USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 51 TYR OH : rot 155:sc= 0.014! USER MOD Set 1.2: A 82 SER OG : rot -121:sc= -7.53! USER MOD Set 2.1: A 24 MET CE :methyl -155:sc= -3.81! (180deg=-5.18!) USER MOD Set 2.2: A 39 CYS SG : rot -137:sc= -1.95 USER MOD Set 2.3: A 45 CYS SG : rot 175:sc= -16.8! USER MOD Set 2.4: A 47 THR OG1 : rot 180:sc= 0.0627 USER MOD Set 2.5: A 48 CYS SG : rot 5:sc= -0.274 USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0.224 USER MOD Set 3.2: A 25 GLN : amide:sc= -4.09! K(o=-3.9!,f=-1.7) USER MOD Set 4.1: A 1 SER OG : rot -138:sc= -0.488! USER MOD Set 4.2: A 90 MET CE :methyl 158:sc= -7.7! (180deg=-9.43!) USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.421 (180deg=-0.709!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -91:sc= -3.81! USER MOD Single : A 7 SER OG : rot 97:sc= -4.79! USER MOD Single : A 8 HIS : no HE2:sc= -0.442 K(o=-0.44,f=-3.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.151 USER MOD Single : A 30 ASN : amide:sc= -6.97! C(o=-7!,f=-5.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -2.71! USER MOD Single : A 49 HIS : no HE2:sc= -18.6! C(o=-19!,f=-22!) USER MOD Single : A 53 ASN : amide:sc= -16.3! C(o=-16!,f=-26!) USER MOD Single : A 57 THR OG1 : rot 110:sc= -0.106 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.75! C(o=-3.7!,f=-13!) USER MOD Single : A 70 MET CE :methyl -128:sc= -17.2! (180deg=-29!) USER MOD Single : A 73 CYS SG : rot 180:sc= -2.22! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.4! C(o=-4.4!,f=-13!) USER MOD Single : A 85 SER OG : rot 127:sc= -8.08! USER MOD Single : A 87 GLN : amide:sc= -12.4! C(o=-12!,f=-11!) USER MOD Single : A 91 THR OG1 : rot -140:sc= -2.2! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.318 -10.747 -8.689 1.00 0.00 N ATOM 2 CA SER A 1 2.752 -9.600 -9.538 1.00 0.00 C ATOM 3 C SER A 1 4.050 -8.998 -8.997 1.00 0.00 C ATOM 4 O SER A 1 4.337 -9.071 -7.818 1.00 0.00 O ATOM 5 CB SER A 1 1.619 -8.578 -9.433 1.00 0.00 C ATOM 6 OG SER A 1 0.466 -9.205 -8.887 1.00 0.00 O ATOM 0 H1 SER A 1 1.771 -11.418 -9.265 1.00 0.00 H new ATOM 0 H2 SER A 1 3.155 -11.227 -8.300 1.00 0.00 H new ATOM 0 H3 SER A 1 1.726 -10.397 -7.909 1.00 0.00 H new ATOM 0 HA SER A 1 2.942 -9.904 -10.567 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.925 -7.743 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.392 -8.168 -10.417 1.00 0.00 H new ATOM 0 HG SER A 1 -0.330 -8.907 -9.374 1.00 0.00 H new ATOM 14 N LYS A 2 4.824 -8.382 -9.845 1.00 0.00 N ATOM 15 CA LYS A 2 6.092 -7.751 -9.377 1.00 0.00 C ATOM 16 C LYS A 2 5.745 -6.514 -8.554 1.00 0.00 C ATOM 17 O LYS A 2 5.051 -5.634 -9.021 1.00 0.00 O ATOM 18 CB LYS A 2 6.831 -7.350 -10.653 1.00 0.00 C ATOM 19 CG LYS A 2 8.338 -7.330 -10.387 1.00 0.00 C ATOM 20 CD LYS A 2 8.847 -8.764 -10.230 1.00 0.00 C ATOM 21 CE LYS A 2 9.814 -9.090 -11.370 1.00 0.00 C ATOM 22 NZ LYS A 2 10.831 -9.993 -10.763 1.00 0.00 N ATOM 0 H LYS A 2 4.635 -8.287 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 2 6.697 -8.413 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.602 -8.053 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.497 -6.367 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.857 -6.837 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.551 -6.756 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.348 -8.880 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.009 -9.461 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.299 -9.576 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.275 -8.186 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.531 -10.262 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.310 -9.501 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.363 -10.848 -10.399 1.00 0.00 H new ATOM 36 N VAL A 3 6.184 -6.435 -7.329 1.00 0.00 N ATOM 37 CA VAL A 3 5.814 -5.246 -6.524 1.00 0.00 C ATOM 38 C VAL A 3 7.036 -4.512 -5.967 1.00 0.00 C ATOM 39 O VAL A 3 8.021 -5.108 -5.580 1.00 0.00 O ATOM 40 CB VAL A 3 4.963 -5.804 -5.395 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.823 -4.751 -4.306 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.582 -6.155 -5.936 1.00 0.00 C ATOM 0 H VAL A 3 6.770 -7.127 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 3 5.290 -4.506 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 3 5.435 -6.696 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.213 -5.147 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.810 -4.489 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.346 -3.862 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.967 -6.556 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.111 -5.259 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.679 -6.901 -6.724 1.00 0.00 H new ATOM 52 N VAL A 4 6.946 -3.212 -5.908 1.00 0.00 N ATOM 53 CA VAL A 4 8.061 -2.392 -5.354 1.00 0.00 C ATOM 54 C VAL A 4 7.501 -1.391 -4.354 1.00 0.00 C ATOM 55 O VAL A 4 6.610 -0.624 -4.656 1.00 0.00 O ATOM 56 CB VAL A 4 8.691 -1.690 -6.551 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.523 -0.498 -6.073 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.593 -2.673 -7.301 1.00 0.00 C ATOM 0 H VAL A 4 6.138 -2.676 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 4 8.802 -2.992 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 4 7.904 -1.336 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.971 0.001 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.881 0.204 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.310 -0.848 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.044 -2.172 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.378 -3.028 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.000 -3.520 -7.647 1.00 0.00 H new ATOM 68 N TYR A 5 8.007 -1.409 -3.163 1.00 0.00 N ATOM 69 CA TYR A 5 7.501 -0.484 -2.118 1.00 0.00 C ATOM 70 C TYR A 5 8.445 0.681 -1.906 1.00 0.00 C ATOM 71 O TYR A 5 9.647 0.526 -1.914 1.00 0.00 O ATOM 72 CB TYR A 5 7.452 -1.332 -0.862 1.00 0.00 C ATOM 73 CG TYR A 5 6.548 -2.498 -1.106 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.173 -2.283 -1.255 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.067 -3.798 -1.179 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.317 -3.365 -1.474 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.213 -4.860 -1.390 1.00 0.00 C ATOM 78 CZ TYR A 5 4.838 -4.659 -1.537 1.00 0.00 C ATOM 79 OH TYR A 5 3.999 -5.735 -1.745 1.00 0.00 O ATOM 0 H TYR A 5 8.758 -2.030 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 5 6.536 -0.056 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.452 -1.677 -0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.088 -0.741 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.774 -1.281 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.128 -3.967 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.256 -3.201 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.613 -5.862 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 5 3.702 -6.090 -0.881 1.00 0.00 H new ATOM 89 N VAL A 6 7.910 1.843 -1.690 1.00 0.00 N ATOM 90 CA VAL A 6 8.796 3.018 -1.442 1.00 0.00 C ATOM 91 C VAL A 6 8.489 3.619 -0.081 1.00 0.00 C ATOM 92 O VAL A 6 7.368 3.602 0.373 1.00 0.00 O ATOM 93 CB VAL A 6 8.492 4.036 -2.539 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.659 5.025 -2.650 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.312 3.314 -3.866 1.00 0.00 C ATOM 0 H VAL A 6 6.908 2.035 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 6 9.847 2.728 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 6 7.577 4.575 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.446 5.753 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.790 5.542 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.572 4.484 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.095 4.041 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.227 2.775 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.485 2.608 -3.787 1.00 0.00 H new ATOM 105 N SER A 7 9.468 4.176 0.559 1.00 0.00 N ATOM 106 CA SER A 7 9.226 4.808 1.871 1.00 0.00 C ATOM 107 C SER A 7 9.362 6.312 1.705 1.00 0.00 C ATOM 108 O SER A 7 10.228 6.790 1.006 1.00 0.00 O ATOM 109 CB SER A 7 10.310 4.262 2.795 1.00 0.00 C ATOM 110 OG SER A 7 11.514 4.114 2.061 1.00 0.00 O ATOM 0 H SER A 7 10.431 4.220 0.226 1.00 0.00 H new ATOM 0 HA SER A 7 8.235 4.598 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.463 4.938 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.002 3.302 3.210 1.00 0.00 H new ATOM 0 HG SER A 7 12.086 4.895 2.211 1.00 0.00 H new ATOM 116 N HIS A 8 8.513 7.065 2.325 1.00 0.00 N ATOM 117 CA HIS A 8 8.605 8.542 2.180 1.00 0.00 C ATOM 118 C HIS A 8 10.066 8.995 2.326 1.00 0.00 C ATOM 119 O HIS A 8 10.444 10.049 1.856 1.00 0.00 O ATOM 120 CB HIS A 8 7.723 9.112 3.291 1.00 0.00 C ATOM 121 CG HIS A 8 6.725 10.058 2.688 1.00 0.00 C ATOM 122 ND1 HIS A 8 5.616 9.605 1.989 1.00 0.00 N ATOM 123 CD2 HIS A 8 6.651 11.428 2.665 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.928 10.686 1.579 1.00 0.00 C ATOM 125 NE2 HIS A 8 5.515 11.824 1.964 1.00 0.00 N ATOM 0 H HIS A 8 7.760 6.729 2.925 1.00 0.00 H new ATOM 0 HA HIS A 8 8.273 8.889 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.209 8.306 3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.335 9.631 4.029 1.00 0.00 H new ATOM 0 HD1 HIS A 8 5.368 8.631 1.817 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.365 12.097 3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.012 10.640 1.008 1.00 0.00 H new ATOM 133 N ASP A 9 10.896 8.203 2.963 1.00 0.00 N ATOM 134 CA ASP A 9 12.328 8.597 3.116 1.00 0.00 C ATOM 135 C ASP A 9 13.119 8.239 1.850 1.00 0.00 C ATOM 136 O ASP A 9 14.264 8.613 1.694 1.00 0.00 O ATOM 137 CB ASP A 9 12.838 7.808 4.328 1.00 0.00 C ATOM 138 CG ASP A 9 13.128 6.361 3.925 1.00 0.00 C ATOM 139 OD1 ASP A 9 12.645 5.948 2.885 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.829 5.690 4.665 1.00 0.00 O ATOM 0 H ASP A 9 10.644 7.307 3.380 1.00 0.00 H new ATOM 0 HA ASP A 9 12.446 9.671 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.742 8.273 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.096 7.830 5.126 1.00 0.00 H new ATOM 145 N GLY A 10 12.506 7.536 0.934 1.00 0.00 N ATOM 146 CA GLY A 10 13.206 7.173 -0.335 1.00 0.00 C ATOM 147 C GLY A 10 13.506 5.668 -0.407 1.00 0.00 C ATOM 148 O GLY A 10 13.444 5.076 -1.467 1.00 0.00 O ATOM 0 H GLY A 10 11.547 7.196 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.590 7.463 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.138 7.734 -0.410 1.00 0.00 H new ATOM 152 N THR A 11 13.845 5.039 0.687 1.00 0.00 N ATOM 153 CA THR A 11 14.155 3.588 0.632 1.00 0.00 C ATOM 154 C THR A 11 13.039 2.856 -0.111 1.00 0.00 C ATOM 155 O THR A 11 11.880 3.212 -0.040 1.00 0.00 O ATOM 156 CB THR A 11 14.289 3.146 2.104 1.00 0.00 C ATOM 157 OG1 THR A 11 15.632 2.748 2.338 1.00 0.00 O ATOM 158 CG2 THR A 11 13.360 1.968 2.437 1.00 0.00 C ATOM 0 H THR A 11 13.919 5.468 1.610 1.00 0.00 H new ATOM 0 HA THR A 11 15.072 3.360 0.089 1.00 0.00 H new ATOM 0 HB THR A 11 14.008 3.987 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.732 2.466 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.487 1.689 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.325 2.260 2.262 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.609 1.118 1.802 1.00 0.00 H new ATOM 166 N ARG A 12 13.393 1.845 -0.833 1.00 0.00 N ATOM 167 CA ARG A 12 12.369 1.081 -1.606 1.00 0.00 C ATOM 168 C ARG A 12 12.496 -0.430 -1.354 1.00 0.00 C ATOM 169 O ARG A 12 13.536 -0.918 -0.960 1.00 0.00 O ATOM 170 CB ARG A 12 12.665 1.402 -3.071 1.00 0.00 C ATOM 171 CG ARG A 12 12.556 2.912 -3.296 1.00 0.00 C ATOM 172 CD ARG A 12 12.527 3.204 -4.797 1.00 0.00 C ATOM 173 NE ARG A 12 13.618 4.193 -5.018 1.00 0.00 N ATOM 174 CZ ARG A 12 14.293 4.182 -6.134 1.00 0.00 C ATOM 175 NH1 ARG A 12 14.833 3.073 -6.560 1.00 0.00 N ATOM 176 NH2 ARG A 12 14.427 5.280 -6.827 1.00 0.00 N ATOM 0 H ARG A 12 14.350 1.505 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 12 11.355 1.356 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.664 1.056 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.964 0.876 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.653 3.297 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.401 3.421 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.692 2.297 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.561 3.607 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 12 13.838 4.879 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.727 2.214 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.361 3.065 -7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.004 6.147 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.955 5.271 -7.700 1.00 0.00 H new ATOM 190 N ARG A 13 11.441 -1.173 -1.588 1.00 0.00 N ATOM 191 CA ARG A 13 11.493 -2.654 -1.374 1.00 0.00 C ATOM 192 C ARG A 13 10.734 -3.379 -2.489 1.00 0.00 C ATOM 193 O ARG A 13 9.563 -3.151 -2.698 1.00 0.00 O ATOM 194 CB ARG A 13 10.797 -2.893 -0.036 1.00 0.00 C ATOM 195 CG ARG A 13 11.279 -4.219 0.556 1.00 0.00 C ATOM 196 CD ARG A 13 11.884 -3.982 1.944 1.00 0.00 C ATOM 197 NE ARG A 13 10.969 -3.015 2.614 1.00 0.00 N ATOM 198 CZ ARG A 13 11.331 -2.435 3.725 1.00 0.00 C ATOM 199 NH1 ARG A 13 12.184 -3.023 4.520 1.00 0.00 N ATOM 200 NH2 ARG A 13 10.842 -1.267 4.041 1.00 0.00 N ATOM 0 H ARG A 13 10.544 -0.817 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 13 12.517 -3.027 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.014 -2.075 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.716 -2.915 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.447 -4.919 0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.021 -4.672 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.953 -4.913 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.894 -3.580 1.869 1.00 0.00 H new ATOM 0 HE ARG A 13 10.059 -2.806 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.567 -3.935 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.467 -2.570 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.177 -0.808 3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.125 -0.814 4.910 1.00 0.00 H new ATOM 214 N GLU A 14 11.380 -4.254 -3.206 1.00 0.00 N ATOM 215 CA GLU A 14 10.668 -4.978 -4.299 1.00 0.00 C ATOM 216 C GLU A 14 10.228 -6.369 -3.833 1.00 0.00 C ATOM 217 O GLU A 14 11.032 -7.173 -3.405 1.00 0.00 O ATOM 218 CB GLU A 14 11.687 -5.089 -5.433 1.00 0.00 C ATOM 219 CG GLU A 14 12.336 -3.724 -5.671 1.00 0.00 C ATOM 220 CD GLU A 14 13.825 -3.799 -5.326 1.00 0.00 C ATOM 221 OE1 GLU A 14 14.147 -3.689 -4.155 1.00 0.00 O ATOM 222 OE2 GLU A 14 14.616 -3.966 -6.239 1.00 0.00 O ATOM 0 H GLU A 14 12.363 -4.499 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 14 9.764 -4.455 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.449 -5.827 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.198 -5.435 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.208 -3.425 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.848 -2.966 -5.059 1.00 0.00 H new ATOM 229 N LEU A 15 8.955 -6.659 -3.915 1.00 0.00 N ATOM 230 CA LEU A 15 8.471 -8.000 -3.481 1.00 0.00 C ATOM 231 C LEU A 15 8.018 -8.823 -4.677 1.00 0.00 C ATOM 232 O LEU A 15 7.478 -8.308 -5.637 1.00 0.00 O ATOM 233 CB LEU A 15 7.255 -7.743 -2.584 1.00 0.00 C ATOM 234 CG LEU A 15 7.670 -7.573 -1.118 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.431 -7.564 -0.229 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.498 -8.729 -0.662 1.00 0.00 C ATOM 0 H LEU A 15 8.234 -6.027 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 15 9.265 -8.545 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.733 -6.848 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.554 -8.573 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 15 8.231 -6.641 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.731 -7.443 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.782 -6.737 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.893 -8.505 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.780 -8.585 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.922 -9.650 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.397 -8.797 -1.275 1.00 0.00 H new ATOM 248 N ASP A 16 8.183 -10.107 -4.599 1.00 0.00 N ATOM 249 CA ASP A 16 7.707 -10.981 -5.696 1.00 0.00 C ATOM 250 C ASP A 16 6.373 -11.570 -5.248 1.00 0.00 C ATOM 251 O ASP A 16 6.320 -12.592 -4.595 1.00 0.00 O ATOM 252 CB ASP A 16 8.771 -12.070 -5.849 1.00 0.00 C ATOM 253 CG ASP A 16 9.954 -11.519 -6.648 1.00 0.00 C ATOM 254 OD1 ASP A 16 9.722 -10.977 -7.715 1.00 0.00 O ATOM 255 OD2 ASP A 16 11.073 -11.648 -6.177 1.00 0.00 O ATOM 0 H ASP A 16 8.629 -10.591 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 16 7.562 -10.465 -6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.106 -12.406 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.348 -12.937 -6.356 1.00 0.00 H new ATOM 260 N VAL A 17 5.300 -10.901 -5.552 1.00 0.00 N ATOM 261 CA VAL A 17 3.970 -11.386 -5.096 1.00 0.00 C ATOM 262 C VAL A 17 3.252 -12.144 -6.209 1.00 0.00 C ATOM 263 O VAL A 17 3.699 -12.187 -7.338 1.00 0.00 O ATOM 264 CB VAL A 17 3.212 -10.107 -4.736 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.745 -10.435 -4.467 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.831 -9.487 -3.482 1.00 0.00 C ATOM 0 H VAL A 17 5.285 -10.039 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 17 4.045 -12.081 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 17 3.278 -9.403 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.209 -9.521 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.302 -10.878 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.676 -11.140 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.293 -8.575 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.765 -10.195 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.877 -9.249 -3.672 1.00 0.00 H new ATOM 276 N ALA A 18 2.146 -12.753 -5.889 1.00 0.00 N ATOM 277 CA ALA A 18 1.391 -13.523 -6.919 1.00 0.00 C ATOM 278 C ALA A 18 -0.053 -13.024 -7.003 1.00 0.00 C ATOM 279 O ALA A 18 -0.318 -11.842 -6.921 1.00 0.00 O ATOM 280 CB ALA A 18 1.432 -14.972 -6.434 1.00 0.00 C ATOM 0 H ALA A 18 1.730 -12.752 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 18 1.820 -13.413 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.896 -15.607 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.468 -15.303 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.961 -15.041 -5.453 1.00 0.00 H new ATOM 286 N ASP A 19 -0.989 -13.918 -7.169 1.00 0.00 N ATOM 287 CA ASP A 19 -2.413 -13.504 -7.261 1.00 0.00 C ATOM 288 C ASP A 19 -3.132 -13.817 -5.941 1.00 0.00 C ATOM 289 O ASP A 19 -3.161 -14.944 -5.488 1.00 0.00 O ATOM 290 CB ASP A 19 -2.972 -14.324 -8.442 1.00 0.00 C ATOM 291 CG ASP A 19 -4.176 -15.176 -8.015 1.00 0.00 C ATOM 292 OD1 ASP A 19 -3.958 -16.209 -7.404 1.00 0.00 O ATOM 293 OD2 ASP A 19 -5.291 -14.778 -8.308 1.00 0.00 O ATOM 0 H ASP A 19 -0.825 -14.922 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.548 -12.435 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.268 -13.650 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.190 -14.971 -8.840 1.00 0.00 H new ATOM 298 N GLY A 20 -3.719 -12.827 -5.335 1.00 0.00 N ATOM 299 CA GLY A 20 -4.446 -13.061 -4.054 1.00 0.00 C ATOM 300 C GLY A 20 -3.703 -12.407 -2.886 1.00 0.00 C ATOM 301 O GLY A 20 -4.166 -12.428 -1.763 1.00 0.00 O ATOM 0 H GLY A 20 -3.728 -11.863 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.455 -12.655 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.544 -14.132 -3.876 1.00 0.00 H new ATOM 305 N VAL A 21 -2.563 -11.817 -3.127 1.00 0.00 N ATOM 306 CA VAL A 21 -1.824 -11.164 -2.005 1.00 0.00 C ATOM 307 C VAL A 21 -2.008 -9.649 -2.053 1.00 0.00 C ATOM 308 O VAL A 21 -2.503 -9.094 -3.011 1.00 0.00 O ATOM 309 CB VAL A 21 -0.351 -11.497 -2.216 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.480 -10.876 -1.093 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.140 -13.011 -2.212 1.00 0.00 C ATOM 0 H VAL A 21 -2.114 -11.758 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.191 -11.516 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.038 -11.094 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.533 -11.115 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.349 -9.794 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.152 -11.276 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.917 -13.232 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.462 -13.421 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.724 -13.462 -3.015 1.00 0.00 H new ATOM 321 N SER A 22 -1.592 -8.986 -1.018 1.00 0.00 N ATOM 322 CA SER A 22 -1.701 -7.499 -0.958 1.00 0.00 C ATOM 323 C SER A 22 -0.308 -6.890 -0.765 1.00 0.00 C ATOM 324 O SER A 22 0.622 -7.575 -0.392 1.00 0.00 O ATOM 325 CB SER A 22 -2.580 -7.215 0.263 1.00 0.00 C ATOM 326 OG SER A 22 -2.839 -8.430 0.958 1.00 0.00 O ATOM 0 H SER A 22 -1.173 -9.415 -0.193 1.00 0.00 H new ATOM 0 HA SER A 22 -2.122 -7.073 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.083 -6.505 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.518 -6.756 -0.050 1.00 0.00 H new ATOM 0 HG SER A 22 -3.400 -8.246 1.740 1.00 0.00 H new ATOM 332 N LEU A 23 -0.149 -5.607 -0.978 1.00 0.00 N ATOM 333 CA LEU A 23 1.197 -5.002 -0.754 1.00 0.00 C ATOM 334 C LEU A 23 1.613 -5.323 0.668 1.00 0.00 C ATOM 335 O LEU A 23 2.770 -5.523 0.971 1.00 0.00 O ATOM 336 CB LEU A 23 1.027 -3.480 -0.904 1.00 0.00 C ATOM 337 CG LEU A 23 0.905 -3.078 -2.387 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.193 -4.169 -3.193 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.106 -1.778 -2.489 1.00 0.00 C ATOM 0 H LEU A 23 -0.877 -4.965 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 23 1.944 -5.379 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.139 -3.155 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.879 -2.970 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 23 1.907 -2.942 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.119 -3.861 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.760 -5.098 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.807 -4.325 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.016 -1.488 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.888 -1.928 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.620 -0.991 -1.937 1.00 0.00 H new ATOM 351 N MET A 24 0.651 -5.369 1.541 1.00 0.00 N ATOM 352 CA MET A 24 0.941 -5.672 2.957 1.00 0.00 C ATOM 353 C MET A 24 1.394 -7.110 3.110 1.00 0.00 C ATOM 354 O MET A 24 2.509 -7.383 3.478 1.00 0.00 O ATOM 355 CB MET A 24 -0.383 -5.440 3.686 1.00 0.00 C ATOM 356 CG MET A 24 -0.392 -6.224 4.994 1.00 0.00 C ATOM 357 SD MET A 24 -1.049 -5.186 6.320 1.00 0.00 S ATOM 358 CE MET A 24 -0.590 -6.280 7.682 1.00 0.00 C ATOM 0 H MET A 24 -0.333 -5.207 1.327 1.00 0.00 H new ATOM 0 HA MET A 24 1.742 -5.051 3.357 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.518 -4.377 3.887 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.216 -5.754 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.000 -7.122 4.887 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.618 -6.550 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.249 -6.099 8.532 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.686 -7.318 7.363 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.442 -6.084 7.974 1.00 0.00 H new ATOM 368 N GLN A 25 0.521 -8.014 2.843 1.00 0.00 N ATOM 369 CA GLN A 25 0.835 -9.455 2.992 1.00 0.00 C ATOM 370 C GLN A 25 2.277 -9.789 2.560 1.00 0.00 C ATOM 371 O GLN A 25 3.121 -10.033 3.398 1.00 0.00 O ATOM 372 CB GLN A 25 -0.178 -10.087 2.060 1.00 0.00 C ATOM 373 CG GLN A 25 -0.112 -11.610 2.134 1.00 0.00 C ATOM 374 CD GLN A 25 -1.464 -12.194 1.708 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.717 -13.366 1.906 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.354 -11.425 1.125 1.00 0.00 N ATOM 0 H GLN A 25 -0.426 -7.817 2.518 1.00 0.00 H new ATOM 0 HA GLN A 25 0.779 -9.805 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.180 -9.749 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.010 -9.760 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.680 -11.984 1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.131 -11.927 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.146 -10.441 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.254 -11.812 0.840 1.00 0.00 H new ATOM 385 N ALA A 26 2.580 -9.823 1.279 1.00 0.00 N ATOM 386 CA ALA A 26 3.988 -10.166 0.876 1.00 0.00 C ATOM 387 C ALA A 26 4.964 -9.414 1.775 1.00 0.00 C ATOM 388 O ALA A 26 5.809 -9.992 2.431 1.00 0.00 O ATOM 389 CB ALA A 26 4.169 -9.693 -0.573 1.00 0.00 C ATOM 0 H ALA A 26 1.933 -9.634 0.513 1.00 0.00 H new ATOM 0 HA ALA A 26 4.173 -11.236 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.181 -9.923 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.450 -10.203 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.005 -8.617 -0.628 1.00 0.00 H new ATOM 395 N ALA A 27 4.841 -8.119 1.799 1.00 0.00 N ATOM 396 CA ALA A 27 5.738 -7.282 2.640 1.00 0.00 C ATOM 397 C ALA A 27 5.689 -7.775 4.088 1.00 0.00 C ATOM 398 O ALA A 27 6.682 -8.167 4.667 1.00 0.00 O ATOM 399 CB ALA A 27 5.120 -5.896 2.527 1.00 0.00 C ATOM 0 H ALA A 27 4.147 -7.597 1.264 1.00 0.00 H new ATOM 0 HA ALA A 27 6.783 -7.308 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.705 -5.188 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.114 -5.584 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.097 -5.922 2.903 1.00 0.00 H new ATOM 405 N VAL A 28 4.513 -7.763 4.646 1.00 0.00 N ATOM 406 CA VAL A 28 4.283 -8.231 6.041 1.00 0.00 C ATOM 407 C VAL A 28 5.268 -9.354 6.403 1.00 0.00 C ATOM 408 O VAL A 28 6.102 -9.210 7.274 1.00 0.00 O ATOM 409 CB VAL A 28 2.827 -8.728 5.965 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.668 -10.137 6.554 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.903 -7.779 6.718 1.00 0.00 C ATOM 0 H VAL A 28 3.670 -7.436 4.174 1.00 0.00 H new ATOM 0 HA VAL A 28 4.437 -7.474 6.810 1.00 0.00 H new ATOM 0 HB VAL A 28 2.559 -8.760 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.626 -10.447 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.295 -10.836 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.970 -10.130 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.878 -8.143 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.207 -7.729 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.963 -6.785 6.275 1.00 0.00 H new ATOM 421 N SER A 29 5.175 -10.466 5.727 1.00 0.00 N ATOM 422 CA SER A 29 6.099 -11.604 6.009 1.00 0.00 C ATOM 423 C SER A 29 7.524 -11.150 5.784 1.00 0.00 C ATOM 424 O SER A 29 8.402 -11.348 6.601 1.00 0.00 O ATOM 425 CB SER A 29 5.711 -12.643 4.985 1.00 0.00 C ATOM 426 OG SER A 29 6.836 -12.993 4.189 1.00 0.00 O ATOM 0 H SER A 29 4.495 -10.637 4.987 1.00 0.00 H new ATOM 0 HA SER A 29 6.032 -11.980 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.321 -13.529 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.913 -12.258 4.350 1.00 0.00 H new ATOM 0 HG SER A 29 6.573 -13.669 3.530 1.00 0.00 H new ATOM 432 N ASN A 30 7.745 -10.499 4.681 1.00 0.00 N ATOM 433 CA ASN A 30 9.093 -9.973 4.388 1.00 0.00 C ATOM 434 C ASN A 30 9.481 -9.002 5.502 1.00 0.00 C ATOM 435 O ASN A 30 10.608 -8.559 5.592 1.00 0.00 O ATOM 436 CB ASN A 30 8.933 -9.240 3.055 1.00 0.00 C ATOM 437 CG ASN A 30 9.443 -10.125 1.918 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.634 -10.296 1.751 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.581 -10.701 1.126 1.00 0.00 N ATOM 0 H ASN A 30 7.041 -10.310 3.967 1.00 0.00 H new ATOM 0 HA ASN A 30 9.865 -10.740 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.885 -8.988 2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.487 -8.302 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.907 -11.296 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.581 -10.556 1.268 1.00 0.00 H new ATOM 446 N GLY A 31 8.541 -8.665 6.354 1.00 0.00 N ATOM 447 CA GLY A 31 8.856 -7.714 7.463 1.00 0.00 C ATOM 448 C GLY A 31 8.721 -6.287 6.951 1.00 0.00 C ATOM 449 O GLY A 31 8.740 -5.340 7.714 1.00 0.00 O ATOM 0 H GLY A 31 7.579 -9.004 6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.180 -7.878 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.867 -7.887 7.831 1.00 0.00 H new ATOM 453 N ILE A 32 8.570 -6.126 5.667 1.00 0.00 N ATOM 454 CA ILE A 32 8.411 -4.764 5.098 1.00 0.00 C ATOM 455 C ILE A 32 7.475 -3.953 5.997 1.00 0.00 C ATOM 456 O ILE A 32 7.639 -2.761 6.168 1.00 0.00 O ATOM 457 CB ILE A 32 7.801 -5.013 3.722 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.891 -5.482 2.757 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.164 -3.733 3.175 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.318 -5.523 1.341 1.00 0.00 C ATOM 0 H ILE A 32 8.550 -6.885 4.985 1.00 0.00 H new ATOM 0 HA ILE A 32 9.340 -4.198 5.027 1.00 0.00 H new ATOM 0 HB ILE A 32 7.031 -5.779 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.746 -4.807 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.251 -6.469 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.735 -3.931 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.379 -3.398 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.924 -2.957 3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.089 -5.856 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.476 -6.215 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.979 -4.527 1.056 1.00 0.00 H new ATOM 472 N TYR A 33 6.497 -4.597 6.584 1.00 0.00 N ATOM 473 CA TYR A 33 5.560 -3.862 7.483 1.00 0.00 C ATOM 474 C TYR A 33 5.804 -4.191 8.948 1.00 0.00 C ATOM 475 O TYR A 33 4.921 -4.665 9.635 1.00 0.00 O ATOM 476 CB TYR A 33 4.169 -4.325 7.099 1.00 0.00 C ATOM 477 CG TYR A 33 3.780 -3.642 5.834 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.409 -2.293 5.843 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.798 -4.360 4.651 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.050 -1.663 4.644 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.443 -3.745 3.458 1.00 0.00 C ATOM 482 CZ TYR A 33 3.064 -2.394 3.445 1.00 0.00 C ATOM 483 OH TYR A 33 2.711 -1.785 2.258 1.00 0.00 O ATOM 0 H TYR A 33 6.309 -5.594 6.480 1.00 0.00 H new ATOM 0 HA TYR A 33 5.697 -2.787 7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.152 -5.407 6.967 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.458 -4.090 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.399 -1.740 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.089 -5.400 4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.764 -0.621 4.642 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.459 -4.308 2.537 1.00 0.00 H new ATOM 0 HH TYR A 33 2.776 -2.433 1.526 1.00 0.00 H new ATOM 559 N CYS A 39 -5.220 -3.839 11.488 1.00 0.00 N ATOM 560 CA CYS A 39 -5.705 -4.654 10.332 1.00 0.00 C ATOM 561 C CYS A 39 -5.600 -6.148 10.613 1.00 0.00 C ATOM 562 O CYS A 39 -6.464 -6.912 10.233 1.00 0.00 O ATOM 563 CB CYS A 39 -4.781 -4.286 9.184 1.00 0.00 C ATOM 564 SG CYS A 39 -3.053 -4.439 9.711 1.00 0.00 S ATOM 0 HA CYS A 39 -6.755 -4.452 10.121 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.969 -4.938 8.331 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.982 -3.266 8.857 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.374 -3.421 9.272 1.00 0.00 H new ATOM 569 N GLY A 40 -4.543 -6.588 11.244 1.00 0.00 N ATOM 570 CA GLY A 40 -4.405 -8.048 11.491 1.00 0.00 C ATOM 571 C GLY A 40 -4.714 -8.757 10.175 1.00 0.00 C ATOM 572 O GLY A 40 -5.227 -9.857 10.143 1.00 0.00 O ATOM 0 H GLY A 40 -3.781 -6.007 11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.397 -8.288 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.091 -8.373 12.274 1.00 0.00 H new ATOM 576 N GLY A 41 -4.426 -8.095 9.085 1.00 0.00 N ATOM 577 CA GLY A 41 -4.717 -8.674 7.748 1.00 0.00 C ATOM 578 C GLY A 41 -6.198 -8.455 7.427 1.00 0.00 C ATOM 579 O GLY A 41 -6.840 -9.291 6.824 1.00 0.00 O ATOM 0 H GLY A 41 -3.998 -7.169 9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.093 -8.203 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.482 -9.738 7.738 1.00 0.00 H new ATOM 583 N SER A 42 -6.751 -7.336 7.832 1.00 0.00 N ATOM 584 CA SER A 42 -8.196 -7.085 7.546 1.00 0.00 C ATOM 585 C SER A 42 -8.457 -5.626 7.157 1.00 0.00 C ATOM 586 O SER A 42 -9.591 -5.218 6.995 1.00 0.00 O ATOM 587 CB SER A 42 -8.925 -7.437 8.841 1.00 0.00 C ATOM 588 OG SER A 42 -10.190 -8.005 8.528 1.00 0.00 O ATOM 0 H SER A 42 -6.270 -6.595 8.342 1.00 0.00 H new ATOM 0 HA SER A 42 -8.540 -7.681 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.332 -8.140 9.426 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.056 -6.544 9.453 1.00 0.00 H new ATOM 0 HG SER A 42 -10.660 -8.234 9.357 1.00 0.00 H new ATOM 594 N ALA A 43 -7.429 -4.842 6.980 1.00 0.00 N ATOM 595 CA ALA A 43 -7.629 -3.416 6.569 1.00 0.00 C ATOM 596 C ALA A 43 -8.207 -2.563 7.696 1.00 0.00 C ATOM 597 O ALA A 43 -9.189 -1.870 7.532 1.00 0.00 O ATOM 598 CB ALA A 43 -8.609 -3.463 5.418 1.00 0.00 C ATOM 0 H ALA A 43 -6.456 -5.124 7.102 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.675 -2.962 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.804 -2.451 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.189 -4.057 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.542 -3.916 5.753 1.00 0.00 H new ATOM 604 N SER A 44 -7.583 -2.588 8.816 1.00 0.00 N ATOM 605 CA SER A 44 -8.028 -1.751 9.961 1.00 0.00 C ATOM 606 C SER A 44 -6.795 -1.052 10.527 1.00 0.00 C ATOM 607 O SER A 44 -6.651 -0.906 11.725 1.00 0.00 O ATOM 608 CB SER A 44 -8.616 -2.729 10.979 1.00 0.00 C ATOM 609 OG SER A 44 -8.790 -4.001 10.367 1.00 0.00 O ATOM 0 H SER A 44 -6.762 -3.163 9.003 1.00 0.00 H new ATOM 0 HA SER A 44 -8.763 -0.993 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.954 -2.815 11.841 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.572 -2.357 11.347 1.00 0.00 H new ATOM 0 HG SER A 44 -9.165 -4.629 11.019 1.00 0.00 H new ATOM 615 N CYS A 45 -5.855 -0.696 9.683 1.00 0.00 N ATOM 616 CA CYS A 45 -4.597 -0.102 10.232 1.00 0.00 C ATOM 617 C CYS A 45 -4.350 1.385 9.940 1.00 0.00 C ATOM 618 O CYS A 45 -4.199 1.819 8.820 1.00 0.00 O ATOM 619 CB CYS A 45 -3.435 -0.947 9.678 1.00 0.00 C ATOM 620 SG CYS A 45 -3.746 -1.491 7.981 1.00 0.00 S ATOM 0 H CYS A 45 -5.901 -0.787 8.668 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.685 -0.129 11.318 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.515 -0.364 9.709 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.283 -1.817 10.316 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.696 -2.106 7.523 1.00 0.00 H new ATOM 625 N ALA A 46 -4.197 2.162 10.964 1.00 0.00 N ATOM 626 CA ALA A 46 -3.855 3.585 10.743 1.00 0.00 C ATOM 627 C ALA A 46 -2.328 3.688 10.609 1.00 0.00 C ATOM 628 O ALA A 46 -1.767 4.762 10.582 1.00 0.00 O ATOM 629 CB ALA A 46 -4.344 4.318 11.991 1.00 0.00 C ATOM 0 H ALA A 46 -4.293 1.877 11.939 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.307 4.008 9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.124 5.381 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.420 4.178 12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.838 3.918 12.870 1.00 0.00 H new ATOM 635 N THR A 47 -1.654 2.558 10.548 1.00 0.00 N ATOM 636 CA THR A 47 -0.163 2.571 10.443 1.00 0.00 C ATOM 637 C THR A 47 0.326 2.084 9.065 1.00 0.00 C ATOM 638 O THR A 47 1.237 2.654 8.499 1.00 0.00 O ATOM 639 CB THR A 47 0.315 1.620 11.542 1.00 0.00 C ATOM 640 OG1 THR A 47 0.138 0.276 11.114 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.489 1.859 12.822 1.00 0.00 C ATOM 0 H THR A 47 -2.077 1.630 10.567 1.00 0.00 H new ATOM 0 HA THR A 47 0.230 3.582 10.556 1.00 0.00 H new ATOM 0 HB THR A 47 1.370 1.804 11.743 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.445 -0.334 11.817 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.144 1.179 13.601 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.350 2.889 13.152 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.546 1.680 12.626 1.00 0.00 H new ATOM 649 N CYS A 48 -0.250 1.037 8.517 1.00 0.00 N ATOM 650 CA CYS A 48 0.230 0.550 7.178 1.00 0.00 C ATOM 651 C CYS A 48 -0.250 1.456 6.037 1.00 0.00 C ATOM 652 O CYS A 48 -0.245 1.053 4.891 1.00 0.00 O ATOM 653 CB CYS A 48 -0.310 -0.870 6.978 1.00 0.00 C ATOM 654 SG CYS A 48 -0.398 -1.810 8.523 1.00 0.00 S ATOM 0 H CYS A 48 -1.018 0.506 8.929 1.00 0.00 H new ATOM 0 HA CYS A 48 1.320 0.563 7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.304 -0.817 6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.328 -1.400 6.271 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.066 -1.042 9.518 1.00 0.00 H new ATOM 659 N HIS A 49 -0.647 2.676 6.314 1.00 0.00 N ATOM 660 CA HIS A 49 -1.092 3.571 5.205 1.00 0.00 C ATOM 661 C HIS A 49 -0.081 3.459 4.066 1.00 0.00 C ATOM 662 O HIS A 49 1.111 3.439 4.297 1.00 0.00 O ATOM 663 CB HIS A 49 -1.079 4.987 5.800 1.00 0.00 C ATOM 664 CG HIS A 49 -1.794 5.954 4.883 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.357 7.134 5.350 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.041 5.942 3.529 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.906 7.769 4.299 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.741 7.087 3.168 1.00 0.00 N ATOM 0 H HIS A 49 -0.681 3.084 7.248 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.077 3.318 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.560 4.981 6.778 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.051 5.314 5.952 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.355 7.461 6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.736 5.160 2.849 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.419 8.717 4.365 1.00 0.00 H new ATOM 676 N VAL A 50 -0.524 3.380 2.845 1.00 0.00 N ATOM 677 CA VAL A 50 0.446 3.269 1.732 1.00 0.00 C ATOM 678 C VAL A 50 -0.007 4.117 0.567 1.00 0.00 C ATOM 679 O VAL A 50 -1.175 4.396 0.393 1.00 0.00 O ATOM 680 CB VAL A 50 0.465 1.804 1.328 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.098 0.980 2.442 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.964 1.340 1.070 1.00 0.00 C ATOM 0 H VAL A 50 -1.507 3.388 2.574 1.00 0.00 H new ATOM 0 HA VAL A 50 1.436 3.613 2.032 1.00 0.00 H new ATOM 0 HB VAL A 50 1.052 1.674 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.112 -0.071 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.118 1.323 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.517 1.098 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.959 0.289 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.556 1.463 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.401 1.936 0.269 1.00 0.00 H new ATOM 692 N TYR A 51 0.922 4.508 -0.229 1.00 0.00 N ATOM 693 CA TYR A 51 0.607 5.342 -1.413 1.00 0.00 C ATOM 694 C TYR A 51 1.023 4.596 -2.675 1.00 0.00 C ATOM 695 O TYR A 51 2.162 4.216 -2.841 1.00 0.00 O ATOM 696 CB TYR A 51 1.438 6.609 -1.213 1.00 0.00 C ATOM 697 CG TYR A 51 0.683 7.621 -0.363 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.600 7.328 0.138 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.254 8.882 -0.110 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.300 8.287 0.875 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.549 9.837 0.637 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.729 9.541 1.123 1.00 0.00 C ATOM 703 OH TYR A 51 -1.426 10.481 1.851 1.00 0.00 O ATOM 0 H TYR A 51 1.911 4.284 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.453 5.572 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.384 6.357 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.679 7.048 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.044 6.361 -0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.237 9.115 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.285 8.060 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.993 10.801 0.837 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.796 11.103 2.271 1.00 0.00 H new ATOM 713 N VAL A 52 0.102 4.370 -3.558 1.00 0.00 N ATOM 714 CA VAL A 52 0.444 3.629 -4.809 1.00 0.00 C ATOM 715 C VAL A 52 0.627 4.623 -5.973 1.00 0.00 C ATOM 716 O VAL A 52 0.394 5.805 -5.821 1.00 0.00 O ATOM 717 CB VAL A 52 -0.749 2.692 -5.056 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.382 1.622 -6.092 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.127 1.997 -3.746 1.00 0.00 C ATOM 0 H VAL A 52 -0.872 4.662 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 52 1.376 3.070 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.586 3.283 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.237 0.966 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.108 2.103 -7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.460 1.035 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.973 1.332 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.278 1.418 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.400 2.746 -3.002 1.00 0.00 H new ATOM 729 N ASN A 53 1.036 4.163 -7.132 1.00 0.00 N ATOM 730 CA ASN A 53 1.218 5.097 -8.287 1.00 0.00 C ATOM 731 C ASN A 53 -0.053 5.097 -9.134 1.00 0.00 C ATOM 732 O ASN A 53 -0.629 4.058 -9.387 1.00 0.00 O ATOM 733 CB ASN A 53 2.363 4.501 -9.097 1.00 0.00 C ATOM 734 CG ASN A 53 1.916 3.148 -9.581 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.292 3.059 -10.616 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.170 2.096 -8.861 1.00 0.00 N ATOM 0 H ASN A 53 1.251 3.185 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 53 1.422 6.120 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.614 5.146 -9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.261 4.412 -8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.843 1.179 -9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.697 2.188 -7.992 1.00 0.00 H new ATOM 743 N GLU A 54 -0.495 6.242 -9.574 1.00 0.00 N ATOM 744 CA GLU A 54 -1.739 6.303 -10.405 1.00 0.00 C ATOM 745 C GLU A 54 -1.832 5.113 -11.374 1.00 0.00 C ATOM 746 O GLU A 54 -2.906 4.731 -11.793 1.00 0.00 O ATOM 747 CB GLU A 54 -1.624 7.613 -11.183 1.00 0.00 C ATOM 748 CG GLU A 54 -0.270 7.668 -11.894 1.00 0.00 C ATOM 749 CD GLU A 54 0.679 8.582 -11.118 1.00 0.00 C ATOM 750 OE1 GLU A 54 0.359 8.912 -9.988 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.710 8.937 -11.666 1.00 0.00 O ATOM 0 H GLU A 54 -0.050 7.142 -9.396 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.635 6.258 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.432 7.688 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.725 8.461 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.154 6.667 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.397 8.038 -12.911 1.00 0.00 H new ATOM 758 N ALA A 55 -0.722 4.533 -11.747 1.00 0.00 N ATOM 759 CA ALA A 55 -0.762 3.385 -12.702 1.00 0.00 C ATOM 760 C ALA A 55 -1.330 2.114 -12.047 1.00 0.00 C ATOM 761 O ALA A 55 -2.132 1.419 -12.638 1.00 0.00 O ATOM 762 CB ALA A 55 0.694 3.166 -13.112 1.00 0.00 C ATOM 0 H ALA A 55 0.210 4.804 -11.433 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.412 3.599 -13.551 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.753 2.336 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.079 4.070 -13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.290 2.936 -12.229 1.00 0.00 H new ATOM 768 N PHE A 56 -0.915 1.784 -10.851 1.00 0.00 N ATOM 769 CA PHE A 56 -1.436 0.535 -10.209 1.00 0.00 C ATOM 770 C PHE A 56 -2.567 0.834 -9.211 1.00 0.00 C ATOM 771 O PHE A 56 -3.220 -0.070 -8.733 1.00 0.00 O ATOM 772 CB PHE A 56 -0.236 -0.083 -9.482 1.00 0.00 C ATOM 773 CG PHE A 56 0.758 -0.636 -10.498 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.598 0.250 -11.196 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.847 -2.024 -10.767 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.502 -0.233 -12.145 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.754 -2.486 -11.706 1.00 0.00 C ATOM 778 CZ PHE A 56 2.579 -1.601 -12.401 1.00 0.00 C ATOM 0 H PHE A 56 -0.246 2.317 -10.295 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.860 -0.137 -10.955 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.248 0.668 -8.858 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.573 -0.880 -8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.544 1.310 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.210 -2.720 -10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.141 0.453 -12.680 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.824 -3.546 -11.903 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.276 -1.975 -13.136 1.00 0.00 H new ATOM 788 N THR A 57 -2.818 2.080 -8.888 1.00 0.00 N ATOM 789 CA THR A 57 -3.928 2.366 -7.917 1.00 0.00 C ATOM 790 C THR A 57 -5.272 2.319 -8.651 1.00 0.00 C ATOM 791 O THR A 57 -6.285 1.940 -8.097 1.00 0.00 O ATOM 792 CB THR A 57 -3.711 3.781 -7.345 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.517 4.701 -8.066 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.250 4.216 -7.445 1.00 0.00 C ATOM 0 H THR A 57 -2.318 2.895 -9.243 1.00 0.00 H new ATOM 0 HA THR A 57 -3.931 1.626 -7.116 1.00 0.00 H new ATOM 0 HB THR A 57 -3.988 3.764 -6.291 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.244 5.020 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.140 5.218 -7.031 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.624 3.521 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.942 4.219 -8.491 1.00 0.00 H new ATOM 802 N ASP A 58 -5.288 2.713 -9.896 1.00 0.00 N ATOM 803 CA ASP A 58 -6.565 2.699 -10.668 1.00 0.00 C ATOM 804 C ASP A 58 -6.912 1.266 -11.072 1.00 0.00 C ATOM 805 O ASP A 58 -8.062 0.920 -11.254 1.00 0.00 O ATOM 806 CB ASP A 58 -6.290 3.555 -11.904 1.00 0.00 C ATOM 807 CG ASP A 58 -5.374 2.792 -12.863 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.242 2.533 -12.490 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.823 2.478 -13.954 1.00 0.00 O ATOM 0 H ASP A 58 -4.473 3.044 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.406 3.082 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.227 3.805 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.824 4.496 -11.611 1.00 0.00 H new ATOM 814 N LYS A 59 -5.923 0.429 -11.208 1.00 0.00 N ATOM 815 CA LYS A 59 -6.186 -0.985 -11.596 1.00 0.00 C ATOM 816 C LYS A 59 -6.636 -1.783 -10.372 1.00 0.00 C ATOM 817 O LYS A 59 -7.671 -2.420 -10.378 1.00 0.00 O ATOM 818 CB LYS A 59 -4.846 -1.506 -12.107 1.00 0.00 C ATOM 819 CG LYS A 59 -4.370 -0.637 -13.274 1.00 0.00 C ATOM 820 CD LYS A 59 -5.501 -0.487 -14.293 1.00 0.00 C ATOM 821 CE LYS A 59 -5.959 -1.872 -14.756 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.772 -1.863 -16.234 1.00 0.00 N ATOM 0 H LYS A 59 -4.940 0.663 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.972 -1.074 -12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.108 -1.491 -11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.946 -2.543 -12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.062 0.343 -12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.498 -1.090 -13.746 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.336 0.054 -13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.160 0.099 -15.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.369 -2.660 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.001 -2.053 -14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.065 -2.781 -16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.351 -1.107 -16.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.770 -1.695 -16.456 1.00 0.00 H new ATOM 836 N VAL A 60 -5.864 -1.747 -9.320 1.00 0.00 N ATOM 837 CA VAL A 60 -6.231 -2.490 -8.092 1.00 0.00 C ATOM 838 C VAL A 60 -7.731 -2.354 -7.816 1.00 0.00 C ATOM 839 O VAL A 60 -8.388 -1.486 -8.356 1.00 0.00 O ATOM 840 CB VAL A 60 -5.421 -1.811 -6.992 1.00 0.00 C ATOM 841 CG1 VAL A 60 -3.942 -2.170 -7.139 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.588 -0.295 -7.095 1.00 0.00 C ATOM 0 H VAL A 60 -4.988 -1.228 -9.263 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.024 -3.558 -8.167 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.780 -2.153 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.369 -1.682 -6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.820 -3.250 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.581 -1.834 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.009 0.189 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.234 0.045 -8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.641 -0.036 -6.982 1.00 0.00 H new ATOM 852 N PRO A 61 -8.219 -3.221 -6.976 1.00 0.00 N ATOM 853 CA PRO A 61 -9.657 -3.212 -6.605 1.00 0.00 C ATOM 854 C PRO A 61 -10.042 -1.946 -5.857 1.00 0.00 C ATOM 855 O PRO A 61 -9.218 -1.219 -5.338 1.00 0.00 O ATOM 856 CB PRO A 61 -9.810 -4.440 -5.717 1.00 0.00 C ATOM 857 CG PRO A 61 -8.434 -4.700 -5.192 1.00 0.00 C ATOM 858 CD PRO A 61 -7.487 -4.288 -6.289 1.00 0.00 C ATOM 0 HA PRO A 61 -10.308 -3.234 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.516 -4.258 -4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.187 -5.293 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.249 -4.129 -4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.305 -5.753 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.537 -3.933 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.261 -5.118 -6.959 1.00 0.00 H new ATOM 866 N ALA A 62 -11.309 -1.694 -5.825 1.00 0.00 N ATOM 867 CA ALA A 62 -11.844 -0.493 -5.148 1.00 0.00 C ATOM 868 C ALA A 62 -11.947 -0.720 -3.641 1.00 0.00 C ATOM 869 O ALA A 62 -12.620 -1.622 -3.179 1.00 0.00 O ATOM 870 CB ALA A 62 -13.221 -0.319 -5.773 1.00 0.00 C ATOM 0 H ALA A 62 -12.019 -2.288 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.211 0.386 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.710 0.552 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.117 -0.178 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.823 -1.207 -5.580 1.00 0.00 H new ATOM 876 N ALA A 63 -11.291 0.096 -2.876 1.00 0.00 N ATOM 877 CA ALA A 63 -11.348 -0.054 -1.392 1.00 0.00 C ATOM 878 C ALA A 63 -12.746 0.320 -0.883 1.00 0.00 C ATOM 879 O ALA A 63 -13.450 1.097 -1.495 1.00 0.00 O ATOM 880 CB ALA A 63 -10.302 0.923 -0.857 1.00 0.00 C ATOM 0 H ALA A 63 -10.713 0.867 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.152 -1.076 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.281 0.874 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.321 0.658 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.557 1.936 -1.169 1.00 0.00 H new ATOM 886 N ASN A 64 -13.159 -0.236 0.226 1.00 0.00 N ATOM 887 CA ASN A 64 -14.518 0.083 0.757 1.00 0.00 C ATOM 888 C ASN A 64 -14.443 1.115 1.885 1.00 0.00 C ATOM 889 O ASN A 64 -13.399 1.661 2.179 1.00 0.00 O ATOM 890 CB ASN A 64 -15.055 -1.240 1.301 1.00 0.00 C ATOM 891 CG ASN A 64 -14.051 -1.821 2.302 1.00 0.00 C ATOM 892 OD1 ASN A 64 -12.920 -1.383 2.366 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.417 -2.797 3.090 1.00 0.00 N ATOM 0 H ASN A 64 -12.617 -0.895 0.785 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.156 0.509 -0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.019 -1.083 1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.219 -1.942 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.753 -3.190 3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.366 -3.166 3.038 1.00 0.00 H new ATOM 900 N GLU A 65 -15.554 1.371 2.525 1.00 0.00 N ATOM 901 CA GLU A 65 -15.574 2.353 3.645 1.00 0.00 C ATOM 902 C GLU A 65 -14.522 1.970 4.689 1.00 0.00 C ATOM 903 O GLU A 65 -14.111 2.778 5.497 1.00 0.00 O ATOM 904 CB GLU A 65 -16.987 2.248 4.224 1.00 0.00 C ATOM 905 CG GLU A 65 -17.094 1.014 5.126 1.00 0.00 C ATOM 906 CD GLU A 65 -16.976 1.440 6.591 1.00 0.00 C ATOM 907 OE1 GLU A 65 -15.860 1.513 7.077 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.004 1.686 7.200 1.00 0.00 O ATOM 0 H GLU A 65 -16.454 0.938 2.317 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.343 3.369 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.223 3.147 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.716 2.182 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.046 0.510 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.307 0.301 4.879 1.00 0.00 H new ATOM 915 N ARG A 66 -14.074 0.744 4.666 1.00 0.00 N ATOM 916 CA ARG A 66 -13.040 0.316 5.648 1.00 0.00 C ATOM 917 C ARG A 66 -11.758 1.095 5.398 1.00 0.00 C ATOM 918 O ARG A 66 -11.239 1.750 6.273 1.00 0.00 O ATOM 919 CB ARG A 66 -12.795 -1.165 5.364 1.00 0.00 C ATOM 920 CG ARG A 66 -13.064 -1.992 6.623 1.00 0.00 C ATOM 921 CD ARG A 66 -12.434 -1.311 7.840 1.00 0.00 C ATOM 922 NE ARG A 66 -11.636 -2.380 8.498 1.00 0.00 N ATOM 923 CZ ARG A 66 -11.379 -2.311 9.776 1.00 0.00 C ATOM 924 NH1 ARG A 66 -11.157 -1.154 10.334 1.00 0.00 N ATOM 925 NH2 ARG A 66 -11.346 -3.400 10.494 1.00 0.00 N ATOM 0 H ARG A 66 -14.379 0.023 4.012 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.355 0.489 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.443 -1.500 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.767 -1.315 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.138 -2.103 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.654 -2.995 6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.804 -0.472 7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.196 -0.915 8.511 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.289 -3.168 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.184 -0.303 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.956 -1.100 11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.521 -4.305 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.145 -3.347 11.493 1.00 0.00 H new ATOM 939 N GLU A 67 -11.255 1.030 4.198 1.00 0.00 N ATOM 940 CA GLU A 67 -10.004 1.752 3.852 1.00 0.00 C ATOM 941 C GLU A 67 -10.152 3.263 4.068 1.00 0.00 C ATOM 942 O GLU A 67 -9.214 4.006 3.907 1.00 0.00 O ATOM 943 CB GLU A 67 -9.804 1.438 2.369 1.00 0.00 C ATOM 944 CG GLU A 67 -8.665 2.285 1.807 1.00 0.00 C ATOM 945 CD GLU A 67 -9.224 3.322 0.829 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.422 3.316 0.607 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.443 4.106 0.316 1.00 0.00 O ATOM 0 H GLU A 67 -11.666 0.498 3.431 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.162 1.446 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.579 0.379 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.723 1.638 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.137 2.785 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.941 1.647 1.300 1.00 0.00 H new ATOM 954 N ILE A 68 -11.313 3.736 4.407 1.00 0.00 N ATOM 955 CA ILE A 68 -11.472 5.203 4.606 1.00 0.00 C ATOM 956 C ILE A 68 -11.220 5.604 6.071 1.00 0.00 C ATOM 957 O ILE A 68 -11.029 6.765 6.373 1.00 0.00 O ATOM 958 CB ILE A 68 -12.917 5.484 4.181 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.977 5.620 2.658 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.422 6.776 4.824 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.239 4.448 2.009 1.00 0.00 C ATOM 0 H ILE A 68 -12.154 3.178 4.555 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.752 5.782 4.028 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.548 4.658 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.015 5.639 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.526 6.563 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.450 6.960 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.384 6.681 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.792 7.609 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.283 4.546 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.198 4.450 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.710 3.511 2.308 1.00 0.00 H new ATOM 973 N GLY A 69 -11.227 4.669 6.986 1.00 0.00 N ATOM 974 CA GLY A 69 -10.996 5.033 8.421 1.00 0.00 C ATOM 975 C GLY A 69 -9.502 4.969 8.754 1.00 0.00 C ATOM 976 O GLY A 69 -8.819 5.975 8.768 1.00 0.00 O ATOM 0 H GLY A 69 -11.381 3.677 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.375 6.036 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.549 4.353 9.069 1.00 0.00 H new ATOM 980 N MET A 70 -8.987 3.800 9.042 1.00 0.00 N ATOM 981 CA MET A 70 -7.530 3.710 9.397 1.00 0.00 C ATOM 982 C MET A 70 -6.702 4.485 8.377 1.00 0.00 C ATOM 983 O MET A 70 -5.692 5.076 8.705 1.00 0.00 O ATOM 984 CB MET A 70 -7.082 2.232 9.342 1.00 0.00 C ATOM 985 CG MET A 70 -8.178 1.274 8.855 1.00 0.00 C ATOM 986 SD MET A 70 -8.726 1.699 7.186 1.00 0.00 S ATOM 987 CE MET A 70 -8.177 0.163 6.416 1.00 0.00 C ATOM 0 H MET A 70 -9.498 2.917 9.048 1.00 0.00 H new ATOM 0 HA MET A 70 -7.384 4.122 10.395 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.218 2.147 8.683 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.756 1.923 10.335 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.802 0.251 8.867 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.026 1.310 9.539 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.557 0.392 5.549 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.597 -0.417 7.134 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.045 -0.415 6.099 1.00 0.00 H new ATOM 997 N LEU A 71 -7.120 4.499 7.148 1.00 0.00 N ATOM 998 CA LEU A 71 -6.357 5.246 6.124 1.00 0.00 C ATOM 999 C LEU A 71 -6.416 6.733 6.471 1.00 0.00 C ATOM 1000 O LEU A 71 -5.507 7.492 6.197 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.098 4.924 4.829 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.245 5.247 3.597 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.170 5.532 2.416 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.378 6.480 3.849 1.00 0.00 C ATOM 0 H LEU A 71 -7.957 4.025 6.810 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.301 4.985 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.370 3.869 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.027 5.493 4.789 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.598 4.396 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.573 5.763 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.787 4.656 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.811 6.381 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.780 6.692 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.017 7.335 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.717 6.293 4.696 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.480 7.143 7.109 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.614 8.568 7.515 1.00 0.00 C ATOM 1018 C GLU A 72 -7.026 8.760 8.921 1.00 0.00 C ATOM 1019 O GLU A 72 -6.639 9.849 9.295 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.129 8.841 7.491 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.559 9.654 8.721 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.761 10.529 8.361 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.545 11.650 7.931 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.877 10.063 8.521 1.00 0.00 O ATOM 0 H GLU A 72 -8.266 6.546 7.367 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.079 9.254 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.391 9.383 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.672 7.896 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.817 8.984 9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.733 10.276 9.065 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.964 7.717 9.705 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.409 7.871 11.079 1.00 0.00 C ATOM 1033 C CYS A 73 -5.084 8.620 10.992 1.00 0.00 C ATOM 1034 O CYS A 73 -4.827 9.545 11.737 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.195 6.446 11.590 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.762 5.787 12.213 1.00 0.00 S ATOM 0 H CYS A 73 -7.270 6.776 9.457 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.065 8.432 11.744 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.816 5.814 10.787 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.446 6.441 12.381 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.581 4.574 12.646 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.258 8.248 10.060 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.962 8.967 9.890 1.00 0.00 C ATOM 1044 C VAL A 74 -3.155 10.116 8.899 1.00 0.00 C ATOM 1045 O VAL A 74 -2.843 10.001 7.730 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.938 7.951 9.352 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.235 7.265 10.521 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -2.622 6.889 8.488 1.00 0.00 C ATOM 0 H VAL A 74 -4.420 7.480 9.408 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.610 9.384 10.833 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.214 8.488 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.510 6.546 10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.721 8.012 11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.971 6.746 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.877 6.184 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.363 6.356 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.115 7.370 7.643 1.00 0.00 H new ATOM 1058 N THR A 75 -3.681 11.219 9.355 1.00 0.00 N ATOM 1059 CA THR A 75 -3.912 12.372 8.439 1.00 0.00 C ATOM 1060 C THR A 75 -2.661 12.648 7.602 1.00 0.00 C ATOM 1061 O THR A 75 -1.783 13.390 7.994 1.00 0.00 O ATOM 1062 CB THR A 75 -4.188 13.551 9.371 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.488 14.705 8.597 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.951 13.817 10.235 1.00 0.00 C ATOM 0 H THR A 75 -3.961 11.372 10.324 1.00 0.00 H new ATOM 0 HA THR A 75 -4.728 12.188 7.741 1.00 0.00 H new ATOM 0 HB THR A 75 -5.036 13.318 10.015 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.667 15.462 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.146 14.658 10.901 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.723 12.931 10.827 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.102 14.052 9.593 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.584 12.054 6.445 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.402 12.272 5.566 1.00 0.00 C ATOM 1074 C ALA A 76 -1.848 12.900 4.246 1.00 0.00 C ATOM 1075 O ALA A 76 -1.587 12.368 3.190 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.837 10.873 5.319 1.00 0.00 C ATOM 0 H ALA A 76 -3.292 11.424 6.068 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.666 12.940 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.041 10.943 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.555 10.421 6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.593 10.256 4.834 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.532 14.015 4.304 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.015 14.669 3.049 1.00 0.00 C ATOM 1084 C GLU A 77 -3.495 13.602 2.073 1.00 0.00 C ATOM 1085 O GLU A 77 -3.141 13.592 0.910 1.00 0.00 O ATOM 1086 CB GLU A 77 -1.825 15.466 2.494 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.751 14.525 1.932 1.00 0.00 C ATOM 1088 CD GLU A 77 0.287 14.226 3.015 1.00 0.00 C ATOM 1089 OE1 GLU A 77 0.569 15.118 3.799 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.782 13.112 3.042 1.00 0.00 O ATOM 0 H GLU A 77 -2.777 14.501 5.167 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.859 15.336 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.168 16.142 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.396 16.084 3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.209 13.598 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.269 14.982 1.068 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.307 12.708 2.573 1.00 0.00 N ATOM 1098 CA LEU A 78 -4.867 11.592 1.756 1.00 0.00 C ATOM 1099 C LEU A 78 -4.800 11.874 0.256 1.00 0.00 C ATOM 1100 O LEU A 78 -5.157 12.938 -0.209 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.313 11.507 2.209 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.651 10.050 2.510 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.876 9.590 3.745 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.147 9.922 2.770 1.00 0.00 C ATOM 0 H LEU A 78 -4.614 12.706 3.546 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.305 10.669 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.467 12.121 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.974 11.895 1.434 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.375 9.428 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.118 8.549 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.806 9.683 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.151 10.210 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.391 8.882 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.423 10.543 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.699 10.249 1.889 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.351 10.914 -0.501 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.262 11.101 -1.976 1.00 0.00 C ATOM 1118 C LYS A 79 -5.456 10.406 -2.632 1.00 0.00 C ATOM 1119 O LYS A 79 -6.174 9.674 -1.979 1.00 0.00 O ATOM 1120 CB LYS A 79 -2.952 10.420 -2.409 1.00 0.00 C ATOM 1121 CG LYS A 79 -1.852 10.622 -1.357 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.742 11.478 -1.951 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.792 12.864 -1.315 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.038 13.746 -2.249 1.00 0.00 N ATOM 0 H LYS A 79 -4.040 10.004 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.273 12.152 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.125 9.354 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.625 10.828 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.264 11.104 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.454 9.658 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.228 11.015 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.862 11.555 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.820 13.205 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.338 12.860 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.029 14.718 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.939 13.401 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.497 13.736 -3.182 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.627 10.636 -3.903 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.743 9.994 -4.635 1.00 0.00 C ATOM 1140 C PRO A 80 -6.491 8.490 -4.730 1.00 0.00 C ATOM 1141 O PRO A 80 -7.406 7.695 -4.816 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.695 10.649 -6.011 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.288 11.131 -6.157 1.00 0.00 C ATOM 1144 CD PRO A 80 -4.816 11.494 -4.775 1.00 0.00 C ATOM 0 HA PRO A 80 -7.713 10.118 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.953 9.938 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.405 11.473 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.656 10.357 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.240 11.993 -6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.750 11.301 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.976 12.551 -4.560 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.248 8.102 -4.717 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.912 6.653 -4.807 1.00 0.00 C ATOM 1154 C ASN A 81 -4.453 6.110 -3.446 1.00 0.00 C ATOM 1155 O ASN A 81 -4.207 4.929 -3.299 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.771 6.581 -5.819 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.643 7.519 -5.385 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.842 8.389 -4.561 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.456 7.379 -5.909 1.00 0.00 N ATOM 0 H ASN A 81 -4.446 8.728 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.772 6.054 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.400 5.559 -5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.131 6.861 -6.809 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.697 8.000 -5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.287 6.649 -6.601 1.00 0.00 H new ATOM 1166 N SER A 82 -4.324 6.950 -2.451 1.00 0.00 N ATOM 1167 CA SER A 82 -3.870 6.452 -1.117 1.00 0.00 C ATOM 1168 C SER A 82 -4.669 5.220 -0.690 1.00 0.00 C ATOM 1169 O SER A 82 -5.766 4.980 -1.154 1.00 0.00 O ATOM 1170 CB SER A 82 -4.152 7.599 -0.154 1.00 0.00 C ATOM 1171 OG SER A 82 -3.373 8.718 -0.533 1.00 0.00 O ATOM 0 H SER A 82 -4.512 7.951 -2.503 1.00 0.00 H new ATOM 0 HA SER A 82 -2.820 6.161 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.212 7.854 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.913 7.301 0.867 1.00 0.00 H new ATOM 0 HG SER A 82 -2.790 8.978 0.211 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.119 4.444 0.202 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.826 3.227 0.685 1.00 0.00 C ATOM 1179 C ARG A 83 -4.017 2.574 1.806 1.00 0.00 C ATOM 1180 O ARG A 83 -2.871 2.911 2.034 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.913 2.299 -0.529 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.382 2.011 -0.849 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.612 2.122 -2.358 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.762 0.718 -2.831 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.922 0.288 -3.247 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.523 0.892 -4.235 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.480 -0.743 -2.675 1.00 0.00 N ATOM 0 H ARG A 83 -3.202 4.603 0.620 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.814 3.452 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.427 2.761 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.385 1.367 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.651 1.013 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.024 2.715 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.503 2.710 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.774 2.616 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.957 0.091 -2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.086 1.699 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.430 0.557 -4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.010 -1.214 -1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.387 -1.078 -3.001 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.599 1.646 2.511 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.854 0.978 3.618 1.00 0.00 C ATOM 1203 C LEU A 84 -3.090 -0.234 3.089 1.00 0.00 C ATOM 1204 O LEU A 84 -3.547 -0.932 2.205 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.922 0.554 4.623 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.608 1.199 5.960 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.546 0.626 7.002 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.166 0.881 6.336 1.00 0.00 C ATOM 0 H LEU A 84 -5.555 1.320 2.371 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.115 1.638 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.910 0.860 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.940 -0.531 4.721 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.736 2.280 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.334 1.079 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.577 0.839 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.403 -0.453 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.931 1.340 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.039 -0.199 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.496 1.274 5.572 1.00 0.00 H new ATOM 1220 N SER A 85 -1.919 -0.487 3.616 1.00 0.00 N ATOM 1221 CA SER A 85 -1.131 -1.648 3.127 1.00 0.00 C ATOM 1222 C SER A 85 -2.015 -2.893 3.024 1.00 0.00 C ATOM 1223 O SER A 85 -1.842 -3.726 2.156 1.00 0.00 O ATOM 1224 CB SER A 85 -0.050 -1.897 4.148 1.00 0.00 C ATOM 1225 OG SER A 85 -0.563 -2.737 5.174 1.00 0.00 O ATOM 0 H SER A 85 -1.481 0.058 4.358 1.00 0.00 H new ATOM 0 HA SER A 85 -0.720 -1.440 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.813 -2.366 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.292 -0.953 4.571 1.00 0.00 H new ATOM 0 HG SER A 85 0.033 -3.505 5.296 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.934 -3.043 3.945 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.807 -4.257 3.957 1.00 0.00 C ATOM 1233 C CYS A 86 -5.126 -4.006 3.210 1.00 0.00 C ATOM 1234 O CYS A 86 -6.172 -4.487 3.599 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.018 -4.566 5.448 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.395 -4.444 6.262 1.00 0.00 S ATOM 0 H CYS A 86 -3.118 -2.374 4.692 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.357 -5.103 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.723 -3.862 5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.439 -5.563 5.578 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.076 -3.262 2.129 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.313 -2.987 1.345 1.00 0.00 C ATOM 1243 C GLN A 87 -6.153 -3.342 -0.131 1.00 0.00 C ATOM 1244 O GLN A 87 -7.038 -3.911 -0.738 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.586 -1.491 1.516 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.587 -1.274 2.656 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.842 -2.122 2.417 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.827 -1.641 1.895 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.841 -3.374 2.777 1.00 0.00 N ATOM 0 H GLN A 87 -4.227 -2.834 1.759 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.140 -3.600 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.656 -0.964 1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.981 -1.076 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.131 -1.544 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.856 -0.220 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.013 -3.778 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.668 -3.950 2.620 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.053 -3.002 -0.720 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.878 -3.321 -2.171 1.00 0.00 C ATOM 1260 C ILE A 88 -4.375 -4.749 -2.348 1.00 0.00 C ATOM 1261 O ILE A 88 -3.642 -5.275 -1.533 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.846 -2.342 -2.749 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.756 -1.063 -1.903 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.262 -1.970 -4.173 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.974 0.008 -2.674 1.00 0.00 C ATOM 0 H ILE A 88 -4.270 -2.523 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.834 -3.228 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.869 -2.825 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.756 -0.699 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.263 -1.276 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.536 -1.275 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.301 -2.870 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.245 -1.500 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.911 0.915 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.969 -0.357 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.486 0.228 -3.611 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.764 -5.371 -3.419 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.323 -6.762 -3.689 1.00 0.00 C ATOM 1279 C ILE A 89 -3.369 -6.780 -4.885 1.00 0.00 C ATOM 1280 O ILE A 89 -3.288 -5.833 -5.642 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.609 -7.523 -4.013 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.391 -7.795 -2.724 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.259 -8.846 -4.687 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.450 -8.355 -1.655 1.00 0.00 C ATOM 0 H ILE A 89 -5.377 -4.970 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.790 -7.205 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.224 -6.923 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.854 -6.875 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.197 -8.503 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.175 -9.390 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.710 -8.651 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.642 -9.444 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.011 -8.547 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.008 -9.285 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.660 -7.632 -1.451 1.00 0.00 H new ATOM 1296 N MET A 90 -2.649 -7.850 -5.061 1.00 0.00 N ATOM 1297 CA MET A 90 -1.705 -7.931 -6.208 1.00 0.00 C ATOM 1298 C MET A 90 -2.211 -8.945 -7.231 1.00 0.00 C ATOM 1299 O MET A 90 -1.854 -10.106 -7.205 1.00 0.00 O ATOM 1300 CB MET A 90 -0.387 -8.398 -5.602 1.00 0.00 C ATOM 1301 CG MET A 90 0.784 -7.655 -6.251 1.00 0.00 C ATOM 1302 SD MET A 90 0.545 -5.869 -6.088 1.00 0.00 S ATOM 1303 CE MET A 90 0.254 -5.526 -7.841 1.00 0.00 C ATOM 0 H MET A 90 -2.673 -8.673 -4.459 1.00 0.00 H new ATOM 0 HA MET A 90 -1.600 -6.978 -6.727 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.389 -8.220 -4.527 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.271 -9.472 -5.747 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.721 -7.950 -5.778 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.860 -7.926 -7.304 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.290 -4.587 -7.943 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.209 -5.450 -8.360 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.333 -6.334 -8.277 1.00 0.00 H new ATOM 1313 N THR A 91 -3.040 -8.511 -8.131 1.00 0.00 N ATOM 1314 CA THR A 91 -3.575 -9.441 -9.164 1.00 0.00 C ATOM 1315 C THR A 91 -2.466 -9.820 -10.146 1.00 0.00 C ATOM 1316 O THR A 91 -1.446 -9.165 -10.212 1.00 0.00 O ATOM 1317 CB THR A 91 -4.679 -8.655 -9.872 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.301 -7.289 -9.961 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.982 -8.775 -9.081 1.00 0.00 C ATOM 0 H THR A 91 -3.373 -7.549 -8.199 1.00 0.00 H new ATOM 0 HA THR A 91 -3.953 -10.369 -8.735 1.00 0.00 H new ATOM 0 HB THR A 91 -4.827 -9.058 -10.874 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.082 -6.722 -9.792 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.768 -8.214 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.271 -9.824 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.837 -8.373 -8.078 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.705 -10.868 -10.881 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.714 -11.340 -11.871 1.00 0.00 C ATOM 1329 C PRO A 92 -1.746 -10.448 -13.116 1.00 0.00 C ATOM 1330 O PRO A 92 -1.010 -10.656 -14.061 1.00 0.00 O ATOM 1331 CB PRO A 92 -2.167 -12.761 -12.184 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.630 -12.797 -11.863 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.911 -11.700 -10.864 1.00 0.00 C ATOM 0 HA PRO A 92 -0.686 -11.308 -11.509 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.989 -13.008 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.617 -13.488 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.223 -12.652 -12.766 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.907 -13.768 -11.452 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.794 -11.125 -11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.098 -12.107 -9.870 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.583 -9.448 -13.114 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.657 -8.527 -14.284 1.00 0.00 C ATOM 1343 C GLU A 93 -2.089 -7.160 -13.894 1.00 0.00 C ATOM 1344 O GLU A 93 -1.684 -6.379 -14.732 1.00 0.00 O ATOM 1345 CB GLU A 93 -4.145 -8.422 -14.618 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.880 -7.720 -13.474 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.382 -7.709 -13.763 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.758 -8.102 -14.855 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -7.130 -7.307 -12.887 1.00 0.00 O ATOM 0 H GLU A 93 -3.222 -9.228 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.082 -8.885 -15.138 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.281 -7.867 -15.546 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.563 -9.416 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.684 -8.233 -12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.513 -6.700 -13.364 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.053 -6.871 -12.619 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.509 -5.562 -12.157 1.00 0.00 C ATOM 1358 C LEU A 94 -0.120 -5.757 -11.580 1.00 0.00 C ATOM 1359 O LEU A 94 0.116 -5.548 -10.407 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.471 -5.095 -11.075 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.890 -5.044 -11.642 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.752 -4.140 -10.759 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.848 -4.489 -13.072 1.00 0.00 C ATOM 0 H LEU A 94 -2.379 -7.489 -11.876 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.425 -4.837 -12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.433 -5.773 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.177 -4.110 -10.713 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.317 -6.047 -11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.765 -4.100 -11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.778 -4.539 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.328 -3.136 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.859 -4.452 -13.478 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.425 -3.485 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.230 -5.136 -13.695 1.00 0.00 H new ATOM 1375 N ASP A 95 0.795 -6.180 -12.389 1.00 0.00 N ATOM 1376 CA ASP A 95 2.166 -6.417 -11.871 1.00 0.00 C ATOM 1377 C ASP A 95 3.102 -5.260 -12.216 1.00 0.00 C ATOM 1378 O ASP A 95 2.947 -4.586 -13.216 1.00 0.00 O ATOM 1379 CB ASP A 95 2.597 -7.754 -12.496 1.00 0.00 C ATOM 1380 CG ASP A 95 3.923 -7.617 -13.254 1.00 0.00 C ATOM 1381 OD1 ASP A 95 3.926 -6.978 -14.293 1.00 0.00 O ATOM 1382 OD2 ASP A 95 4.912 -8.155 -12.782 1.00 0.00 O ATOM 0 H ASP A 95 0.660 -6.372 -13.381 1.00 0.00 H new ATOM 0 HA ASP A 95 2.200 -6.470 -10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.700 -8.506 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.822 -8.106 -13.177 1.00 0.00 H new ATOM 1387 N GLY A 96 4.040 -5.002 -11.350 1.00 0.00 N ATOM 1388 CA GLY A 96 4.955 -3.851 -11.552 1.00 0.00 C ATOM 1389 C GLY A 96 4.441 -2.750 -10.643 1.00 0.00 C ATOM 1390 O GLY A 96 4.614 -1.573 -10.891 1.00 0.00 O ATOM 0 H GLY A 96 4.212 -5.545 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.981 -4.118 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.955 -3.530 -12.594 1.00 0.00 H new ATOM 1394 N ILE A 97 3.745 -3.145 -9.614 1.00 0.00 N ATOM 1395 CA ILE A 97 3.125 -2.162 -8.704 1.00 0.00 C ATOM 1396 C ILE A 97 4.148 -1.319 -7.949 1.00 0.00 C ATOM 1397 O ILE A 97 4.989 -1.804 -7.220 1.00 0.00 O ATOM 1398 CB ILE A 97 2.244 -3.006 -7.769 1.00 0.00 C ATOM 1399 CG1 ILE A 97 0.910 -2.301 -7.543 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.908 -3.241 -6.412 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.154 -0.837 -7.180 1.00 0.00 C ATOM 0 H ILE A 97 3.581 -4.121 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 97 2.544 -1.419 -9.250 1.00 0.00 H new ATOM 0 HB ILE A 97 2.094 -3.972 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.297 -2.365 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.357 -2.796 -6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.250 -3.842 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.852 -3.767 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.096 -2.283 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.198 -0.338 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.749 -0.782 -6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.689 -0.345 -7.993 1.00 0.00 H new ATOM 1413 N VAL A 98 4.040 -0.041 -8.120 1.00 0.00 N ATOM 1414 CA VAL A 98 4.946 0.905 -7.419 1.00 0.00 C ATOM 1415 C VAL A 98 4.218 1.453 -6.189 1.00 0.00 C ATOM 1416 O VAL A 98 3.209 2.118 -6.309 1.00 0.00 O ATOM 1417 CB VAL A 98 5.210 2.030 -8.423 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.426 2.842 -7.972 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.486 1.429 -9.804 1.00 0.00 C ATOM 0 H VAL A 98 3.350 0.401 -8.727 1.00 0.00 H new ATOM 0 HA VAL A 98 5.875 0.441 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 98 4.336 2.680 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.614 3.643 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.233 3.271 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.299 2.191 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.674 2.230 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.359 0.779 -9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.622 0.849 -10.128 1.00 0.00 H new ATOM 1429 N VAL A 99 4.701 1.175 -5.013 1.00 0.00 N ATOM 1430 CA VAL A 99 3.998 1.687 -3.798 1.00 0.00 C ATOM 1431 C VAL A 99 4.746 2.849 -3.212 1.00 0.00 C ATOM 1432 O VAL A 99 5.761 3.284 -3.709 1.00 0.00 O ATOM 1433 CB VAL A 99 4.031 0.581 -2.744 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.795 0.667 -1.853 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.090 -0.776 -3.394 1.00 0.00 C ATOM 0 H VAL A 99 5.541 0.623 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 99 2.986 1.986 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 99 4.926 0.718 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.829 -0.126 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.773 1.636 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.899 0.553 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.113 -1.547 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.211 -0.917 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.989 -0.848 -4.006 1.00 0.00 H new ATOM 1445 N ASP A 100 4.261 3.307 -2.116 1.00 0.00 N ATOM 1446 CA ASP A 100 4.940 4.400 -1.406 1.00 0.00 C ATOM 1447 C ASP A 100 4.443 4.446 0.029 1.00 0.00 C ATOM 1448 O ASP A 100 3.269 4.291 0.294 1.00 0.00 O ATOM 1449 CB ASP A 100 4.587 5.694 -2.133 1.00 0.00 C ATOM 1450 CG ASP A 100 5.371 5.789 -3.443 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.543 6.122 -3.385 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.787 5.526 -4.481 1.00 0.00 O ATOM 0 H ASP A 100 3.408 2.967 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 100 6.021 4.257 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.517 5.726 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.816 6.551 -1.499 1.00 0.00 H new ATOM 1457 N VAL A 101 5.309 4.678 0.955 1.00 0.00 N ATOM 1458 CA VAL A 101 4.845 4.753 2.372 1.00 0.00 C ATOM 1459 C VAL A 101 4.611 6.218 2.747 1.00 0.00 C ATOM 1460 O VAL A 101 5.543 6.983 2.890 1.00 0.00 O ATOM 1461 CB VAL A 101 5.950 4.135 3.228 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.401 3.851 4.628 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.410 2.815 2.603 1.00 0.00 C ATOM 0 H VAL A 101 6.308 4.819 0.808 1.00 0.00 H new ATOM 0 HA VAL A 101 3.908 4.218 2.525 1.00 0.00 H new ATOM 0 HB VAL A 101 6.790 4.827 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.185 3.410 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.064 4.783 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.563 3.158 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.198 2.377 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.568 2.125 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.792 3.001 1.599 1.00 0.00 H new ATOM 1473 N PRO A 102 3.358 6.558 2.873 1.00 0.00 N ATOM 1474 CA PRO A 102 2.963 7.950 3.212 1.00 0.00 C ATOM 1475 C PRO A 102 3.383 8.305 4.646 1.00 0.00 C ATOM 1476 O PRO A 102 2.651 8.072 5.587 1.00 0.00 O ATOM 1477 CB PRO A 102 1.441 7.920 3.103 1.00 0.00 C ATOM 1478 CG PRO A 102 1.074 6.489 3.314 1.00 0.00 C ATOM 1479 CD PRO A 102 2.193 5.682 2.721 1.00 0.00 C ATOM 0 HA PRO A 102 3.431 8.691 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.978 8.562 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.107 8.275 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.954 6.269 4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.125 6.254 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.329 4.737 3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.005 5.441 1.675 1.00 0.00 H new