA A 17 -3.976 2.018 -7.499 1.00 0.00 C ATOM 217 O ALA A 17 -2.966 2.380 -8.102 1.00 0.00 O ATOM 218 CB ALA A 17 -5.618 3.894 -7.687 1.00 0.00 C ATOM 0 H ALA A 17 -3.098 4.110 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.525 2.461 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.230 3.264 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.261 4.567 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.930 4.479 -8.298 1.00 0.00 H new ATOM 224 N GLY A 18 -4.389 0.754 -7.474 1.00 0.00 N ATOM 225 CA GLY A 18 -3.653 -0.281 -8.176 1.00 0.00 C ATOM 226 C GLY A 18 -4.212 -1.666 -7.917 1.00 0.00 C ATOM 227 O GLY A 18 -5.048 -1.867 -7.036 1.00 0.00 O ATOM 0 H GLY A 18 -5.220 0.429 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.677 -0.077 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.608 -0.251 -7.869 1.00 0.00 H new ATOM 231 N PRO A 19 -3.747 -2.652 -8.699 1.00 0.00 N ATOM 232 CA PRO A 19 -4.193 -4.042 -8.571 1.00 0.00 C ATOM 233 C PRO A 19 -3.694 -4.694 -7.285 1.00 0.00 C ATOM 234 O PRO A 19 -4.365 -5.550 -6.711 1.00 0.00 O ATOM 235 CB PRO A 19 -3.576 -4.728 -9.792 1.00 0.00 C ATOM 236 CG PRO A 19 -2.385 -3.898 -10.130 1.00 0.00 C ATOM 237 CD PRO A 19 -2.750 -2.484 -9.770 1.00 0.00 C ATOM 0 HA PRO A 19 -5.279 -4.119 -8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.292 -5.756 -9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.281 -4.767 -10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.508 -4.229 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.140 -3.980 -11.189 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.883 -1.920 -9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.163 -1.946 -10.623 1.00 0.00 H new ATOM 245 N GLY A 20 -2.512 -4.281 -6.838 1.00 0.00 N ATOM 246 CA GLY A 20 -1.943 -4.836 -5.623 1.00 0.00 C ATOM 247 C GLY A 20 -2.875 -4.704 -4.435 1.00 0.00 C ATOM 248 O GLY A 20 -3.036 -5.645 -3.656 1.00 0.00 O ATOM 0 H GLY A 20 -1.938 -3.572 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.709 -5.889 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.003 -4.331 -5.402 1.00 0.00 H new ATOM 252 N LEU A 21 -3.489 -3.534 -4.293 1.00 0.00 N ATOM 253 CA LEU A 21 -4.409 -3.283 -3.189 1.00 0.00 C ATOM 254 C LEU A 21 -5.769 -3.919 -3.458 1.00 0.00 C ATOM 255 O LEU A 21 -6.505 -4.251 -2.529 1.00 0.00 O ATOM 256 CB LEU A 21 -4.573 -1.777 -2.970 1.00 0.00 C ATOM 257 CG LEU A 21 -3.278 -0.965 -2.896 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.507 0.449 -3.405 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.744 -0.941 -1.472 1.00 0.00 C ATOM 0 H LEU A 21 -3.366 -2.745 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.990 -3.733 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.184 -1.377 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.129 -1.623 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.534 -1.443 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.576 1.012 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.843 0.413 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.266 0.937 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.823 -0.359 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.484 -0.487 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.542 -1.960 -1.142 1.00 0.00 H new ATOM 271 N GLY A 22 -6.096 -4.088 -4.735 1.00 0.00 N ATOM 272 CA GLY A 22 -7.366 -4.687 -5.103 1.00 0.00 C ATOM 273 C GLY A 22 -7.635 -5.979 -4.358 1.00 0.00 C ATOM 274 O GLY A 22 -6.769 -6.484 -3.644 1.00 0.00 O ATOM 0 H GLY A 22 -5.504 -3.821 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.170 -3.980 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.376 -4.881 -6.176 1.00 0.00 H new ATOM 278 N SER A 23 -8.841 -6.515 -4.522 1.00 0.00 N ATOM 279 CA SER A 23 -9.224 -7.754 -3.854 1.00 0.00 C ATOM 280 C SER A 23 -8.801 -8.967 -4.677 1.00 0.00 C ATOM 281 O SER A 23 -8.718 -10.081 -4.162 1.00 0.00 O ATOM 282 CB SER A 23 -10.735 -7.784 -3.618 1.00 0.00 C ATOM 283 OG SER A 23 -11.136 -6.741 -2.747 1.00 0.00 O ATOM 0 H SER A 23 -9.569 -6.111 -5.111 1.00 0.00 H new ATOM 0 HA SER A 23 -8.713 -7.794 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.257 -7.688 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.021 -8.746 -3.194 1.00 0.00 H new ATOM 0 HG SER A 23 -12.106 -6.781 -2.614 1.00 0.00 H new ATOM 289 N GLY A 24 -8.537 -8.741 -5.960 1.00 0.00 N ATOM 290 CA GLY A 24 -8.126 -9.824 -6.835 1.00 0.00 C ATOM 291 C GLY A 24 -6.643 -10.121 -6.734 1.00 0.00 C ATOM 292 O GLY A 24 -5.964 -10.285 -7.748 1.00 0.00 O ATOM 0 H GLY A 24 -8.600 -7.828 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.691 -10.722 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.373 -9.568 -7.865 1.00 0.00 H new ATOM 296 N VAL A 25 -6.137 -10.189 -5.506 1.00 0.00 N ATOM 297 CA VAL A 25 -4.724 -10.467 -5.276 1.00 0.00 C ATOM 298 C VAL A 25 -4.490 -11.953 -5.030 1.00 0.00 C ATOM 299 O VAL A 25 -5.299 -12.622 -4.386 1.00 0.00 O ATOM 300 CB VAL A 25 -4.183 -9.668 -4.076 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.688 -9.896 -3.913 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.491 -8.188 -4.240 1.00 0.00 C ATOM 0 H VAL A 25 -6.684 -10.055 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.190 -10.162 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.680 -10.021 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.323 -9.323 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.498 -10.956 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.170 -9.572 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.102 -7.638 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.023 -7.818 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.570 -8.046 -4.303 1.00 0.00 H new ATOM 312 N ARG A 26 -3.377 -12.465 -5.547 1.00 0.00 N ATOM 313 CA ARG A 26 -3.036 -13.873 -5.384 1.00 0.00 C ATOM 314 C ARG A 26 -1.732 -14.031 -4.609 1.00 0.00 C ATOM 315 O ARG A 26 -0.931 -13.100 -4.526 1.00 0.00 O ATOM 316 CB ARG A 26 -2.916 -14.552 -6.750 1.00 0.00 C ATOM 317 CG ARG A 26 -4.163 -14.419 -7.608 1.00 0.00 C ATOM 318 CD ARG A 26 -3.912 -14.889 -9.032 1.00 0.00 C ATOM 319 NE ARG A 26 -3.455 -13.802 -9.894 1.00 0.00 N ATOM 320 CZ ARG A 26 -2.913 -13.993 -11.092 1.00 0.00 C ATOM 321 NH1 ARG A 26 -2.762 -15.221 -11.567 1.00 0.00 N ATOM 322 NH2 ARG A 26 -2.522 -12.953 -11.817 1.00 0.00 N ATOM 0 H ARG A 26 -2.697 -11.925 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.835 -14.351 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.069 -14.124 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.698 -15.610 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.972 -15.002 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.489 -13.379 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.167 -15.684 -9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.829 -15.315 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.557 -12.844 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.062 -16.023 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.346 -15.364 -12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.637 -12.007 -11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.106 -13.100 -12.737 1.00 0.00 H new ATOM 336 N ALA A 27 -1.524 -15.216 -4.044 1.00 0.00 N ATOM 337 CA ALA A 27 -0.317 -15.495 -3.277 1.00 0.00 C ATOM 338 C ALA A 27 0.867 -15.771 -4.198 1.00 0.00 C ATOM 339 O ALA A 27 0.697 -16.284 -5.305 1.00 0.00 O ATOM 340 CB ALA A 27 -0.546 -16.672 -2.341 1.00 0.00 C ATOM 0 H ALA A 27 -2.176 -15.998 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.083 -14.613 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.364 -16.869 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.358 -16.437 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.809 -17.555 -2.924 1.00 0.00 H new ATOM 346 N ARG A 28 2.064 -15.429 -3.735 1.00 0.00 N ATOM 347 CA ARG A 28 3.276 -15.638 -4.519 1.00 0.00 C ATOM 348 C ARG A 28 3.165 -14.960 -5.882 1.00 0.00 C ATOM 349 O ARG A 28 3.721 -15.438 -6.871 1.00 0.00 O ATOM 350 CB ARG A 28 3.537 -17.134 -4.701 1.00 0.00 C ATOM 351 CG ARG A 28 3.824 -17.866 -3.400 1.00 0.00 C ATOM 352 CD ARG A 28 4.694 -19.091 -3.631 1.00 0.00 C ATOM 353 NE ARG A 28 3.901 -20.267 -3.981 1.00 0.00 N ATOM 354 CZ ARG A 28 3.324 -21.059 -3.085 1.00 0.00 C ATOM 355 NH1 ARG A 28 3.449 -20.801 -1.791 1.00 0.00 N ATOM 356 NH2 ARG A 28 2.618 -22.109 -3.483 1.00 0.00 N ATOM 0 H ARG A 28 2.221 -15.006 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 28 4.111 -15.193 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.671 -17.589 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.382 -17.267 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.321 -17.191 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.885 -18.167 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.407 -18.884 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.274 -19.299 -2.732 1.00 0.00 H new ATOM 0 HE ARG A 28 3.784 -20.492 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.989 -19.993 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.005 -21.411 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.518 -22.309 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.175 -22.717 -2.794 1.00 0.00 H new ATOM 370 N VAL A 29 2.444 -13.845 -5.925 1.00 0.00 N ATOM 371 CA VAL A 29 2.262 -13.101 -7.166 1.00 0.00 C ATOM 372 C VAL A 29 2.771 -11.669 -7.028 1.00 0.00 C ATOM 373 O VAL A 29 2.581 -11.028 -5.995 1.00 0.00 O ATOM 374 CB VAL A 29 0.780 -13.068 -7.588 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.612 -12.291 -8.884 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.237 -14.481 -7.730 1.00 0.00 C ATOM 0 H VAL A 29 1.976 -13.437 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 29 2.840 -13.617 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 29 0.209 -12.560 -6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.441 -12.278 -9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.962 -11.269 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.194 -12.769 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.811 -14.440 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.809 -15.016 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.322 -15.001 -6.776 1.00 0.00 H new ATOM 386 N LEU A 30 3.420 -11.176 -8.077 1.00 0.00 N ATOM 387 CA LEU A 30 3.957 -9.819 -8.075 1.00 0.00 C ATOM 388 C LEU A 30 2.834 -8.789 -8.017 1.00 0.00 C ATOM 389 O LEU A 30 2.081 -8.623 -8.976 1.00 0.00 O ATOM 390 CB LEU A 30 4.814 -9.587 -9.321 1.00 0.00 C ATOM 391 CG LEU A 30 5.486 -8.217 -9.427 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.816 -8.216 -8.690 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.682 -7.832 -10.886 1.00 0.00 C ATOM 0 H LEU A 30 3.587 -11.695 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 30 4.578 -9.702 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.589 -10.353 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.187 -9.731 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 30 4.836 -7.477 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.279 -7.233 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.649 -8.447 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.474 -8.967 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.161 -6.855 -10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.312 -8.574 -11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.714 -7.791 -11.385 1.00 0.00 H new ATOM 405 N GLN A 31 2.730 -8.098 -6.886 1.00 0.00 N ATOM 406 CA GLN A 31 1.699 -7.083 -6.705 1.00 0.00 C ATOM 407 C GLN A 31 2.317 -5.692 -6.603 1.00 0.00 C ATOM 408 O GLN A 31 3.287 -5.485 -5.874 1.00 0.00 O ATOM 409 CB GLN A 31 0.875 -7.380 -5.450 1.00 0.00 C ATOM 410 CG GLN A 31 0.276 -8.778 -5.433 1.00 0.00 C ATOM 411 CD GLN A 31 -0.810 -8.959 -6.475 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.283 -7.991 -7.071 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.212 -10.204 -6.700 1.00 0.00 N ATOM 0 H GLN A 31 3.346 -8.222 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 31 1.044 -7.108 -7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.508 -7.254 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.071 -6.648 -5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.065 -9.510 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.136 -8.981 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.792 -10.977 -6.183 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.940 -10.388 -7.390 1.00 0.00 H new ATOM 422 N SER A 32 1.749 -4.743 -7.340 1.00 0.00 N ATOM 423 CA SER A 32 2.247 -3.371 -7.336 1.00 0.00 C ATOM 424 C SER A 32 1.103 -2.378 -7.511 1.00 0.00 C ATOM 425 O SER A 32 0.062 -2.705 -8.082 1.00 0.00 O ATOM 426 CB SER A 32 3.280 -3.179 -8.448 1.00 0.00 C ATOM 427 OG SER A 32 3.907 -1.913 -8.348 1.00 0.00 O ATOM 0 H SER A 32 0.944 -4.898 -7.947 1.00 0.00 H new ATOM 0 HA SER A 32 2.722 -3.185 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.032 -3.966 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.795 -3.272 -9.420 1.00 0.00 H new ATOM 0 HG SER A 32 4.032 -1.683 -7.403 1.00 0.00 H new ATOM 433 N PHE A 33 1.304 -1.161 -7.015 1.00 0.00 N ATOM 434 CA PHE A 33 0.290 -0.118 -7.115 1.00 0.00 C ATOM 435 C PHE A 33 0.936 1.259 -7.229 1.00 0.00 C ATOM 436 O PHE A 33 2.161 1.384 -7.257 1.00 0.00 O ATOM 437 CB PHE A 33 -0.637 -0.161 -5.898 1.00 0.00 C ATOM 438 CG PHE A 33 0.095 -0.213 -4.588 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.790 -1.351 -4.213 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.090 0.876 -3.732 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.465 -1.403 -3.008 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.765 0.831 -2.526 1.00 0.00 C ATOM 443 CZ PHE A 33 1.452 -0.311 -2.163 1.00 0.00 C ATOM 0 H PHE A 33 2.160 -0.873 -6.540 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.296 -0.300 -8.016 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.281 0.718 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.287 -1.033 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.805 -2.208 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.447 1.771 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.002 -2.297 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.755 1.688 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.978 -0.350 -1.220 1.00 0.00 H new ATOM 453 N THR A 34 0.103 2.294 -7.295 1.00 0.00 N ATOM 454 CA THR A 34 0.591 3.662 -7.408 1.00 0.00 C ATOM 455 C THR A 34 0.081 4.525 -6.260 1.00 0.00 C ATOM 456 O THR A 34 -1.109 4.514 -5.944 1.00 0.00 O ATOM 457 CB THR A 34 0.167 4.301 -8.744 1.00 0.00 C ATOM 458 OG1 THR A 34 0.648 3.514 -9.838 1.00 0.00 O ATOM 459 CG2 THR A 34 0.704 5.721 -8.859 1.00 0.00 C ATOM 0 H THR A 34 -0.913 2.210 -7.272 1.00 0.00 H new ATOM 0 HA THR A 34 1.679 3.614 -7.366 1.00 0.00 H new ATOM 0 HB THR A 34 -0.922 4.337 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.373 3.926 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.392 6.152 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.312 6.325 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.793 5.704 -8.808 1.00 0.00 H new ATOM 467 N VAL A 35 0.987 5.271 -5.638 1.00 0.00 N ATOM 468 CA VAL A 35 0.627 6.142 -4.525 1.00 0.00 C ATOM 469 C VAL A 35 0.770 7.611 -4.908 1.00 0.00 C ATOM 470 O VAL A 35 1.881 8.135 -4.996 1.00 0.00 O ATOM 471 CB VAL A 35 1.498 5.859 -3.286 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.049 6.712 -2.110 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.452 4.380 -2.930 1.00 0.00 C ATOM 0 H VAL A 35 1.976 5.290 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.415 5.932 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 35 2.529 6.122 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.676 6.498 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.138 7.767 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.010 6.484 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.073 4.197 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.424 4.090 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.827 3.792 -3.768 1.00 0.00 H new ATOM 483 N ASP A 36 -0.361 8.270 -5.133 1.00 0.00 N ATOM 484 CA ASP A 36 -0.363 9.680 -5.504 1.00 0.00 C ATOM 485 C ASP A 36 -0.329 10.569 -4.265 1.00 0.00 C ATOM 486 O ASP A 36 -1.359 10.818 -3.638 1.00 0.00 O ATOM 487 CB ASP A 36 -1.597 10.006 -6.347 1.00 0.00 C ATOM 488 CG ASP A 36 -1.503 11.367 -7.010 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.861 11.463 -8.077 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.073 12.334 -6.463 1.00 0.00 O ATOM 0 H ASP A 36 -1.288 7.850 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 36 0.533 9.876 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.723 9.240 -7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.484 9.974 -5.715 1.00 0.00 H new ATOM 495 N SER A 37 0.863 11.044 -3.916 1.00 0.00 N ATOM 496 CA SER A 37 1.032 11.901 -2.748 1.00 0.00 C ATOM 497 C SER A 37 1.439 13.311 -3.164 1.00 0.00 C ATOM 498 O SER A 37 2.062 14.042 -2.395 1.00 0.00 O ATOM 499 CB SER A 37 2.084 11.313 -1.806 1.00 0.00 C ATOM 500 OG SER A 37 3.358 11.271 -2.425 1.00 0.00 O ATOM 0 H SER A 37 1.725 10.850 -4.425 1.00 0.00 H new ATOM 0 HA SER A 37 0.076 11.955 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.138 11.912 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.788 10.307 -1.508 1.00 0.00 H new ATOM 0 HG SER A 37 3.984 11.834 -1.923 1.00 0.00 H new ATOM 506 N SER A 38 1.079 13.688 -4.388 1.00 0.00 N ATOM 507 CA SER A 38 1.409 15.008 -4.909 1.00 0.00 C ATOM 508 C SER A 38 0.557 16.084 -4.241 1.00 0.00 C ATOM 509 O SER A 38 1.030 17.186 -3.965 1.00 0.00 O ATOM 510 CB SER A 38 1.203 15.048 -6.424 1.00 0.00 C ATOM 511 OG SER A 38 1.691 16.259 -6.974 1.00 0.00 O ATOM 0 H SER A 38 0.559 13.097 -5.036 1.00 0.00 H new ATOM 0 HA SER A 38 2.457 15.207 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.714 14.203 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.142 14.943 -6.653 1.00 0.00 H new ATOM 0 HG SER A 38 1.549 16.259 -7.944 1.00 0.00 H new ATOM 517 N LYS A 39 -0.704 15.755 -3.982 1.00 0.00 N ATOM 518 CA LYS A 39 -1.624 16.690 -3.346 1.00 0.00 C ATOM 519 C LYS A 39 -1.313 16.833 -1.859 1.00 0.00 C ATOM 520 O LYS A 39 -1.694 17.818 -1.228 1.00 0.00 O ATOM 521 CB LYS A 39 -3.070 16.223 -3.533 1.00 0.00 C ATOM 522 CG LYS A 39 -3.548 16.285 -4.973 1.00 0.00 C ATOM 523 CD LYS A 39 -4.016 17.682 -5.345 1.00 0.00 C ATOM 524 CE LYS A 39 -5.058 17.644 -6.453 1.00 0.00 C ATOM 525 NZ LYS A 39 -4.431 17.564 -7.802 1.00 0.00 N ATOM 0 H LYS A 39 -1.112 14.847 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.499 17.663 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.161 15.198 -3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.724 16.838 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.740 15.981 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.364 15.576 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.435 18.172 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.163 18.279 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.713 16.786 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.682 18.536 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.174 17.540 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.825 18.396 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.855 16.700 -7.867 1.00 0.00 H new ATOM 539 N ALA A 40 -0.618 15.843 -1.308 1.00 0.00 N ATOM 540 CA ALA A 40 -0.253 15.860 0.103 1.00 0.00 C ATOM 541 C ALA A 40 0.870 16.859 0.367 1.00 0.00 C ATOM 542 O ALA A 40 0.874 17.547 1.388 1.00 0.00 O ATOM 543 CB ALA A 40 0.158 14.469 0.559 1.00 0.00 C ATOM 0 H ALA A 40 -0.297 15.020 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.126 16.174 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.428 14.497 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.673 13.779 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.014 14.133 -0.026 1.00 0.00 H new ATOM 549 N GLY A 41 1.820 16.932 -0.559 1.00 0.00 N ATOM 550 CA GLY A 41 2.935 17.848 -0.406 1.00 0.00 C ATOM 551 C GLY A 41 4.262 17.214 -0.775 1.00 0.00 C ATOM 552 O GLY A 41 4.364 16.514 -1.783 1.00 0.00 O ATOM 0 H GLY A 41 1.838 16.374 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.769 18.725 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.977 18.196 0.626 1.00 0.00 H new ATOM 556 N LEU A 42 5.280 17.459 0.042 1.00 0.00 N ATOM 557 CA LEU A 42 6.609 16.908 -0.205 1.00 0.00 C ATOM 558 C LEU A 42 7.039 15.994 0.939 1.00 0.00 C ATOM 559 O LEU A 42 8.227 15.723 1.116 1.00 0.00 O ATOM 560 CB LEU A 42 7.626 18.036 -0.383 1.00 0.00 C ATOM 561 CG LEU A 42 7.674 19.078 0.736 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.630 20.159 0.504 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.468 18.417 2.090 1.00 0.00 C ATOM 0 H LEU A 42 5.212 18.035 0.881 1.00 0.00 H new ATOM 0 HA LEU A 42 6.567 16.319 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.617 17.593 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.410 18.548 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 42 8.659 19.545 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.679 20.891 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.824 20.654 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.638 19.708 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.505 19.174 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.497 17.922 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.254 17.681 2.259 1.00 0.00 H new ATOM 575 N ALA A 43 6.066 15.521 1.710 1.00 0.00 N ATOM 576 CA ALA A 43 6.344 14.635 2.833 1.00 0.00 C ATOM 577 C ALA A 43 6.634 13.216 2.354 1.00 0.00 C ATOM 578 O ALA A 43 6.151 12.777 1.310 1.00 0.00 O ATOM 579 CB ALA A 43 5.178 14.637 3.809 1.00 0.00 C ATOM 0 H ALA A 43 5.078 15.737 1.577 1.00 0.00 H new ATOM 0 HA ALA A 43 7.232 15.006 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.400 13.971 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.020 15.648 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.277 14.294 3.300 1.00 0.00 H new ATOM 585 N PRO A 44 7.441 12.481 3.133 1.00 0.00 N ATOM 586 CA PRO A 44 7.812 11.100 2.808 1.00 0.00 C ATOM 587 C PRO A 44 6.639 10.136 2.946 1.00 0.00 C ATOM 588 O PRO A 44 5.605 10.479 3.520 1.00 0.00 O ATOM 589 CB PRO A 44 8.897 10.773 3.838 1.00 0.00 C ATOM 590 CG PRO A 44 8.614 11.678 4.987 1.00 0.00 C ATOM 591 CD PRO A 44 8.052 12.939 4.392 1.00 0.00 C ATOM 0 HA PRO A 44 8.142 10.999 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.855 9.726 4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.893 10.948 3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.904 11.222 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.522 11.885 5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.316 13.401 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.831 13.681 4.214 1.00 0.00 H new ATOM 599 N LEU A 45 6.806 8.929 2.416 1.00 0.00 N ATOM 600 CA LEU A 45 5.760 7.915 2.480 1.00 0.00 C ATOM 601 C LEU A 45 6.284 6.633 3.118 1.00 0.00 C ATOM 602 O LEU A 45 7.375 6.167 2.792 1.00 0.00 O ATOM 603 CB LEU A 45 5.223 7.618 1.078 1.00 0.00 C ATOM 604 CG LEU A 45 4.234 6.457 0.970 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.808 6.952 1.150 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.388 5.747 -0.368 1.00 0.00 C ATOM 0 H LEU A 45 7.655 8.629 1.938 1.00 0.00 H new ATOM 0 HA LEU A 45 4.950 8.302 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.739 8.518 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.069 7.410 0.423 1.00 0.00 H new ATOM 0 HG LEU A 45 4.453 5.744 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.118 6.112 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.704 7.414 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.577 7.686 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.676 4.924 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.196 6.451 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.402 5.357 -0.458 1.00 0.00 H new ATOM 618 N GLU A 46 5.497 6.065 4.027 1.00 0.00 N ATOM 619 CA GLU A 46 5.881 4.835 4.709 1.00 0.00 C ATOM 620 C GLU A 46 4.910 3.705 4.383 1.00 0.00 C ATOM 621 O GLU A 46 3.713 3.932 4.202 1.00 0.00 O ATOM 622 CB GLU A 46 5.931 5.060 6.222 1.00 0.00 C ATOM 623 CG GLU A 46 6.801 4.053 6.957 1.00 0.00 C ATOM 624 CD GLU A 46 6.650 4.144 8.463 1.00 0.00 C ATOM 625 OE1 GLU A 46 5.607 3.693 8.983 1.00 0.00 O ATOM 626 OE2 GLU A 46 7.573 4.665 9.123 1.00 0.00 O ATOM 0 H GLU A 46 4.590 6.437 4.308 1.00 0.00 H new ATOM 0 HA GLU A 46 6.873 4.549 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.306 6.064 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.918 5.013 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.542 3.046 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.845 4.216 6.689 1.00 0.00 H new ATOM 633 N VAL A 47 5.433 2.485 4.308 1.00 0.00 N ATOM 634 CA VAL A 47 4.613 1.319 4.004 1.00 0.00 C ATOM 635 C VAL A 47 4.930 0.164 4.946 1.00 0.00 C ATOM 636 O VAL A 47 6.067 0.006 5.390 1.00 0.00 O ATOM 637 CB VAL A 47 4.818 0.852 2.550 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.950 -0.361 2.252 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.518 1.984 1.580 1.00 0.00 C ATOM 0 H VAL A 47 6.421 2.279 4.454 1.00 0.00 H new ATOM 0 HA VAL A 47 3.574 1.619 4.138 1.00 0.00 H new ATOM 0 HB VAL A 47 5.861 0.563 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.108 -0.677 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.218 -1.175 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.901 -0.102 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.668 1.637 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.484 2.307 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.186 2.821 1.780 1.00 0.00 H new ATOM 649 N ARG A 48 3.917 -0.642 5.248 1.00 0.00 N ATOM 650 CA ARG A 48 4.087 -1.783 6.139 1.00 0.00 C ATOM 651 C ARG A 48 3.083 -2.884 5.809 1.00 0.00 C ATOM 652 O ARG A 48 1.894 -2.622 5.632 1.00 0.00 O ATOM 653 CB ARG A 48 3.922 -1.349 7.596 1.00 0.00 C ATOM 654 CG ARG A 48 5.180 -0.740 8.196 1.00 0.00 C ATOM 655 CD ARG A 48 4.974 -0.357 9.653 1.00 0.00 C ATOM 656 NE ARG A 48 4.077 0.788 9.796 1.00 0.00 N ATOM 657 CZ ARG A 48 3.466 1.104 10.932 1.00 0.00 C ATOM 658 NH1 ARG A 48 3.653 0.365 12.017 1.00 0.00 N ATOM 659 NH2 ARG A 48 2.666 2.162 10.983 1.00 0.00 N ATOM 0 H ARG A 48 2.970 -0.526 4.888 1.00 0.00 H new ATOM 0 HA ARG A 48 5.093 -2.177 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.111 -0.624 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.626 -2.212 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.002 -1.451 8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.467 0.142 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.565 -1.208 10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.937 -0.122 10.106 1.00 0.00 H new ATOM 0 HE ARG A 48 3.911 1.376 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.267 -0.448 11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.183 0.610 12.888 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.521 2.732 10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.197 2.405 11.855 1.00 0.00 H new ATOM 673 N VAL A 49 3.572 -4.118 5.728 1.00 0.00 N ATOM 674 CA VAL A 49 2.719 -5.260 5.420 1.00 0.00 C ATOM 675 C VAL A 49 2.687 -6.250 6.579 1.00 0.00 C ATOM 676 O VAL A 49 3.729 -6.720 7.038 1.00 0.00 O ATOM 677 CB VAL A 49 3.193 -5.989 4.149 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.308 -7.191 3.861 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.215 -5.036 2.964 1.00 0.00 C ATOM 0 H VAL A 49 4.554 -4.352 5.871 1.00 0.00 H new ATOM 0 HA VAL A 49 1.716 -4.869 5.252 1.00 0.00 H new ATOM 0 HB VAL A 49 4.209 -6.348 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.659 -7.693 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.350 -7.884 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.280 -6.859 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.552 -5.569 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.212 -4.644 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.896 -4.211 3.173 1.00 0.00 H new ATOM 689 N LEU A 50 1.484 -6.562 7.049 1.00 0.00 N ATOM 690 CA LEU A 50 1.315 -7.499 8.155 1.00 0.00 C ATOM 691 C LEU A 50 0.401 -8.653 7.757 1.00 0.00 C ATOM 692 O LEU A 50 -0.749 -8.445 7.374 1.00 0.00 O ATOM 693 CB LEU A 50 0.741 -6.777 9.376 1.00 0.00 C ATOM 694 CG LEU A 50 1.737 -5.968 10.207 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.764 -6.886 10.853 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.425 -4.920 9.344 1.00 0.00 C ATOM 0 H LEU A 50 0.612 -6.180 6.682 1.00 0.00 H new ATOM 0 HA LEU A 50 2.294 -7.906 8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.049 -6.106 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.274 -7.518 10.025 1.00 0.00 H new ATOM 0 HG LEU A 50 1.189 -5.456 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.464 -6.292 11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.257 -7.598 11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.307 -7.426 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.130 -4.354 9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.960 -5.412 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.678 -4.243 8.929 1.00 0.00 H new ATOM 708 N GLY A 51 0.922 -9.873 7.852 1.00 0.00 N ATOM 709 CA GLY A 51 0.139 -11.044 7.501 1.00 0.00 C ATOM 710 C GLY A 51 -1.083 -11.209 8.381 1.00 0.00 C ATOM 711 O GLY A 51 -1.272 -10.488 9.361 1.00 0.00 O ATOM 0 H GLY A 51 1.872 -10.071 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.174 -10.969 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.764 -11.933 7.582 1.00 0.00 H new ATOM 715 N PRO A 52 -1.942 -12.179 8.032 1.00 0.00 N ATOM 716 CA PRO A 52 -3.168 -12.460 8.785 1.00 0.00 C ATOM 717 C PRO A 52 -2.882 -13.070 10.153 1.00 0.00 C ATOM 718 O PRO A 52 -3.422 -12.625 11.167 1.00 0.00 O ATOM 719 CB PRO A 52 -3.908 -13.464 7.898 1.00 0.00 C ATOM 720 CG PRO A 52 -2.836 -14.125 7.100 1.00 0.00 C ATOM 721 CD PRO A 52 -1.780 -13.078 6.877 1.00 0.00 C ATOM 0 HA PRO A 52 -3.735 -11.552 8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.461 -14.189 8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.631 -12.965 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.427 -14.984 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.227 -14.493 6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.782 -13.515 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.929 -12.552 5.934 1.00 0.00 H new ATOM 729 N ARG A 53 -2.028 -14.088 10.176 1.00 0.00 N ATOM 730 CA ARG A 53 -1.671 -14.758 11.421 1.00 0.00 C ATOM 731 C ARG A 53 -0.779 -13.868 12.281 1.00 0.00 C ATOM 732 O ARG A 53 -0.917 -13.829 13.502 1.00 0.00 O ATOM 733 CB ARG A 53 -0.960 -16.080 11.126 1.00 0.00 C ATOM 734 CG ARG A 53 -1.664 -16.932 10.081 1.00 0.00 C ATOM 735 CD ARG A 53 -0.959 -16.857 8.736 1.00 0.00 C ATOM 736 NE ARG A 53 -1.721 -17.520 7.682 1.00 0.00 N ATOM 737 CZ ARG A 53 -1.743 -18.837 7.507 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.050 -19.628 8.314 1.00 0.00 N ATOM 739 NH2 ARG A 53 -2.461 -19.365 6.525 1.00 0.00 N ATOM 0 H ARG A 53 -1.570 -14.467 9.347 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.589 -14.962 11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.054 -15.869 10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.875 -16.651 12.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.699 -17.968 10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.696 -16.597 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.801 -15.813 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.026 -17.318 8.816 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.267 -16.940 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.498 -19.226 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.069 -20.639 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.997 -18.760 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.477 -20.376 6.392 1.00 0.00 H new ATOM 753 N GLY A 54 0.139 -13.157 11.632 1.00 0.00 N ATOM 754 CA GLY A 54 1.042 -12.279 12.354 1.00 0.00 C ATOM 755 C GLY A 54 2.444 -12.289 11.779 1.00 0.00 C ATOM 756 O GLY A 54 3.424 -12.142 12.510 1.00 0.00 O ATOM 0 H GLY A 54 0.273 -13.173 10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.651 -11.262 12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.080 -12.582 13.400 1.00 0.00 H new ATOM 760 N LEU A 55 2.541 -12.465 10.466 1.00 0.00 N ATOM 761 CA LEU A 55 3.835 -12.496 9.792 1.00 0.00 C ATOM 762 C LEU A 55 4.236 -11.102 9.318 1.00 0.00 C ATOM 763 O LEU A 55 3.382 -10.254 9.060 1.00 0.00 O ATOM 764 CB LEU A 55 3.790 -13.458 8.604 1.00 0.00 C ATOM 765 CG LEU A 55 4.941 -13.342 7.602 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.166 -14.088 8.108 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.516 -13.870 6.240 1.00 0.00 C ATOM 0 H LEU A 55 1.740 -12.588 9.847 1.00 0.00 H new ATOM 0 HA LEU A 55 4.581 -12.845 10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.771 -14.478 8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.853 -13.301 8.070 1.00 0.00 H new ATOM 0 HG LEU A 55 5.202 -12.289 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.974 -13.995 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.483 -13.664 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.920 -15.141 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.346 -13.780 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.229 -14.918 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.668 -13.291 5.874 1.00 0.00 H new ATOM 779 N VAL A 56 5.540 -10.874 9.203 1.00 0.00 N ATOM 780 CA VAL A 56 6.054 -9.584 8.756 1.00 0.00 C ATOM 781 C VAL A 56 6.781 -9.716 7.423 1.00 0.00 C ATOM 782 O VAL A 56 7.645 -10.576 7.258 1.00 0.00 O ATOM 783 CB VAL A 56 7.014 -8.973 9.794 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.582 -7.656 9.286 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.304 -8.778 11.126 1.00 0.00 C ATOM 0 H VAL A 56 6.260 -11.565 9.413 1.00 0.00 H new ATOM 0 HA VAL A 56 5.195 -8.924 8.635 1.00 0.00 H new ATOM 0 HB VAL A 56 7.843 -9.664 9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.258 -7.239 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.128 -7.829 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.768 -6.955 9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.997 -8.345 11.848 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.455 -8.108 10.991 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.951 -9.741 11.494 1.00 0.00 H new ATOM 795 N GLU A 57 6.426 -8.854 6.475 1.00 0.00 N ATOM 796 CA GLU A 57 7.046 -8.874 5.155 1.00 0.00 C ATOM 797 C GLU A 57 7.446 -7.467 4.721 1.00 0.00 C ATOM 798 O GLU A 57 6.735 -6.491 4.957 1.00 0.00 O ATOM 799 CB GLU A 57 6.090 -9.483 4.127 1.00 0.00 C ATOM 800 CG GLU A 57 5.715 -10.925 4.424 1.00 0.00 C ATOM 801 CD GLU A 57 6.922 -11.842 4.476 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.553 -12.053 3.419 1.00 0.00 O ATOM 803 OE2 GLU A 57 7.235 -12.350 5.573 1.00 0.00 O ATOM 0 H GLU A 57 5.713 -8.134 6.596 1.00 0.00 H new ATOM 0 HA GLU A 57 7.945 -9.488 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.182 -8.881 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.550 -9.432 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.187 -10.971 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.025 -11.282 3.660 1.00 0.00 H new ATOM 810 N PRO A 58 8.616 -7.360 4.071 1.00 0.00 N ATOM 811 CA PRO A 58 9.138 -6.078 3.590 1.00 0.00 C ATOM 812 C PRO A 58 8.327 -5.520 2.425 1.00 0.00 C ATOM 813 O PRO A 58 7.463 -6.202 1.874 1.00 0.00 O ATOM 814 CB PRO A 58 10.559 -6.422 3.136 1.00 0.00 C ATOM 815 CG PRO A 58 10.510 -7.873 2.804 1.00 0.00 C ATOM 816 CD PRO A 58 9.515 -8.481 3.755 1.00 0.00 C ATOM 0 HA PRO A 58 9.096 -5.307 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.853 -5.828 2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.286 -6.220 3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.205 -8.027 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.491 -8.333 2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.977 -9.311 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.001 -8.871 4.649 1.00 0.00 H new ATOM 824 N VAL A 59 8.611 -4.276 2.053 1.00 0.00 N ATOM 825 CA VAL A 59 7.909 -3.628 0.952 1.00 0.00 C ATOM 826 C VAL A 59 8.859 -2.773 0.122 1.00 0.00 C ATOM 827 O VAL A 59 9.888 -2.311 0.615 1.00 0.00 O ATOM 828 CB VAL A 59 6.756 -2.743 1.465 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.044 -2.069 0.304 1.00 0.00 C ATOM 830 CG2 VAL A 59 5.781 -3.568 2.293 1.00 0.00 C ATOM 0 H VAL A 59 9.323 -3.697 2.498 1.00 0.00 H new ATOM 0 HA VAL A 59 7.499 -4.422 0.327 1.00 0.00 H new ATOM 0 HB VAL A 59 7.174 -1.965 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.233 -1.448 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.751 -1.446 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.637 -2.829 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.973 -2.928 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.368 -4.368 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.303 -4.000 3.147 1.00 0.00 H new ATOM 840 N ASN A 60 8.508 -2.565 -1.143 1.00 0.00 N ATOM 841 CA ASN A 60 9.330 -1.765 -2.043 1.00 0.00 C ATOM 842 C ASN A 60 8.768 -0.354 -2.184 1.00 0.00 C ATOM 843 O ASN A 60 7.557 -0.166 -2.305 1.00 0.00 O ATOM 844 CB ASN A 60 9.414 -2.432 -3.418 1.00 0.00 C ATOM 845 CG ASN A 60 10.013 -1.516 -4.469 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.185 -1.644 -4.825 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.209 -0.586 -4.970 1.00 0.00 N ATOM 0 H ASN A 60 7.660 -2.940 -1.568 1.00 0.00 H new ATOM 0 HA ASN A 60 10.331 -1.697 -1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.016 -3.338 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.416 -2.738 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.556 0.059 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.245 -0.517 -4.645 1.00 0.00 H new ATOM 854 N VAL A 61 9.655 0.635 -2.168 1.00 0.00 N ATOM 855 CA VAL A 61 9.248 2.030 -2.295 1.00 0.00 C ATOM 856 C VAL A 61 10.124 2.768 -3.301 1.00 0.00 C ATOM 857 O VAL A 61 11.330 2.916 -3.101 1.00 0.00 O ATOM 858 CB VAL A 61 9.316 2.760 -0.940 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.759 2.893 -0.476 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.650 4.124 -1.037 1.00 0.00 C ATOM 0 H VAL A 61 10.661 0.497 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 61 8.217 2.028 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 61 8.776 2.169 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.787 3.411 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.198 1.902 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.327 3.462 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.707 4.626 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.160 4.725 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.605 3.999 -1.320 1.00 0.00 H new ATOM 870 N VAL A 62 9.509 3.231 -4.385 1.00 0.00 N ATOM 871 CA VAL A 62 10.231 3.956 -5.423 1.00 0.00 C ATOM 872 C VAL A 62 9.427 5.153 -5.918 1.00 0.00 C ATOM 873 O VAL A 62 8.249 5.027 -6.251 1.00 0.00 O ATOM 874 CB VAL A 62 10.561 3.043 -6.619 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.293 3.823 -7.700 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.383 1.846 -6.164 1.00 0.00 C ATOM 0 H VAL A 62 8.512 3.117 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 62 11.161 4.307 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 62 9.626 2.674 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.518 3.162 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.665 4.644 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.222 4.223 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.607 1.212 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.314 2.193 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.817 1.275 -5.428 1.00 0.00 H new ATOM 886 N ASP A 63 10.073 6.313 -5.965 1.00 0.00 N ATOM 887 CA ASP A 63 9.418 7.534 -6.422 1.00 0.00 C ATOM 888 C ASP A 63 9.417 7.612 -7.946 1.00 0.00 C ATOM 889 O ASP A 63 10.397 7.253 -8.597 1.00 0.00 O ATOM 890 CB ASP A 63 10.116 8.762 -5.836 1.00 0.00 C ATOM 891 CG ASP A 63 9.442 10.058 -6.239 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.215 10.044 -6.468 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.142 11.089 -6.326 1.00 0.00 O ATOM 0 H ASP A 63 11.049 6.434 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 63 8.384 7.514 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.128 8.685 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.155 8.778 -6.166 1.00 0.00 H new ATOM 898 N ASN A 64 8.309 8.084 -8.508 1.00 0.00 N ATOM 899 CA ASN A 64 8.179 8.208 -9.955 1.00 0.00 C ATOM 900 C ASN A 64 8.882 9.465 -10.458 1.00 0.00 C ATOM 901 O ASN A 64 9.607 9.428 -11.452 1.00 0.00 O ATOM 902 CB ASN A 64 6.703 8.241 -10.354 1.00 0.00 C ATOM 903 CG ASN A 64 6.015 6.906 -10.142 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.739 6.179 -11.096 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.737 6.579 -8.886 1.00 0.00 N ATOM 0 H ASN A 64 7.488 8.387 -7.983 1.00 0.00 H new ATOM 0 HA ASN A 64 8.653 7.340 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.190 9.007 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.620 8.527 -11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.276 5.693 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.985 7.214 -8.127 1.00 0.00 H new ATOM 912 N GLY A 65 8.663 10.578 -9.764 1.00 0.00 N ATOM 913 CA GLY A 65 9.282 11.831 -10.155 1.00 0.00 C ATOM 914 C GLY A 65 8.264 12.884 -10.546 1.00 0.00 C ATOM 915 O GLY A 65 8.535 14.081 -10.459 1.00 0.00 O ATOM 0 H GLY A 65 8.068 10.634 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.889 12.205 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.957 11.654 -10.993 1.00 0.00 H new ATOM 919 N ASP A 66 7.091 12.438 -10.980 1.00 0.00 N ATOM 920 CA ASP A 66 6.029 13.350 -11.386 1.00 0.00 C ATOM 921 C ASP A 66 5.161 13.741 -10.194 1.00 0.00 C ATOM 922 O ASP A 66 4.780 14.901 -10.044 1.00 0.00 O ATOM 923 CB ASP A 66 5.164 12.709 -12.473 1.00 0.00 C ATOM 924 CG ASP A 66 4.497 13.737 -13.364 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.220 14.463 -14.079 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.251 13.817 -13.349 1.00 0.00 O ATOM 0 H ASP A 66 6.851 11.450 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 66 6.493 14.252 -11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.782 12.050 -13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.400 12.087 -12.006 1.00 0.00 H new ATOM 931 N GLY A 67 4.853 12.763 -9.346 1.00 0.00 N ATOM 932 CA GLY A 67 4.032 13.025 -8.179 1.00 0.00 C ATOM 933 C GLY A 67 3.398 11.766 -7.622 1.00 0.00 C ATOM 934 O GLY A 67 2.276 11.797 -7.117 1.00 0.00 O ATOM 0 H GLY A 67 5.158 11.795 -9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.642 13.493 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.249 13.737 -8.442 1.00 0.00 H new ATOM 938 N THR A 68 4.117 10.651 -7.716 1.00 0.00 N ATOM 939 CA THR A 68 3.617 9.375 -7.220 1.00 0.00 C ATOM 940 C THR A 68 4.759 8.485 -6.743 1.00 0.00 C ATOM 941 O THR A 68 5.930 8.852 -6.845 1.00 0.00 O ATOM 942 CB THR A 68 2.816 8.627 -8.304 1.00 0.00 C ATOM 943 OG1 THR A 68 3.677 8.271 -9.391 1.00 0.00 O ATOM 944 CG2 THR A 68 1.670 9.484 -8.818 1.00 0.00 C ATOM 0 H THR A 68 5.048 10.607 -8.131 1.00 0.00 H new ATOM 0 HA THR A 68 2.959 9.598 -6.380 1.00 0.00 H new ATOM 0 HB THR A 68 2.401 7.723 -7.859 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.161 7.795 -10.075 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.119 8.935 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.000 9.729 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.068 10.403 -9.248 1.00 0.00 H new ATOM 952 N HIS A 69 4.411 7.313 -6.221 1.00 0.00 N ATOM 953 CA HIS A 69 5.408 6.369 -5.730 1.00 0.00 C ATOM 954 C HIS A 69 4.961 4.930 -5.971 1.00 0.00 C ATOM 955 O HIS A 69 3.884 4.522 -5.534 1.00 0.00 O ATOM 956 CB HIS A 69 5.660 6.593 -4.238 1.00 0.00 C ATOM 957 CG HIS A 69 5.883 8.030 -3.877 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.075 8.504 -3.373 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.056 9.099 -3.952 1.00 0.00 C ATOM 960 CE1 HIS A 69 6.971 9.803 -3.152 1.00 0.00 C ATOM 961 NE2 HIS A 69 5.756 10.188 -3.496 1.00 0.00 N ATOM 0 H HIS A 69 3.446 6.995 -6.127 1.00 0.00 H new ATOM 0 HA HIS A 69 6.334 6.539 -6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.809 6.213 -3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.530 6.011 -3.934 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.035 9.096 -4.305 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.748 10.441 -2.757 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.396 11.140 -3.433 1.00 0.00 H new ATOM 970 N THR A 70 5.794 4.167 -6.671 1.00 0.00 N ATOM 971 CA THR A 70 5.484 2.775 -6.972 1.00 0.00 C ATOM 972 C THR A 70 5.904 1.858 -5.829 1.00 0.00 C ATOM 973 O THR A 70 6.992 2.004 -5.271 1.00 0.00 O ATOM 974 CB THR A 70 6.176 2.312 -8.268 1.00 0.00 C ATOM 975 OG1 THR A 70 5.679 3.060 -9.383 1.00 0.00 O ATOM 976 CG2 THR A 70 5.947 0.827 -8.504 1.00 0.00 C ATOM 0 H THR A 70 6.689 4.489 -7.040 1.00 0.00 H new ATOM 0 HA THR A 70 4.404 2.714 -7.105 1.00 0.00 H new ATOM 0 HB THR A 70 7.247 2.485 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.125 2.761 -10.203 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.445 0.524 -9.425 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.354 0.259 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.878 0.633 -8.589 1.00 0.00 H new ATOM 984 N VAL A 71 5.036 0.911 -5.487 1.00 0.00 N ATOM 985 CA VAL A 71 5.319 -0.032 -4.411 1.00 0.00 C ATOM 986 C VAL A 71 5.097 -1.470 -4.867 1.00 0.00 C ATOM 987 O VAL A 71 3.968 -1.880 -5.136 1.00 0.00 O ATOM 988 CB VAL A 71 4.442 0.245 -3.176 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.798 -0.706 -2.044 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.587 1.693 -2.733 1.00 0.00 C ATOM 0 H VAL A 71 4.132 0.776 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 71 6.366 0.102 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 71 3.400 0.075 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.168 -0.495 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.637 -1.734 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.845 -0.571 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.960 1.871 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.628 1.893 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.277 2.354 -3.542 1.00 0.00 H new ATOM 1000 N THR A 72 6.182 -2.233 -4.952 1.00 0.00 N ATOM 1001 CA THR A 72 6.106 -3.625 -5.377 1.00 0.00 C ATOM 1002 C THR A 72 6.244 -4.571 -4.190 1.00 0.00 C ATOM 1003 O THR A 72 6.957 -4.277 -3.230 1.00 0.00 O ATOM 1004 CB THR A 72 7.197 -3.957 -6.412 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.490 -3.654 -5.876 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.980 -3.173 -7.699 1.00 0.00 C ATOM 0 H THR A 72 7.124 -1.910 -4.732 1.00 0.00 H new ATOM 0 HA THR A 72 5.127 -3.762 -5.835 1.00 0.00 H new ATOM 0 HB THR A 72 7.138 -5.021 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.178 -3.869 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.763 -3.424 -8.415 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.008 -3.428 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.014 -2.105 -7.484 1.00 0.00 H new ATOM 1014 N TYR A 73 5.559 -5.706 -4.260 1.00 0.00 N ATOM 1015 CA TYR A 73 5.603 -6.694 -3.190 1.00 0.00 C ATOM 1016 C TYR A 73 5.029 -8.029 -3.655 1.00 0.00 C ATOM 1017 O TYR A 73 4.560 -8.156 -4.787 1.00 0.00 O ATOM 1018 CB TYR A 73 4.830 -6.190 -1.970 1.00 0.00 C ATOM 1019 CG TYR A 73 3.342 -6.449 -2.047 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.495 -5.552 -2.688 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.783 -7.587 -1.481 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.135 -5.783 -2.760 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.424 -7.827 -1.551 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.604 -6.922 -2.191 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.750 -7.156 -2.262 1.00 0.00 O ATOM 0 H TYR A 73 4.966 -5.965 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 73 6.646 -6.846 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.228 -6.669 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.999 -5.119 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.907 -4.660 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.422 -8.297 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.490 -5.075 -3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.006 -8.719 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.173 -6.465 -2.813 1.00 0.00 H new ATOM 1035 N THR A 74 5.068 -9.022 -2.772 1.00 0.00 N ATOM 1036 CA THR A 74 4.554 -10.348 -3.091 1.00 0.00 C ATOM 1037 C THR A 74 4.127 -11.089 -1.830 1.00 0.00 C ATOM 1038 O THR A 74 4.946 -11.435 -0.977 1.00 0.00 O ATOM 1039 CB THR A 74 5.601 -11.193 -3.840 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.037 -10.502 -5.016 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.028 -12.548 -4.226 1.00 0.00 C ATOM 0 H THR A 74 5.450 -8.933 -1.831 1.00 0.00 H new ATOM 0 HA THR A 74 3.687 -10.204 -3.736 1.00 0.00 H new ATOM 0 HB THR A 74 6.450 -11.352 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.704 -11.045 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.786 -13.127 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.723 -13.084 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.163 -12.406 -4.874 1.00 0.00 H new ATOM 1049 N PRO A 75 2.815 -11.342 -1.706 1.00 0.00 N ATOM 1050 CA PRO A 75 2.251 -12.047 -0.550 1.00 0.00 C ATOM 1051 C PRO A 75 2.637 -13.522 -0.526 1.00 0.00 C ATOM 1052 O PRO A 75 1.975 -14.358 -1.142 1.00 0.00 O ATOM 1053 CB PRO A 75 0.741 -11.894 -0.744 1.00 0.00 C ATOM 1054 CG PRO A 75 0.565 -11.705 -2.212 1.00 0.00 C ATOM 1055 CD PRO A 75 1.783 -10.959 -2.683 1.00 0.00 C ATOM 0 HA PRO A 75 2.617 -11.641 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.205 -12.775 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.354 -11.041 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.474 -12.665 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.344 -11.143 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.063 -11.246 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.617 -9.882 -2.691 1.00 0.00 H new ATOM 1063 N SER A 76 3.713 -13.836 0.188 1.00 0.00 N ATOM 1064 CA SER A 76 4.189 -15.211 0.290 1.00 0.00 C ATOM 1065 C SER A 76 3.022 -16.193 0.279 1.00 0.00 C ATOM 1066 O SER A 76 2.930 -17.055 -0.594 1.00 0.00 O ATOM 1067 CB SER A 76 5.013 -15.395 1.566 1.00 0.00 C ATOM 1068 OG SER A 76 5.356 -16.756 1.760 1.00 0.00 O ATOM 0 H SER A 76 4.272 -13.157 0.705 1.00 0.00 H new ATOM 0 HA SER A 76 4.821 -15.415 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.920 -14.793 1.507 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.446 -15.034 2.424 1.00 0.00 H new ATOM 0 HG SER A 76 5.883 -16.847 2.581 1.00 0.00 H new ATOM 1074 N GLN A 77 2.132 -16.054 1.257 1.00 0.00 N ATOM 1075 CA GLN A 77 0.969 -16.929 1.361 1.00 0.00 C ATOM 1076 C GLN A 77 -0.324 -16.139 1.192 1.00 0.00 C ATOM 1077 O GLN A 77 -0.318 -14.909 1.219 1.00 0.00 O ATOM 1078 CB GLN A 77 0.967 -17.652 2.709 1.00 0.00 C ATOM 1079 CG GLN A 77 0.868 -16.714 3.901 1.00 0.00 C ATOM 1080 CD GLN A 77 1.423 -17.326 5.173 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.319 -18.168 5.130 1.00 0.00 O ATOM 1082 NE2 GLN A 77 0.891 -16.903 6.314 1.00 0.00 N ATOM 0 H GLN A 77 2.194 -15.345 1.988 1.00 0.00 H new ATOM 0 HA GLN A 77 1.029 -17.667 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.131 -18.351 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.879 -18.243 2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.408 -15.793 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.176 -16.442 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.149 -16.203 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.224 -17.278 7.202 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.430 -16.855 1.017 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.731 -16.219 0.842 1.00 0.00 C ATOM 1093 C GLU A 78 -3.352 -15.872 2.193 1.00 0.00 C ATOM 1094 O GLU A 78 -2.900 -16.341 3.236 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.671 -17.136 0.057 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.021 -18.421 0.789 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.397 -18.942 0.428 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.380 -18.190 0.600 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -5.493 -20.101 -0.028 1.00 0.00 O ATOM 0 H GLU A 78 -1.452 -17.874 0.993 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.583 -15.296 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.590 -16.594 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.207 -17.386 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.276 -19.182 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.973 -18.247 1.864 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.392 -15.044 2.163 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.059 -14.646 3.390 1.00 0.00 C ATOM 1108 C GLY A 79 -5.273 -13.148 3.474 1.00 0.00 C ATOM 1109 O GLY A 79 -4.737 -12.378 2.678 1.00 0.00 O ATOM 0 H GLY A 79 -4.785 -14.642 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.022 -15.152 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.467 -14.974 4.244 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.073 -12.716 4.460 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.376 -11.296 4.667 1.00 0.00 C ATOM 1115 C PRO A 80 -5.168 -10.515 5.175 1.00 0.00 C ATOM 1116 O PRO A 80 -4.942 -10.417 6.380 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.480 -11.321 5.728 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.274 -12.602 6.459 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.746 -13.579 5.445 1.00 0.00 C ATOM 0 HA PRO A 80 -6.667 -10.801 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.403 -10.466 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.469 -11.280 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.569 -12.473 7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.208 -12.958 6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.054 -14.291 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.549 -14.159 4.990 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.396 -9.961 4.246 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.210 -9.190 4.599 1.00 0.00 C ATOM 1129 C TYR A 81 -3.580 -7.753 4.953 1.00 0.00 C ATOM 1130 O TYR A 81 -4.725 -7.335 4.782 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.208 -9.200 3.444 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.197 -10.321 3.529 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.606 -11.645 3.635 1.00 0.00 C ATOM 1134 CD2 TYR A 81 0.167 -10.057 3.504 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.686 -12.673 3.715 1.00 0.00 C ATOM 1136 CE2 TYR A 81 1.094 -11.078 3.581 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.663 -12.385 3.686 1.00 0.00 C ATOM 1138 OH TYR A 81 1.583 -13.405 3.765 1.00 0.00 O ATOM 0 H TYR A 81 -4.570 -10.032 3.244 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.753 -9.654 5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.752 -9.283 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.680 -8.247 3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.661 -11.874 3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.508 -9.036 3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.021 -13.696 3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.150 -10.855 3.559 1.00 0.00 H new ATOM 0 HH TYR A 81 2.489 -13.032 3.730 1.00 0.00 H new ATOM 1148 N MET A 82 -2.602 -7.002 5.448 1.00 0.00 N ATOM 1149 CA MET A 82 -2.824 -5.611 5.825 1.00 0.00 C ATOM 1150 C MET A 82 -1.628 -4.746 5.438 1.00 0.00 C ATOM 1151 O MET A 82 -0.515 -4.959 5.916 1.00 0.00 O ATOM 1152 CB MET A 82 -3.080 -5.502 7.330 1.00 0.00 C ATOM 1153 CG MET A 82 -3.550 -4.124 7.768 1.00 0.00 C ATOM 1154 SD MET A 82 -4.376 -4.151 9.371 1.00 0.00 S ATOM 1155 CE MET A 82 -3.027 -3.688 10.455 1.00 0.00 C ATOM 0 H MET A 82 -1.649 -7.333 5.597 1.00 0.00 H new ATOM 0 HA MET A 82 -3.701 -5.251 5.287 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.828 -6.241 7.617 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.164 -5.752 7.865 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.694 -3.450 7.815 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.232 -3.721 7.019 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.381 -3.661 11.485 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.223 -4.418 10.367 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.655 -2.703 10.173 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.868 -3.768 4.569 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.811 -2.870 4.119 1.00 0.00 C ATOM 1167 C VAL A 83 -1.010 -1.464 4.673 1.00 0.00 C ATOM 1168 O VAL A 83 -1.771 -0.670 4.121 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.752 -2.800 2.581 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.249 -1.747 2.132 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.403 -4.161 1.998 1.00 0.00 C ATOM 0 H VAL A 83 -2.784 -3.578 4.163 1.00 0.00 H new ATOM 0 HA VAL A 83 0.129 -3.275 4.494 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.736 -2.513 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.277 -1.712 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.050 -0.773 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.239 -2.000 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.366 -4.092 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.569 -4.480 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.162 -4.887 2.290 1.00 0.00 H new ATOM 1181 N SER A 84 -0.322 -1.164 5.770 1.00 0.00 N ATOM 1182 CA SER A 84 -0.425 0.146 6.402 1.00 0.00 C ATOM 1183 C SER A 84 0.466 1.163 5.696 1.00 0.00 C ATOM 1184 O SER A 84 1.550 0.829 5.217 1.00 0.00 O ATOM 1185 CB SER A 84 -0.040 0.053 7.880 1.00 0.00 C ATOM 1186 OG SER A 84 -0.631 -1.080 8.492 1.00 0.00 O ATOM 0 H SER A 84 0.312 -1.810 6.239 1.00 0.00 H new ATOM 0 HA SER A 84 -1.460 0.480 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.045 -0.004 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.358 0.957 8.399 1.00 0.00 H new ATOM 0 HG SER A 84 -0.368 -1.117 9.435 1.00 0.00 H new ATOM 1192 N VAL A 85 0.000 2.406 5.634 1.00 0.00 N ATOM 1193 CA VAL A 85 0.754 3.473 4.987 1.00 0.00 C ATOM 1194 C VAL A 85 0.677 4.766 5.792 1.00 0.00 C ATOM 1195 O VAL A 85 -0.386 5.141 6.288 1.00 0.00 O ATOM 1196 CB VAL A 85 0.239 3.739 3.560 1.00 0.00 C ATOM 1197 CG1 VAL A 85 1.011 4.881 2.917 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.336 2.477 2.716 1.00 0.00 C ATOM 0 H VAL A 85 -0.896 2.699 6.024 1.00 0.00 H new ATOM 0 HA VAL A 85 1.791 3.141 4.935 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.810 4.030 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.633 5.054 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.885 5.786 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.069 4.623 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.032 2.682 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.376 2.154 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.266 1.689 3.169 1.00 0.00 H new ATOM 1208 N LYS A 86 1.812 5.446 5.918 1.00 0.00 N ATOM 1209 CA LYS A 86 1.875 6.699 6.661 1.00 0.00 C ATOM 1210 C LYS A 86 2.410 7.826 5.783 1.00 0.00 C ATOM 1211 O LYS A 86 2.909 7.586 4.684 1.00 0.00 O ATOM 1212 CB LYS A 86 2.761 6.538 7.899 1.00 0.00 C ATOM 1213 CG LYS A 86 2.331 7.402 9.072 1.00 0.00 C ATOM 1214 CD LYS A 86 3.157 7.110 10.312 1.00 0.00 C ATOM 1215 CE LYS A 86 2.501 7.672 11.564 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.381 7.540 12.758 1.00 0.00 N ATOM 0 H LYS A 86 2.701 5.150 5.515 1.00 0.00 H new ATOM 0 HA LYS A 86 0.864 6.957 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.754 5.492 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.789 6.785 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.432 8.454 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.277 7.227 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.285 6.033 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.152 7.540 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.258 8.723 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.561 7.151 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.898 7.934 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.592 6.535 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.268 8.058 12.595 1.00 0.00 H new ATOM 1230 N TYR A 87 2.303 9.055 6.276 1.00 0.00 N ATOM 1231 CA TYR A 87 2.776 10.218 5.535 1.00 0.00 C ATOM 1232 C TYR A 87 3.101 11.371 6.481 1.00 0.00 C ATOM 1233 O TYR A 87 2.209 11.955 7.096 1.00 0.00 O ATOM 1234 CB TYR A 87 1.724 10.662 4.516 1.00 0.00 C ATOM 1235 CG TYR A 87 2.309 11.352 3.305 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.936 10.624 2.301 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.235 12.733 3.164 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.472 11.251 1.193 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.767 13.367 2.058 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.385 12.621 1.075 1.00 0.00 C ATOM 1241 OH TYR A 87 3.917 13.250 -0.026 1.00 0.00 O ATOM 0 H TYR A 87 1.893 9.271 7.185 1.00 0.00 H new ATOM 0 HA TYR A 87 3.687 9.935 5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.157 9.791 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.020 11.336 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.005 9.550 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.753 13.320 3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.957 10.670 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.700 14.441 1.963 1.00 0.00 H new ATOM 0 HH TYR A 87 4.890 13.315 0.073 1.00 0.00 H new ATOM 1251 N ALA A 88 4.386 11.692 6.592 1.00 0.00 N ATOM 1252 CA ALA A 88 4.830 12.776 7.459 1.00 0.00 C ATOM 1253 C ALA A 88 4.496 12.482 8.918 1.00 0.00 C ATOM 1254 O ALA A 88 4.126 13.382 9.673 1.00 0.00 O ATOM 1255 CB ALA A 88 4.200 14.091 7.026 1.00 0.00 C ATOM 0 H ALA A 88 5.137 11.217 6.092 1.00 0.00 H new ATOM 0 HA ALA A 88 5.913 12.859 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.541 14.891 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.492 14.314 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.115 14.011 7.085 1.00 0.00 H new ATOM 1261 N ASP A 89 4.629 11.220 9.308 1.00 0.00 N ATOM 1262 CA ASP A 89 4.342 10.808 10.678 1.00 0.00 C ATOM 1263 C ASP A 89 2.856 10.960 10.990 1.00 0.00 C ATOM 1264 O ASP A 89 2.480 11.301 12.111 1.00 0.00 O ATOM 1265 CB ASP A 89 5.170 11.632 11.665 1.00 0.00 C ATOM 1266 CG ASP A 89 6.656 11.567 11.371 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.123 12.334 10.503 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.351 10.748 12.009 1.00 0.00 O ATOM 0 H ASP A 89 4.934 10.464 8.695 1.00 0.00 H new ATOM 0 HA ASP A 89 4.611 9.757 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.841 12.671 11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.987 11.272 12.677 1.00 0.00 H new ATOM 1273 N GLU A 90 2.017 10.704 9.991 1.00 0.00 N ATOM 1274 CA GLU A 90 0.573 10.815 10.159 1.00 0.00 C ATOM 1275 C GLU A 90 -0.154 9.766 9.323 1.00 0.00 C ATOM 1276 O GLU A 90 -0.255 9.892 8.104 1.00 0.00 O ATOM 1277 CB GLU A 90 0.097 12.215 9.768 1.00 0.00 C ATOM 1278 CG GLU A 90 0.519 13.297 10.747 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.303 14.564 10.608 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.547 14.461 10.548 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.297 15.658 10.557 1.00 0.00 O ATOM 0 H GLU A 90 2.312 10.418 9.057 1.00 0.00 H new ATOM 0 HA GLU A 90 0.341 10.642 11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.487 12.459 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.990 12.211 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.425 12.918 11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.572 13.533 10.591 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.658 8.732 9.989 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.374 7.660 9.307 1.00 0.00 C ATOM 1290 C GLU A 91 -2.485 8.224 8.425 1.00 0.00 C ATOM 1291 O GLU A 91 -3.463 8.781 8.923 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.962 6.681 10.325 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.061 5.493 10.619 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.394 4.821 11.937 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.234 3.896 11.934 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.815 5.219 12.969 1.00 0.00 O ATOM 0 H GLU A 91 -0.584 8.614 10.999 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.664 7.129 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.162 7.213 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.920 6.317 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.150 4.766 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.023 5.825 10.636 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.325 8.075 7.115 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.314 8.567 6.165 1.00 0.00 C ATOM 1305 C ILE A 92 -4.713 8.079 6.524 1.00 0.00 C ATOM 1306 O ILE A 92 -4.891 7.032 7.145 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.982 8.126 4.726 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.011 6.600 4.618 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.623 8.666 4.308 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.988 6.095 3.193 1.00 0.00 C ATOM 0 H ILE A 92 -1.520 7.618 6.687 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.287 9.655 6.218 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.736 8.534 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.155 6.190 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.907 6.226 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.402 8.346 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.635 9.755 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.857 8.284 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.010 5.005 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.858 6.476 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.079 6.439 2.700 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.732 8.854 6.122 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.134 8.520 6.389 1.00 0.00 C ATOM 1324 C PRO A 93 -7.606 7.314 5.583 1.00 0.00 C ATOM 1325 O PRO A 93 -8.781 6.953 5.620 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.887 9.780 5.956 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.000 10.424 4.947 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.593 10.116 5.377 1.00 0.00 C ATOM 0 HA PRO A 93 -7.297 8.247 7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.859 9.533 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.070 10.442 6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.197 10.034 3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.170 11.500 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.926 10.006 4.522 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.181 10.908 6.002 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.680 6.695 4.856 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.002 5.531 4.041 1.00 0.00 C ATOM 1338 C ARG A 94 -6.242 4.300 4.528 1.00 0.00 C ATOM 1339 O ARG A 94 -6.357 3.219 3.950 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.669 5.801 2.573 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.431 6.976 1.982 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.750 6.533 1.369 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.557 7.668 0.926 1.00 0.00 N ATOM 1344 CZ ARG A 94 -10.498 7.580 -0.007 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.752 6.417 -0.591 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -11.189 8.657 -0.356 1.00 0.00 N ATOM 0 H ARG A 94 -5.702 6.981 4.816 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.071 5.338 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.599 5.989 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.887 4.907 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.620 7.716 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.820 7.462 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.553 5.876 0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.312 5.952 2.100 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.388 8.577 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.224 5.586 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.475 6.353 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.998 9.553 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.912 8.589 -1.073 1.00 0.00 H new ATOM 1360 N SER A 95 -5.467 4.472 5.592 1.00 0.00 N ATOM 1361 CA SER A 95 -4.685 3.377 6.154 1.00 0.00 C ATOM 1362 C SER A 95 -5.151 3.046 7.569 1.00 0.00 C ATOM 1363 O SER A 95 -5.703 3.886 8.281 1.00 0.00 O ATOM 1364 CB SER A 95 -3.197 3.737 6.166 1.00 0.00 C ATOM 1365 OG SER A 95 -2.540 3.152 7.277 1.00 0.00 O ATOM 0 H SER A 95 -5.363 5.360 6.083 1.00 0.00 H new ATOM 0 HA SER A 95 -4.834 2.498 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.730 3.396 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.082 4.820 6.200 1.00 0.00 H new ATOM 0 HG SER A 95 -1.800 3.729 7.560 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.924 1.792 7.988 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.268 0.784 7.149 1.00 0.00 C ATOM 1373 C PRO A 96 -5.145 0.340 5.983 1.00 0.00 C ATOM 1374 O PRO A 96 -6.286 0.782 5.848 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.032 -0.380 8.114 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.076 -0.220 9.165 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.290 1.262 9.312 1.00 0.00 C ATOM 0 HA PRO A 96 -3.357 1.166 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.126 -1.340 7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.030 -0.342 8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.000 -0.721 8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.753 -0.663 10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.324 1.495 9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.665 1.682 10.100 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.605 -0.535 5.142 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.338 -1.038 3.986 1.00 0.00 C ATOM 1387 C PHE A 97 -5.558 -2.544 4.096 1.00 0.00 C ATOM 1388 O PHE A 97 -4.719 -3.269 4.630 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.583 -0.713 2.696 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.582 0.749 2.354 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.634 1.310 1.648 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.528 1.562 2.736 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.636 2.656 1.331 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.525 2.909 2.424 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.580 3.455 1.719 1.00 0.00 C ATOM 0 H PHE A 97 -3.662 -0.911 5.239 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.311 -0.547 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.553 -1.056 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.030 -1.270 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.462 0.689 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.699 1.139 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.462 3.081 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.699 3.533 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.578 4.506 1.472 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.694 -3.008 3.585 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.027 -4.427 3.623 1.00 0.00 C ATOM 1407 C LYS A 98 -6.757 -5.086 2.274 1.00 0.00 C ATOM 1408 O LYS A 98 -7.167 -4.577 1.231 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.495 -4.618 4.011 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.814 -4.168 5.427 1.00 0.00 C ATOM 1411 CD LYS A 98 -9.273 -2.721 5.463 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.784 -2.612 5.335 1.00 0.00 C ATOM 1413 NZ LYS A 98 -11.215 -2.496 3.915 1.00 0.00 N ATOM 0 H LYS A 98 -7.400 -2.421 3.140 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.395 -4.902 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.122 -4.063 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.756 -5.671 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.591 -4.807 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.931 -4.286 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.952 -2.260 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.797 -2.167 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.250 -3.488 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.134 -1.743 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.179 -2.108 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.566 -1.863 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.201 -3.436 3.470 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.066 -6.221 2.302 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.744 -6.950 1.082 1.00 0.00 C ATOM 1429 C VAL A 99 -6.003 -8.444 1.250 1.00 0.00 C ATOM 1430 O VAL A 99 -5.203 -9.160 1.852 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.274 -6.738 0.672 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -3.915 -7.628 -0.508 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.020 -5.274 0.345 1.00 0.00 C ATOM 0 H VAL A 99 -5.718 -6.655 3.157 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.392 -6.557 0.298 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.636 -7.015 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.873 -7.464 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.058 -8.673 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.557 -7.385 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.977 -5.141 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.665 -4.968 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.235 -4.663 1.221 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.126 -8.908 0.711 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.490 -10.317 0.798 1.00 0.00 C ATOM 1445 C LYS A 100 -6.791 -11.128 -0.288 1.00 0.00 C ATOM 1446 O LYS A 100 -7.284 -11.235 -1.411 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.007 -10.480 0.676 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.482 -11.910 0.867 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.993 -11.981 1.018 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.440 -13.350 1.507 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.172 -13.537 2.959 1.00 0.00 N ATOM 0 H LYS A 100 -7.799 -8.329 0.210 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.167 -10.691 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.493 -9.843 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.324 -10.129 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.172 -12.514 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.007 -12.337 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.326 -11.216 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.466 -11.763 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.506 -13.473 1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.923 -14.124 0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.611 -14.423 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.145 -13.580 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.572 -12.738 3.492 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.642 -11.701 0.055 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.876 -12.506 -0.890 1.00 0.00 C ATOM 1467 C VAL A 101 -5.574 -13.831 -1.173 1.00 0.00 C ATOM 1468 O VAL A 101 -6.206 -14.414 -0.291 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.455 -12.786 -0.367 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.622 -13.481 -1.432 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.790 -11.495 0.085 1.00 0.00 C ATOM 0 H VAL A 101 -5.221 -11.623 0.981 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.807 -11.931 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.527 -13.451 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.621 -13.671 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.092 -14.427 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.555 -12.844 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.787 -11.712 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.728 -10.804 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.378 -11.043 0.884 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.454 -14.304 -2.409 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.072 -15.563 -2.810 1.00 0.00 C ATOM 1483 C LEU A 102 -5.017 -16.569 -3.257 1.00 0.00 C ATOM 1484 O LEU A 102 -3.917 -16.208 -3.676 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.077 -15.324 -3.938 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.391 -14.655 -3.536 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.134 -14.156 -4.766 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.259 -15.618 -2.740 1.00 0.00 C ATOM 0 H LEU A 102 -4.934 -13.834 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.596 -15.974 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.598 -14.709 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.308 -16.283 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.161 -13.798 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.067 -13.683 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.516 -13.431 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.352 -14.996 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.190 -15.124 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.481 -16.495 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.729 -15.926 -1.839 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.358 -17.864 -3.168 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.455 -18.949 -3.563 1.00 0.00 C ATOM 1502 C PRO A 103 -4.241 -19.007 -5.072 1.00 0.00 C ATOM 1503 O PRO A 103 -5.178 -19.250 -5.833 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.178 -20.207 -3.077 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.618 -19.826 -3.042 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.652 -18.367 -2.678 1.00 0.00 C ATOM 0 HA PRO A 103 -3.458 -18.823 -3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.007 -21.047 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.825 -20.511 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.091 -19.998 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.162 -20.423 -2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.488 -17.854 -3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.758 -18.223 -1.603 1.00 0.00 H new ATOM 1514 N THR A 104 -3.003 -18.782 -5.498 1.00 0.00 N ATOM 1515 CA THR A 104 -2.666 -18.809 -6.916 1.00 0.00 C ATOM 1516 C THR A 104 -3.501 -19.844 -7.661 1.00 0.00 C ATOM 1517 O THR A 104 -3.846 -19.655 -8.827 1.00 0.00 O ATOM 1518 CB THR A 104 -1.173 -19.117 -7.134 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.371 -18.047 -6.621 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.872 -19.319 -8.612 1.00 0.00 C ATOM 0 H THR A 104 -2.216 -18.579 -4.881 1.00 0.00 H new ATOM 0 HA THR A 104 -2.886 -17.817 -7.311 1.00 0.00 H new ATOM 0 HB THR A 104 -0.934 -20.037 -6.601 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.379 -18.073 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.189 -19.535 -8.741 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.461 -20.153 -8.993 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.127 -18.413 -9.162 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.824 -20.937 -6.979 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.619 -22.004 -7.577 1.00 0.00 C ATOM 1530 C TYR A 105 -6.107 -21.670 -7.526 1.00 0.00 C ATOM 1531 O TYR A 105 -6.926 -22.495 -7.122 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.356 -23.328 -6.857 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.149 -24.072 -7.378 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -1.899 -23.464 -7.422 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.255 -25.383 -7.828 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.793 -24.140 -7.898 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.154 -26.066 -8.304 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.925 -25.441 -8.338 1.00 0.00 C ATOM 1539 OH TYR A 105 0.174 -26.119 -8.813 1.00 0.00 O ATOM 0 H TYR A 105 -3.548 -21.108 -6.012 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.324 -22.101 -8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.220 -23.132 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.235 -23.965 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -1.791 -22.446 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.216 -25.876 -7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.170 -23.653 -7.926 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.254 -27.085 -8.648 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.091 -27.024 -9.081 1.00 0.00 H new ATOM 1549 N ASP A 106 -6.447 -20.454 -7.938 1.00 0.00 N ATOM 1550 CA ASP A 106 -7.836 -20.010 -7.942 1.00 0.00 C ATOM 1551 C ASP A 106 -8.507 -20.333 -9.273 1.00 0.00 C ATOM 1552 O ASP A 106 -9.336 -19.568 -9.764 1.00 0.00 O ATOM 1553 CB ASP A 106 -7.913 -18.506 -7.670 1.00 0.00 C ATOM 1554 CG ASP A 106 -9.200 -18.110 -6.973 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -10.179 -18.881 -7.048 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -9.227 -17.027 -6.350 1.00 0.00 O ATOM 0 H ASP A 106 -5.781 -19.758 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.364 -20.543 -7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.064 -18.207 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.832 -17.964 -8.612 1.00 0.00 H new ATOM 1561 N ALA A 107 -8.141 -21.473 -9.852 1.00 0.00 N ATOM 1562 CA ALA A 107 -8.708 -21.898 -11.126 1.00 0.00 C ATOM 1563 C ALA A 107 -10.070 -22.555 -10.929 1.00 0.00 C ATOM 1564 O ALA A 107 -10.377 -23.568 -11.557 1.00 0.00 O ATOM 1565 CB ALA A 107 -7.757 -22.851 -11.835 1.00 0.00 C ATOM 0 H ALA A 107 -7.455 -22.118 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.848 -21.013 -11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.193 -23.160 -12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.807 -22.348 -12.018 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.588 -23.728 -11.210 1.00 0.00 H new ATOM 1571 N SER A 108 -10.881 -21.971 -10.052 1.00 0.00 N ATOM 1572 CA SER A 108 -12.209 -22.503 -9.769 1.00 0.00 C ATOM 1573 C SER A 108 -13.292 -21.510 -10.182 1.00 0.00 C ATOM 1574 O SER A 108 -13.254 -20.343 -9.800 1.00 0.00 O ATOM 1575 CB SER A 108 -12.344 -22.832 -8.281 1.00 0.00 C ATOM 1576 OG SER A 108 -11.806 -24.110 -7.990 1.00 0.00 O ATOM 0 H SER A 108 -10.642 -21.130 -9.526 1.00 0.00 H new ATOM 0 HA SER A 108 -12.338 -23.417 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.830 -22.074 -7.690 1.00 0.00 H new ATOM 0 HB3 SER A 108 -13.395 -22.802 -7.993 1.00 0.00 H new ATOM 0 HG SER A 108 -11.903 -24.296 -7.033 1.00 0.00 H new TER 1582 SER A 108