USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 33 GLN : amide:sc= 1.01 K(o=3.3,f=-8!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -100:sc= 2.32 (180deg=-0.191) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.575 K(o=0.58,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.717 K(o=0.72,f=-3.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 110:sc= -0.226 USER MOD Single : A 50 THR OG1 : rot 76:sc= -0.0962 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.15) USER MOD Single : A 59 SER OG : rot -42:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.428) USER MOD Single : A 72 SER OG : rot -43:sc= 0.591 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.217 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 86 HIS : no HE2:sc= 0.797 K(o=0.8,f=-3!) USER MOD Single : A 88 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 91 MET CE :methyl -144:sc= 0 (180deg=-0.519) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -42:sc= 1.13 USER MOD Single : A 111 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl -127:sc= -1.17 (180deg=-2) USER MOD Single : A 117 HIS : no HE2:sc= 1.28 K(o=1.3,f=-4.5!) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.17) USER MOD Single : A 120 MET CE :methyl -140:sc= -0.236 (180deg=-0.892) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 9.061 16.703 5.384 1.00 0.00 N ATOM 2 CA GLY A 26 9.132 15.253 5.744 1.00 0.00 C ATOM 3 C GLY A 26 7.775 14.576 5.676 1.00 0.00 C ATOM 4 O GLY A 26 7.659 13.358 5.827 1.00 0.00 O ATOM 0 HA2 GLY A 26 9.822 14.747 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.537 15.150 6.751 1.00 0.00 H new ATOM 7 N ALA A 27 6.746 15.383 5.449 1.00 0.00 N ATOM 8 CA ALA A 27 5.375 14.884 5.354 1.00 0.00 C ATOM 9 C ALA A 27 4.831 15.016 3.931 1.00 0.00 C ATOM 10 O ALA A 27 3.675 14.677 3.662 1.00 0.00 O ATOM 11 CB ALA A 27 4.478 15.624 6.337 1.00 0.00 C ATOM 0 H ALA A 27 6.834 16.392 5.326 1.00 0.00 H new ATOM 0 HA ALA A 27 5.383 13.824 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.460 15.244 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.845 15.469 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.487 16.689 6.107 1.00 0.00 H new ATOM 17 N MET A 28 5.673 15.491 3.015 1.00 0.00 N ATOM 18 CA MET A 28 5.273 15.668 1.617 1.00 0.00 C ATOM 19 C MET A 28 5.386 14.359 0.827 1.00 0.00 C ATOM 20 O MET A 28 5.999 14.313 -0.241 1.00 0.00 O ATOM 21 CB MET A 28 6.130 16.753 0.960 1.00 0.00 C ATOM 22 CG MET A 28 5.493 18.133 0.986 1.00 0.00 C ATOM 23 SD MET A 28 6.519 19.388 0.197 1.00 0.00 S ATOM 24 CE MET A 28 7.540 19.908 1.573 1.00 0.00 C ATOM 0 H MET A 28 6.636 15.761 3.214 1.00 0.00 H new ATOM 0 HA MET A 28 4.227 15.975 1.606 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.094 16.798 1.466 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.326 16.472 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.526 18.092 0.484 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.304 18.422 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.229 20.684 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.906 20.301 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.107 19.056 1.948 1.00 0.00 H new ATOM 34 N GLY A 29 4.778 13.301 1.356 1.00 0.00 N ATOM 35 CA GLY A 29 4.818 12.006 0.697 1.00 0.00 C ATOM 36 C GLY A 29 5.964 11.132 1.175 1.00 0.00 C ATOM 37 O GLY A 29 6.938 11.620 1.747 1.00 0.00 O ATOM 0 H GLY A 29 4.256 13.317 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.875 11.487 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.906 12.155 -0.379 1.00 0.00 H new ATOM 41 N GLN A 30 5.843 9.831 0.941 1.00 0.00 N ATOM 42 CA GLN A 30 6.874 8.880 1.352 1.00 0.00 C ATOM 43 C GLN A 30 7.375 8.057 0.164 1.00 0.00 C ATOM 44 O GLN A 30 6.587 7.481 -0.588 1.00 0.00 O ATOM 45 CB GLN A 30 6.335 7.948 2.439 1.00 0.00 C ATOM 46 CG GLN A 30 6.213 8.608 3.803 1.00 0.00 C ATOM 47 CD GLN A 30 6.923 7.831 4.897 1.00 0.00 C ATOM 48 OE1 GLN A 30 6.642 6.658 5.125 1.00 0.00 O ATOM 49 NE2 GLN A 30 7.847 8.485 5.582 1.00 0.00 N ATOM 0 H GLN A 30 5.043 9.409 0.470 1.00 0.00 H new ATOM 0 HA GLN A 30 7.713 9.450 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.356 7.578 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.992 7.082 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.626 9.616 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.159 8.708 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.051 9.460 5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.355 8.014 6.331 1.00 0.00 H new ATOM 58 N LYS A 31 8.690 8.007 0.002 1.00 0.00 N ATOM 59 CA LYS A 31 9.297 7.248 -1.084 1.00 0.00 C ATOM 60 C LYS A 31 9.584 5.816 -0.647 1.00 0.00 C ATOM 61 O LYS A 31 10.189 5.583 0.399 1.00 0.00 O ATOM 62 CB LYS A 31 10.582 7.921 -1.558 1.00 0.00 C ATOM 63 CG LYS A 31 10.512 8.394 -2.997 1.00 0.00 C ATOM 64 CD LYS A 31 11.671 9.310 -3.343 1.00 0.00 C ATOM 65 CE LYS A 31 12.921 8.509 -3.655 1.00 0.00 C ATOM 66 NZ LYS A 31 14.126 9.375 -3.768 1.00 0.00 N ATOM 0 H LYS A 31 9.358 8.483 0.609 1.00 0.00 H new ATOM 0 HA LYS A 31 8.591 7.222 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.798 8.772 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.411 7.222 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.518 7.532 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.571 8.919 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.407 9.928 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.866 9.986 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.080 7.767 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.778 7.963 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.957 8.787 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.986 10.067 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.279 9.877 -2.870 1.00 0.00 H new ATOM 80 N ALA A 32 9.137 4.863 -1.453 1.00 0.00 N ATOM 81 CA ALA A 32 9.338 3.448 -1.151 1.00 0.00 C ATOM 82 C ALA A 32 10.793 3.027 -1.364 1.00 0.00 C ATOM 83 O ALA A 32 11.493 3.566 -2.224 1.00 0.00 O ATOM 84 CB ALA A 32 8.411 2.595 -1.997 1.00 0.00 C ATOM 0 H ALA A 32 8.633 5.041 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 32 9.102 3.295 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.570 1.542 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.376 2.862 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.620 2.767 -3.053 1.00 0.00 H new ATOM 90 N GLN A 33 11.239 2.051 -0.579 1.00 0.00 N ATOM 91 CA GLN A 33 12.608 1.558 -0.677 1.00 0.00 C ATOM 92 C GLN A 33 12.786 0.685 -1.920 1.00 0.00 C ATOM 93 O GLN A 33 11.920 -0.126 -2.261 1.00 0.00 O ATOM 94 CB GLN A 33 12.996 0.782 0.591 1.00 0.00 C ATOM 95 CG GLN A 33 12.321 -0.575 0.726 1.00 0.00 C ATOM 96 CD GLN A 33 12.372 -1.126 2.139 1.00 0.00 C ATOM 97 OE1 GLN A 33 12.910 -2.205 2.380 1.00 0.00 O ATOM 98 NE2 GLN A 33 11.804 -0.394 3.084 1.00 0.00 N ATOM 0 H GLN A 33 10.673 1.587 0.131 1.00 0.00 H new ATOM 0 HA GLN A 33 13.272 2.418 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.077 0.640 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.748 1.387 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.280 -0.490 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.801 -1.282 0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.367 0.496 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.803 -0.720 4.050 1.00 0.00 H new ATOM 107 N GLN A 34 13.906 0.869 -2.606 1.00 0.00 N ATOM 108 CA GLN A 34 14.197 0.103 -3.812 1.00 0.00 C ATOM 109 C GLN A 34 15.110 -1.080 -3.498 1.00 0.00 C ATOM 110 O GLN A 34 16.269 -0.904 -3.120 1.00 0.00 O ATOM 111 CB GLN A 34 14.840 1.008 -4.868 1.00 0.00 C ATOM 112 CG GLN A 34 13.949 2.160 -5.307 1.00 0.00 C ATOM 113 CD GLN A 34 14.480 3.513 -4.872 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.511 3.972 -5.353 1.00 0.00 O ATOM 115 NE2 GLN A 34 13.778 4.162 -3.954 1.00 0.00 N ATOM 0 H GLN A 34 14.628 1.542 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 34 13.259 -0.288 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.771 1.411 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.099 0.407 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.852 2.145 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.950 2.018 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.925 3.748 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.090 5.075 -3.624 1.00 0.00 H new ATOM 124 N LYS A 35 14.574 -2.286 -3.647 1.00 0.00 N ATOM 125 CA LYS A 35 15.331 -3.505 -3.375 1.00 0.00 C ATOM 126 C LYS A 35 15.953 -4.074 -4.656 1.00 0.00 C ATOM 127 O LYS A 35 16.168 -3.354 -5.631 1.00 0.00 O ATOM 128 CB LYS A 35 14.427 -4.553 -2.714 1.00 0.00 C ATOM 129 CG LYS A 35 13.493 -3.979 -1.657 1.00 0.00 C ATOM 130 CD LYS A 35 14.043 -4.178 -0.254 1.00 0.00 C ATOM 131 CE LYS A 35 13.294 -5.271 0.493 1.00 0.00 C ATOM 132 NZ LYS A 35 13.000 -4.885 1.901 1.00 0.00 N ATOM 0 H LYS A 35 13.615 -2.447 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 35 16.142 -3.251 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.832 -5.043 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.051 -5.321 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.344 -2.915 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.516 -4.456 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.101 -4.435 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.971 -3.243 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.360 -5.490 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.885 -6.187 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.695 -5.329 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.055 -3.851 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.044 -5.206 2.156 1.00 0.00 H new ATOM 146 N ASN A 36 16.231 -5.377 -4.652 1.00 0.00 N ATOM 147 CA ASN A 36 16.842 -6.037 -5.805 1.00 0.00 C ATOM 148 C ASN A 36 15.812 -6.399 -6.881 1.00 0.00 C ATOM 149 O ASN A 36 15.380 -7.547 -6.979 1.00 0.00 O ATOM 150 CB ASN A 36 17.587 -7.296 -5.352 1.00 0.00 C ATOM 151 CG ASN A 36 18.969 -7.403 -5.968 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.376 -6.563 -6.763 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.702 -8.442 -5.600 1.00 0.00 N ATOM 0 H ASN A 36 16.043 -5.996 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 36 17.544 -5.331 -6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.676 -7.291 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.003 -8.177 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.640 -8.565 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.328 -9.120 -4.936 1.00 0.00 H new ATOM 160 N GLY A 37 15.418 -5.410 -7.680 1.00 0.00 N ATOM 161 CA GLY A 37 14.462 -5.653 -8.752 1.00 0.00 C ATOM 162 C GLY A 37 13.021 -5.318 -8.394 1.00 0.00 C ATOM 163 O GLY A 37 12.154 -5.302 -9.265 1.00 0.00 O ATOM 0 H GLY A 37 15.742 -4.446 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.754 -5.066 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.518 -6.702 -9.042 1.00 0.00 H new ATOM 167 N TYR A 38 12.761 -5.047 -7.118 1.00 0.00 N ATOM 168 CA TYR A 38 11.407 -4.721 -6.667 1.00 0.00 C ATOM 169 C TYR A 38 11.429 -3.632 -5.594 1.00 0.00 C ATOM 170 O TYR A 38 12.473 -3.344 -5.015 1.00 0.00 O ATOM 171 CB TYR A 38 10.698 -5.981 -6.142 1.00 0.00 C ATOM 172 CG TYR A 38 11.314 -6.582 -4.895 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.478 -7.341 -4.962 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.723 -6.401 -3.649 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.035 -7.897 -3.826 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.274 -6.955 -2.510 1.00 0.00 C ATOM 177 CZ TYR A 38 12.429 -7.702 -2.604 1.00 0.00 C ATOM 178 OH TYR A 38 12.981 -8.255 -1.470 1.00 0.00 O ATOM 0 H TYR A 38 13.465 -5.046 -6.380 1.00 0.00 H new ATOM 0 HA TYR A 38 10.850 -4.338 -7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.657 -5.735 -5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.696 -6.735 -6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.955 -7.498 -5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.818 -5.817 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.941 -8.481 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.802 -6.804 -1.550 1.00 0.00 H new ATOM 0 HH TYR A 38 12.432 -8.022 -0.692 1.00 0.00 H new ATOM 188 N GLN A 39 10.276 -3.021 -5.340 1.00 0.00 N ATOM 189 CA GLN A 39 10.183 -1.963 -4.332 1.00 0.00 C ATOM 190 C GLN A 39 9.308 -2.396 -3.156 1.00 0.00 C ATOM 191 O GLN A 39 8.436 -3.256 -3.296 1.00 0.00 O ATOM 192 CB GLN A 39 9.631 -0.668 -4.938 1.00 0.00 C ATOM 193 CG GLN A 39 9.730 -0.598 -6.453 1.00 0.00 C ATOM 194 CD GLN A 39 10.251 0.739 -6.942 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.537 1.737 -6.934 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.500 0.765 -7.378 1.00 0.00 N ATOM 0 H GLN A 39 9.398 -3.236 -5.812 1.00 0.00 H new ATOM 0 HA GLN A 39 11.193 -1.776 -3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.586 -0.561 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.169 0.178 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.388 -1.392 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.747 -0.781 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.061 -0.087 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.901 1.637 -7.724 1.00 0.00 H new ATOM 205 N GLU A 40 9.542 -1.784 -2.000 1.00 0.00 N ATOM 206 CA GLU A 40 8.789 -2.112 -0.790 1.00 0.00 C ATOM 207 C GLU A 40 8.551 -0.869 0.072 1.00 0.00 C ATOM 208 O GLU A 40 9.406 0.010 0.168 1.00 0.00 O ATOM 209 CB GLU A 40 9.552 -3.171 0.014 1.00 0.00 C ATOM 210 CG GLU A 40 8.746 -3.815 1.129 1.00 0.00 C ATOM 211 CD GLU A 40 9.603 -4.176 2.329 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.259 -5.244 2.296 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.629 -3.391 3.301 1.00 0.00 O ATOM 0 H GLU A 40 10.247 -1.058 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 40 7.816 -2.504 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.894 -3.950 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.442 -2.711 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.955 -3.133 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.260 -4.714 0.750 1.00 0.00 H new ATOM 220 N ILE A 41 7.382 -0.795 0.695 1.00 0.00 N ATOM 221 CA ILE A 41 7.049 0.341 1.557 1.00 0.00 C ATOM 222 C ILE A 41 6.236 -0.104 2.775 1.00 0.00 C ATOM 223 O ILE A 41 5.243 -0.822 2.649 1.00 0.00 O ATOM 224 CB ILE A 41 6.279 1.448 0.786 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.690 2.478 1.752 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.180 0.845 -0.075 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.327 3.849 1.650 1.00 0.00 C ATOM 0 H ILE A 41 6.650 -1.501 0.623 1.00 0.00 H new ATOM 0 HA ILE A 41 7.995 0.760 1.899 1.00 0.00 H new ATOM 0 HB ILE A 41 6.990 1.955 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.621 2.570 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.802 2.111 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.655 1.640 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.620 0.157 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.476 0.305 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.856 4.523 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.392 3.773 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.192 4.239 0.641 1.00 0.00 H new ATOM 239 N ARG A 42 6.679 0.314 3.958 1.00 0.00 N ATOM 240 CA ARG A 42 5.998 -0.028 5.202 1.00 0.00 C ATOM 241 C ARG A 42 4.918 0.999 5.542 1.00 0.00 C ATOM 242 O ARG A 42 5.214 2.123 5.949 1.00 0.00 O ATOM 243 CB ARG A 42 7.004 -0.127 6.351 1.00 0.00 C ATOM 244 CG ARG A 42 6.855 -1.390 7.185 1.00 0.00 C ATOM 245 CD ARG A 42 8.206 -1.908 7.654 1.00 0.00 C ATOM 246 NE ARG A 42 9.056 -2.303 6.534 1.00 0.00 N ATOM 247 CZ ARG A 42 10.378 -2.332 6.582 1.00 0.00 C ATOM 248 NH1 ARG A 42 11.014 -2.000 7.679 1.00 0.00 N ATOM 249 NH2 ARG A 42 11.063 -2.697 5.527 1.00 0.00 N ATOM 0 H ARG A 42 7.510 0.892 4.080 1.00 0.00 H new ATOM 0 HA ARG A 42 5.517 -0.996 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.014 -0.089 5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.889 0.742 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.222 -1.185 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.353 -2.159 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.709 -1.136 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.058 -2.761 8.316 1.00 0.00 H new ATOM 0 HE ARG A 42 8.603 -2.573 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.490 -1.716 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.033 -2.026 7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.577 -2.959 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.082 -2.720 5.563 1.00 0.00 H new ATOM 263 N VAL A 43 3.667 0.600 5.373 1.00 0.00 N ATOM 264 CA VAL A 43 2.531 1.467 5.658 1.00 0.00 C ATOM 265 C VAL A 43 1.924 1.124 7.018 1.00 0.00 C ATOM 266 O VAL A 43 1.210 0.128 7.163 1.00 0.00 O ATOM 267 CB VAL A 43 1.456 1.355 4.551 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.307 2.322 4.795 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.078 1.612 3.189 1.00 0.00 C ATOM 0 H VAL A 43 3.410 -0.328 5.037 1.00 0.00 H new ATOM 0 HA VAL A 43 2.891 2.495 5.682 1.00 0.00 H new ATOM 0 HB VAL A 43 1.053 0.342 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.431 2.218 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.159 2.098 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.687 3.343 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.312 1.530 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.508 2.613 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.861 0.877 3.002 1.00 0.00 H new ATOM 279 N GLU A 44 2.233 1.944 8.017 1.00 0.00 N ATOM 280 CA GLU A 44 1.721 1.730 9.368 1.00 0.00 C ATOM 281 C GLU A 44 0.237 2.093 9.448 1.00 0.00 C ATOM 282 O GLU A 44 -0.150 3.240 9.210 1.00 0.00 O ATOM 283 CB GLU A 44 2.525 2.540 10.388 1.00 0.00 C ATOM 284 CG GLU A 44 2.214 2.181 11.836 1.00 0.00 C ATOM 285 CD GLU A 44 3.192 1.178 12.425 1.00 0.00 C ATOM 286 OE1 GLU A 44 3.800 0.410 11.648 1.00 0.00 O ATOM 287 OE2 GLU A 44 3.345 1.156 13.668 1.00 0.00 O ATOM 0 H GLU A 44 2.834 2.762 7.918 1.00 0.00 H new ATOM 0 HA GLU A 44 1.830 0.672 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.588 2.386 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.326 3.601 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.226 3.089 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.205 1.773 11.894 1.00 0.00 H new ATOM 294 N VAL A 45 -0.576 1.103 9.796 1.00 0.00 N ATOM 295 CA VAL A 45 -2.020 1.274 9.892 1.00 0.00 C ATOM 296 C VAL A 45 -2.465 1.496 11.343 1.00 0.00 C ATOM 297 O VAL A 45 -2.583 0.553 12.132 1.00 0.00 O ATOM 298 CB VAL A 45 -2.742 0.043 9.291 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.227 0.051 9.605 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.525 -0.017 7.788 1.00 0.00 C ATOM 0 H VAL A 45 -0.254 0.161 10.019 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.292 2.163 9.322 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.311 -0.846 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.697 -0.829 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.371 0.038 10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.682 0.950 9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.039 -0.888 7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.922 0.887 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.458 -0.094 7.577 1.00 0.00 H new ATOM 310 N MET A 46 -2.690 2.759 11.690 1.00 0.00 N ATOM 311 CA MET A 46 -3.136 3.126 13.035 1.00 0.00 C ATOM 312 C MET A 46 -4.116 4.299 12.974 1.00 0.00 C ATOM 313 O MET A 46 -3.722 5.462 13.059 1.00 0.00 O ATOM 314 CB MET A 46 -1.943 3.478 13.934 1.00 0.00 C ATOM 315 CG MET A 46 -0.847 4.261 13.228 1.00 0.00 C ATOM 316 SD MET A 46 0.671 4.353 14.196 1.00 0.00 S ATOM 317 CE MET A 46 0.316 5.759 15.248 1.00 0.00 C ATOM 0 H MET A 46 -2.571 3.550 11.058 1.00 0.00 H new ATOM 0 HA MET A 46 -3.646 2.265 13.466 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.301 4.059 14.784 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.518 2.557 14.333 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.633 3.794 12.267 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.203 5.270 13.020 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.164 5.943 15.908 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.138 6.640 14.631 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.571 5.551 15.847 1.00 0.00 H new ATOM 327 N GLY A 47 -5.400 3.985 12.821 1.00 0.00 N ATOM 328 CA GLY A 47 -6.416 5.023 12.719 1.00 0.00 C ATOM 329 C GLY A 47 -6.478 5.609 11.317 1.00 0.00 C ATOM 330 O GLY A 47 -7.282 6.494 11.029 1.00 0.00 O ATOM 0 H GLY A 47 -5.757 3.031 12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.389 4.608 12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.201 5.815 13.436 1.00 0.00 H new ATOM 334 N GLY A 48 -5.613 5.093 10.451 1.00 0.00 N ATOM 335 CA GLY A 48 -5.537 5.538 9.076 1.00 0.00 C ATOM 336 C GLY A 48 -4.238 5.100 8.429 1.00 0.00 C ATOM 337 O GLY A 48 -3.554 4.214 8.944 1.00 0.00 O ATOM 0 H GLY A 48 -4.949 4.356 10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.380 5.136 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.617 6.624 9.038 1.00 0.00 H new ATOM 341 N TYR A 49 -3.893 5.715 7.307 1.00 0.00 N ATOM 342 CA TYR A 49 -2.657 5.378 6.602 1.00 0.00 C ATOM 343 C TYR A 49 -1.558 6.382 6.948 1.00 0.00 C ATOM 344 O TYR A 49 -1.753 7.589 6.814 1.00 0.00 O ATOM 345 CB TYR A 49 -2.901 5.354 5.089 1.00 0.00 C ATOM 346 CG TYR A 49 -4.051 4.459 4.677 1.00 0.00 C ATOM 347 CD1 TYR A 49 -4.020 3.091 4.921 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.172 4.985 4.045 1.00 0.00 C ATOM 349 CE1 TYR A 49 -5.072 2.276 4.549 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.229 4.178 3.673 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.174 2.824 3.926 1.00 0.00 C ATOM 352 OH TYR A 49 -7.227 2.018 3.556 1.00 0.00 O ATOM 0 H TYR A 49 -4.447 6.448 6.864 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.333 4.387 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.100 6.369 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.993 5.019 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.160 2.658 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.217 6.045 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.032 1.215 4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.094 4.605 3.187 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.001 2.208 4.126 1.00 0.00 H new ATOM 362 N THR A 50 -0.405 5.881 7.400 1.00 0.00 N ATOM 363 CA THR A 50 0.711 6.757 7.768 1.00 0.00 C ATOM 364 C THR A 50 1.258 7.509 6.542 1.00 0.00 C ATOM 365 O THR A 50 1.184 8.738 6.497 1.00 0.00 O ATOM 366 CB THR A 50 1.837 5.984 8.495 1.00 0.00 C ATOM 367 OG1 THR A 50 1.361 5.516 9.763 1.00 0.00 O ATOM 368 CG2 THR A 50 3.064 6.863 8.703 1.00 0.00 C ATOM 0 H THR A 50 -0.221 4.885 7.519 1.00 0.00 H new ATOM 0 HA THR A 50 0.321 7.495 8.469 1.00 0.00 H new ATOM 0 HB THR A 50 2.125 5.137 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.778 4.740 9.627 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.838 6.292 9.216 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.440 7.197 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.793 7.730 9.306 1.00 0.00 H new ATOM 376 N PRO A 51 1.833 6.812 5.528 1.00 0.00 N ATOM 377 CA PRO A 51 2.320 7.483 4.324 1.00 0.00 C ATOM 378 C PRO A 51 1.161 7.909 3.421 1.00 0.00 C ATOM 379 O PRO A 51 0.639 7.106 2.647 1.00 0.00 O ATOM 380 CB PRO A 51 3.178 6.420 3.640 1.00 0.00 C ATOM 381 CG PRO A 51 2.597 5.125 4.084 1.00 0.00 C ATOM 382 CD PRO A 51 2.083 5.354 5.479 1.00 0.00 C ATOM 0 HA PRO A 51 2.871 8.396 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.142 6.519 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.224 6.506 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.793 4.811 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.349 4.336 4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.173 4.785 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.812 5.048 6.229 1.00 0.00 H new ATOM 390 N GLU A 52 0.753 9.172 3.547 1.00 0.00 N ATOM 391 CA GLU A 52 -0.359 9.718 2.758 1.00 0.00 C ATOM 392 C GLU A 52 -0.187 9.458 1.259 1.00 0.00 C ATOM 393 O GLU A 52 -1.142 9.096 0.572 1.00 0.00 O ATOM 394 CB GLU A 52 -0.515 11.223 3.014 1.00 0.00 C ATOM 395 CG GLU A 52 0.794 12.002 2.980 1.00 0.00 C ATOM 396 CD GLU A 52 1.113 12.672 4.303 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.493 13.713 4.607 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.977 12.149 5.038 1.00 0.00 O ATOM 0 H GLU A 52 1.176 9.841 4.190 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.262 9.201 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.192 11.639 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.986 11.368 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.607 11.326 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.741 12.759 2.198 1.00 0.00 H new ATOM 405 N LEU A 53 1.031 9.647 0.758 1.00 0.00 N ATOM 406 CA LEU A 53 1.320 9.421 -0.655 1.00 0.00 C ATOM 407 C LEU A 53 2.580 8.574 -0.817 1.00 0.00 C ATOM 408 O LEU A 53 3.663 8.973 -0.394 1.00 0.00 O ATOM 409 CB LEU A 53 1.485 10.749 -1.404 1.00 0.00 C ATOM 410 CG LEU A 53 1.192 12.017 -0.598 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.057 13.168 -1.086 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.282 12.386 -0.700 1.00 0.00 C ATOM 0 H LEU A 53 1.832 9.956 1.309 1.00 0.00 H new ATOM 0 HA LEU A 53 0.474 8.885 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.508 10.808 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.829 10.736 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 53 1.429 11.821 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.836 14.062 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.109 12.908 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.847 13.360 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.472 13.290 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.541 12.563 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.889 11.570 -0.308 1.00 0.00 H new ATOM 424 N ILE A 54 2.434 7.401 -1.428 1.00 0.00 N ATOM 425 CA ILE A 54 3.573 6.506 -1.646 1.00 0.00 C ATOM 426 C ILE A 54 4.128 6.657 -3.062 1.00 0.00 C ATOM 427 O ILE A 54 3.391 6.573 -4.045 1.00 0.00 O ATOM 428 CB ILE A 54 3.205 5.025 -1.395 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.836 4.689 -1.993 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.225 4.717 0.094 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.449 3.233 -1.845 1.00 0.00 C ATOM 0 H ILE A 54 1.544 7.047 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 54 4.337 6.796 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 54 3.951 4.403 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.078 5.308 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.838 4.950 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.964 3.671 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.222 4.906 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.503 5.353 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.468 3.070 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.186 2.608 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.414 2.971 -0.787 1.00 0.00 H new ATOM 443 N VAL A 55 5.432 6.888 -3.162 1.00 0.00 N ATOM 444 CA VAL A 55 6.080 7.056 -4.461 1.00 0.00 C ATOM 445 C VAL A 55 6.760 5.764 -4.923 1.00 0.00 C ATOM 446 O VAL A 55 7.568 5.180 -4.197 1.00 0.00 O ATOM 447 CB VAL A 55 7.120 8.199 -4.423 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.836 8.336 -5.759 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.457 9.512 -4.034 1.00 0.00 C ATOM 0 H VAL A 55 6.061 6.963 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 55 5.296 7.311 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 55 7.865 7.950 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.561 9.148 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.352 7.405 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.109 8.554 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.205 10.305 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.686 9.760 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.005 9.413 -3.047 1.00 0.00 H new ATOM 459 N LEU A 56 6.422 5.333 -6.138 1.00 0.00 N ATOM 460 CA LEU A 56 6.985 4.110 -6.714 1.00 0.00 C ATOM 461 C LEU A 56 7.377 4.316 -8.182 1.00 0.00 C ATOM 462 O LEU A 56 6.977 5.296 -8.814 1.00 0.00 O ATOM 463 CB LEU A 56 5.971 2.966 -6.612 1.00 0.00 C ATOM 464 CG LEU A 56 5.543 2.593 -5.191 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.081 2.178 -5.164 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.423 1.481 -4.645 1.00 0.00 C ATOM 0 H LEU A 56 5.759 5.814 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 56 7.882 3.857 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.082 3.239 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.396 2.083 -7.089 1.00 0.00 H new ATOM 0 HG LEU A 56 5.662 3.470 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.796 1.917 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.462 3.004 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.936 1.315 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.105 1.228 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.336 0.602 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.461 1.814 -4.626 1.00 0.00 H new ATOM 478 N LYS A 57 8.166 3.388 -8.720 1.00 0.00 N ATOM 479 CA LYS A 57 8.595 3.462 -10.118 1.00 0.00 C ATOM 480 C LYS A 57 7.614 2.717 -11.028 1.00 0.00 C ATOM 481 O LYS A 57 6.715 2.026 -10.550 1.00 0.00 O ATOM 482 CB LYS A 57 10.003 2.882 -10.274 1.00 0.00 C ATOM 483 CG LYS A 57 11.018 3.883 -10.804 1.00 0.00 C ATOM 484 CD LYS A 57 12.310 3.198 -11.221 1.00 0.00 C ATOM 485 CE LYS A 57 13.150 4.093 -12.120 1.00 0.00 C ATOM 486 NZ LYS A 57 14.447 3.459 -12.480 1.00 0.00 N ATOM 0 H LYS A 57 8.521 2.578 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 57 8.611 4.511 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.343 2.510 -9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.962 2.027 -10.949 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.595 4.415 -11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.231 4.628 -10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.884 2.930 -10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.079 2.270 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.593 4.320 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.337 5.041 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.989 4.101 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.991 3.265 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.269 2.567 -12.984 1.00 0.00 H new ATOM 500 N LYS A 58 7.789 2.854 -12.340 1.00 0.00 N ATOM 501 CA LYS A 58 6.899 2.197 -13.299 1.00 0.00 C ATOM 502 C LYS A 58 7.530 0.937 -13.900 1.00 0.00 C ATOM 503 O LYS A 58 8.749 0.850 -14.055 1.00 0.00 O ATOM 504 CB LYS A 58 6.518 3.169 -14.418 1.00 0.00 C ATOM 505 CG LYS A 58 5.347 2.687 -15.262 1.00 0.00 C ATOM 506 CD LYS A 58 5.054 3.629 -16.416 1.00 0.00 C ATOM 507 CE LYS A 58 5.604 3.095 -17.731 1.00 0.00 C ATOM 508 NZ LYS A 58 4.522 2.619 -18.638 1.00 0.00 N ATOM 0 H LYS A 58 8.533 3.409 -12.763 1.00 0.00 H new ATOM 0 HA LYS A 58 6.004 1.894 -12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.268 4.136 -13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.382 3.325 -15.064 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.566 1.693 -15.652 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.461 2.596 -14.634 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.977 3.773 -16.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.491 4.606 -16.209 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.176 3.878 -18.229 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.294 2.276 -17.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.941 2.097 -19.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.880 1.992 -18.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.989 3.435 -19.001 1.00 0.00 H new ATOM 522 N SER A 59 6.670 -0.039 -14.223 1.00 0.00 N ATOM 523 CA SER A 59 7.083 -1.320 -14.820 1.00 0.00 C ATOM 524 C SER A 59 7.940 -2.149 -13.859 1.00 0.00 C ATOM 525 O SER A 59 8.662 -3.057 -14.275 1.00 0.00 O ATOM 526 CB SER A 59 7.834 -1.089 -16.139 1.00 0.00 C ATOM 527 OG SER A 59 8.186 -2.318 -16.750 1.00 0.00 O ATOM 0 H SER A 59 5.663 0.037 -14.077 1.00 0.00 H new ATOM 0 HA SER A 59 6.175 -1.886 -15.026 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.211 -0.507 -16.818 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.733 -0.503 -15.951 1.00 0.00 H new ATOM 0 HG SER A 59 8.510 -2.942 -16.067 1.00 0.00 H new ATOM 533 N VAL A 60 7.843 -1.839 -12.572 1.00 0.00 N ATOM 534 CA VAL A 60 8.608 -2.550 -11.554 1.00 0.00 C ATOM 535 C VAL A 60 7.678 -3.142 -10.485 1.00 0.00 C ATOM 536 O VAL A 60 6.724 -2.492 -10.054 1.00 0.00 O ATOM 537 CB VAL A 60 9.654 -1.609 -10.900 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.988 -0.592 -9.988 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.703 -2.397 -10.132 1.00 0.00 C ATOM 0 H VAL A 60 7.242 -1.100 -12.208 1.00 0.00 H new ATOM 0 HA VAL A 60 9.136 -3.370 -12.040 1.00 0.00 H new ATOM 0 HB VAL A 60 10.152 -1.071 -11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.748 0.052 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.291 0.014 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.447 -1.112 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.421 -1.709 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.219 -2.977 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.222 -3.072 -10.813 1.00 0.00 H new ATOM 549 N PRO A 61 7.911 -4.402 -10.076 1.00 0.00 N ATOM 550 CA PRO A 61 7.100 -5.050 -9.040 1.00 0.00 C ATOM 551 C PRO A 61 7.246 -4.350 -7.688 1.00 0.00 C ATOM 552 O PRO A 61 8.350 -4.210 -7.162 1.00 0.00 O ATOM 553 CB PRO A 61 7.657 -6.477 -8.974 1.00 0.00 C ATOM 554 CG PRO A 61 9.019 -6.393 -9.575 1.00 0.00 C ATOM 555 CD PRO A 61 8.957 -5.297 -10.601 1.00 0.00 C ATOM 0 HA PRO A 61 6.036 -5.017 -9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.702 -6.835 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.025 -7.172 -9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.767 -6.172 -8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.301 -7.341 -10.034 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.913 -4.784 -10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.699 -5.683 -11.587 1.00 0.00 H new ATOM 563 N ALA A 62 6.133 -3.894 -7.134 1.00 0.00 N ATOM 564 CA ALA A 62 6.157 -3.202 -5.851 1.00 0.00 C ATOM 565 C ALA A 62 5.245 -3.879 -4.832 1.00 0.00 C ATOM 566 O ALA A 62 4.136 -4.303 -5.157 1.00 0.00 O ATOM 567 CB ALA A 62 5.757 -1.749 -6.040 1.00 0.00 C ATOM 0 H ALA A 62 5.206 -3.989 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 62 7.174 -3.246 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.777 -1.238 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.456 -1.265 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.751 -1.700 -6.456 1.00 0.00 H new ATOM 573 N ARG A 63 5.718 -3.982 -3.594 1.00 0.00 N ATOM 574 CA ARG A 63 4.933 -4.607 -2.541 1.00 0.00 C ATOM 575 C ARG A 63 4.679 -3.636 -1.384 1.00 0.00 C ATOM 576 O ARG A 63 5.599 -3.018 -0.840 1.00 0.00 O ATOM 577 CB ARG A 63 5.611 -5.898 -2.056 1.00 0.00 C ATOM 578 CG ARG A 63 6.857 -5.688 -1.215 1.00 0.00 C ATOM 579 CD ARG A 63 7.769 -6.905 -1.261 1.00 0.00 C ATOM 580 NE ARG A 63 8.695 -6.938 -0.132 1.00 0.00 N ATOM 581 CZ ARG A 63 9.030 -8.037 0.524 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.550 -9.203 0.165 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.851 -7.965 1.542 1.00 0.00 N ATOM 0 H ARG A 63 6.634 -3.643 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 63 3.961 -4.874 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.891 -6.473 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.874 -6.502 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.397 -4.813 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.571 -5.484 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.164 -7.812 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.334 -6.900 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 63 9.110 -6.057 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.911 -9.270 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.815 -10.044 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.231 -7.063 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.110 -8.811 2.049 1.00 0.00 H new ATOM 597 N ILE A 64 3.409 -3.490 -1.035 1.00 0.00 N ATOM 598 CA ILE A 64 3.000 -2.599 0.050 1.00 0.00 C ATOM 599 C ILE A 64 2.796 -3.381 1.347 1.00 0.00 C ATOM 600 O ILE A 64 1.902 -4.221 1.438 1.00 0.00 O ATOM 601 CB ILE A 64 1.698 -1.844 -0.301 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.673 -1.450 -1.786 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.540 -0.615 0.582 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.596 -0.299 -2.139 1.00 0.00 C ATOM 0 H ILE A 64 2.637 -3.979 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 64 3.800 -1.872 0.188 1.00 0.00 H new ATOM 0 HB ILE A 64 0.858 -2.513 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.947 -2.318 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.653 -1.181 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.618 -0.096 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.501 -0.921 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.388 0.053 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.518 -0.084 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.310 0.585 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.624 -0.570 -1.897 1.00 0.00 H new ATOM 616 N VAL A 65 3.627 -3.099 2.347 1.00 0.00 N ATOM 617 CA VAL A 65 3.544 -3.791 3.635 1.00 0.00 C ATOM 618 C VAL A 65 2.645 -3.038 4.615 1.00 0.00 C ATOM 619 O VAL A 65 3.000 -1.962 5.091 1.00 0.00 O ATOM 620 CB VAL A 65 4.938 -3.965 4.275 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.896 -5.012 5.379 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.974 -4.337 3.225 1.00 0.00 C ATOM 0 H VAL A 65 4.365 -2.397 2.293 1.00 0.00 H new ATOM 0 HA VAL A 65 3.116 -4.773 3.432 1.00 0.00 H new ATOM 0 HB VAL A 65 5.228 -3.012 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.888 -5.119 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.191 -4.700 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.578 -5.968 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.948 -4.454 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.688 -5.274 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.029 -3.549 2.473 1.00 0.00 H new ATOM 632 N PHE A 66 1.488 -3.609 4.920 1.00 0.00 N ATOM 633 CA PHE A 66 0.549 -2.984 5.847 1.00 0.00 C ATOM 634 C PHE A 66 0.713 -3.539 7.261 1.00 0.00 C ATOM 635 O PHE A 66 0.466 -4.721 7.513 1.00 0.00 O ATOM 636 CB PHE A 66 -0.890 -3.183 5.365 1.00 0.00 C ATOM 637 CG PHE A 66 -1.217 -2.393 4.130 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.411 -1.024 4.202 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.323 -3.018 2.898 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.704 -0.292 3.068 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.614 -2.290 1.761 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.805 -0.925 1.847 1.00 0.00 C ATOM 0 H PHE A 66 1.175 -4.503 4.541 1.00 0.00 H new ATOM 0 HA PHE A 66 0.769 -1.917 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.056 -4.242 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.576 -2.898 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.332 -0.523 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.177 -4.086 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.854 0.775 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.692 -2.788 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.033 -0.354 0.959 1.00 0.00 H new ATOM 652 N ASP A 67 1.140 -2.676 8.175 1.00 0.00 N ATOM 653 CA ASP A 67 1.337 -3.056 9.572 1.00 0.00 C ATOM 654 C ASP A 67 0.149 -2.594 10.417 1.00 0.00 C ATOM 655 O ASP A 67 0.026 -1.408 10.725 1.00 0.00 O ATOM 656 CB ASP A 67 2.637 -2.443 10.103 1.00 0.00 C ATOM 657 CG ASP A 67 3.241 -3.237 11.245 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.553 -3.422 12.271 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.405 -3.674 11.114 1.00 0.00 O ATOM 0 H ASP A 67 1.358 -1.700 7.973 1.00 0.00 H new ATOM 0 HA ASP A 67 1.408 -4.142 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.360 -2.378 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.442 -1.425 10.439 1.00 0.00 H new ATOM 664 N ARG A 68 -0.717 -3.529 10.792 1.00 0.00 N ATOM 665 CA ARG A 68 -1.899 -3.196 11.585 1.00 0.00 C ATOM 666 C ARG A 68 -1.552 -2.953 13.054 1.00 0.00 C ATOM 667 O ARG A 68 -1.302 -3.889 13.816 1.00 0.00 O ATOM 668 CB ARG A 68 -2.955 -4.295 11.478 1.00 0.00 C ATOM 669 CG ARG A 68 -4.307 -3.881 12.039 1.00 0.00 C ATOM 670 CD ARG A 68 -5.322 -3.634 10.935 1.00 0.00 C ATOM 671 NE ARG A 68 -6.144 -4.811 10.681 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.358 -4.989 11.170 1.00 0.00 C ATOM 673 NH1 ARG A 68 -7.912 -4.083 11.941 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.021 -6.080 10.884 1.00 0.00 N ATOM 0 H ARG A 68 -0.626 -4.519 10.562 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.304 -2.270 11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.073 -4.576 10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.604 -5.180 12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.678 -4.659 12.707 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.192 -2.977 12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.962 -2.796 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.802 -3.350 10.020 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.757 -5.544 10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.404 -3.228 12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.850 -4.233 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.600 -6.790 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.959 -6.220 11.260 1.00 0.00 H new ATOM 688 N LYS A 69 -1.549 -1.682 13.436 1.00 0.00 N ATOM 689 CA LYS A 69 -1.255 -1.281 14.808 1.00 0.00 C ATOM 690 C LYS A 69 -2.558 -1.069 15.585 1.00 0.00 C ATOM 691 O LYS A 69 -2.671 -1.438 16.754 1.00 0.00 O ATOM 692 CB LYS A 69 -0.411 0.002 14.800 1.00 0.00 C ATOM 693 CG LYS A 69 -0.341 0.711 16.144 1.00 0.00 C ATOM 694 CD LYS A 69 0.733 0.104 17.034 1.00 0.00 C ATOM 695 CE LYS A 69 2.013 0.929 17.015 1.00 0.00 C ATOM 696 NZ LYS A 69 3.095 0.260 16.240 1.00 0.00 N ATOM 0 H LYS A 69 -1.749 -0.903 12.808 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.688 -2.070 15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.601 -0.244 14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.822 0.689 14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.132 1.769 15.989 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.308 0.647 16.642 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.361 0.033 18.056 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.950 -0.911 16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.808 1.907 16.581 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.351 1.098 18.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.021 0.580 16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.018 -0.771 16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.002 0.503 15.233 1.00 0.00 H new ATOM 710 N ASP A 70 -3.540 -0.475 14.915 1.00 0.00 N ATOM 711 CA ASP A 70 -4.843 -0.216 15.523 1.00 0.00 C ATOM 712 C ASP A 70 -5.902 -1.188 14.985 1.00 0.00 C ATOM 713 O ASP A 70 -6.003 -1.399 13.775 1.00 0.00 O ATOM 714 CB ASP A 70 -5.271 1.230 15.253 1.00 0.00 C ATOM 715 CG ASP A 70 -6.102 1.816 16.381 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.512 2.402 17.310 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.345 1.682 16.331 1.00 0.00 O ATOM 0 H ASP A 70 -3.459 -0.162 13.947 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.755 -0.368 16.599 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.384 1.845 15.103 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.845 1.268 14.327 1.00 0.00 H new ATOM 722 N PRO A 71 -6.718 -1.778 15.880 1.00 0.00 N ATOM 723 CA PRO A 71 -7.774 -2.727 15.497 1.00 0.00 C ATOM 724 C PRO A 71 -9.047 -2.033 15.002 1.00 0.00 C ATOM 725 O PRO A 71 -10.161 -2.461 15.306 1.00 0.00 O ATOM 726 CB PRO A 71 -8.044 -3.464 16.806 1.00 0.00 C ATOM 727 CG PRO A 71 -7.801 -2.435 17.855 1.00 0.00 C ATOM 728 CD PRO A 71 -6.679 -1.571 17.339 1.00 0.00 C ATOM 0 HA PRO A 71 -7.472 -3.368 14.669 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.065 -3.843 16.847 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.381 -4.321 16.926 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.698 -1.843 18.035 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.531 -2.901 18.803 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.829 -0.523 17.598 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.719 -1.869 17.760 1.00 0.00 H new ATOM 736 N SER A 72 -8.869 -0.961 14.238 1.00 0.00 N ATOM 737 CA SER A 72 -9.993 -0.196 13.699 1.00 0.00 C ATOM 738 C SER A 72 -10.770 -1.003 12.653 1.00 0.00 C ATOM 739 O SER A 72 -10.177 -1.604 11.757 1.00 0.00 O ATOM 740 CB SER A 72 -9.489 1.106 13.070 1.00 0.00 C ATOM 741 OG SER A 72 -8.328 1.583 13.731 1.00 0.00 O ATOM 0 H SER A 72 -7.952 -0.599 13.975 1.00 0.00 H new ATOM 0 HA SER A 72 -10.667 0.031 14.525 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.268 0.941 12.016 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.273 1.862 13.117 1.00 0.00 H new ATOM 0 HG SER A 72 -8.443 1.492 14.700 1.00 0.00 H new ATOM 747 N PRO A 73 -12.115 -1.006 12.743 1.00 0.00 N ATOM 748 CA PRO A 73 -12.975 -1.744 11.803 1.00 0.00 C ATOM 749 C PRO A 73 -12.882 -1.206 10.373 1.00 0.00 C ATOM 750 O PRO A 73 -12.990 -1.960 9.408 1.00 0.00 O ATOM 751 CB PRO A 73 -14.387 -1.532 12.360 1.00 0.00 C ATOM 752 CG PRO A 73 -14.290 -0.293 13.183 1.00 0.00 C ATOM 753 CD PRO A 73 -12.905 -0.295 13.765 1.00 0.00 C ATOM 0 HA PRO A 73 -12.683 -2.792 11.731 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.116 -1.418 11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.707 -2.383 12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.457 0.595 12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.045 -0.286 13.970 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.535 0.717 13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.873 -0.806 14.727 1.00 0.00 H new ATOM 761 N CYS A 74 -12.662 0.102 10.247 1.00 0.00 N ATOM 762 CA CYS A 74 -12.546 0.748 8.937 1.00 0.00 C ATOM 763 C CYS A 74 -11.189 0.467 8.290 1.00 0.00 C ATOM 764 O CYS A 74 -10.928 0.890 7.165 1.00 0.00 O ATOM 765 CB CYS A 74 -12.744 2.260 9.076 1.00 0.00 C ATOM 766 SG CYS A 74 -12.119 2.943 10.630 1.00 0.00 S ATOM 0 H CYS A 74 -12.560 0.738 11.038 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.322 0.333 8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.246 2.759 8.245 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.807 2.486 8.993 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.329 4.226 10.656 1.00 0.00 H new ATOM 772 N LEU A 75 -10.328 -0.246 9.009 1.00 0.00 N ATOM 773 CA LEU A 75 -8.999 -0.585 8.513 1.00 0.00 C ATOM 774 C LEU A 75 -8.815 -2.101 8.409 1.00 0.00 C ATOM 775 O LEU A 75 -7.701 -2.590 8.230 1.00 0.00 O ATOM 776 CB LEU A 75 -7.936 0.007 9.441 1.00 0.00 C ATOM 777 CG LEU A 75 -7.685 1.506 9.274 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.918 2.048 10.469 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.927 1.784 7.984 1.00 0.00 C ATOM 0 H LEU A 75 -10.529 -0.602 9.943 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.889 -0.163 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.232 -0.182 10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.998 -0.522 9.276 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.648 2.013 9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.746 3.116 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.497 1.883 11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.960 1.534 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.759 2.856 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.968 1.267 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.511 1.428 7.135 1.00 0.00 H new ATOM 791 N ASP A 76 -9.922 -2.840 8.511 1.00 0.00 N ATOM 792 CA ASP A 76 -9.890 -4.302 8.438 1.00 0.00 C ATOM 793 C ASP A 76 -9.572 -4.798 7.022 1.00 0.00 C ATOM 794 O ASP A 76 -8.783 -5.727 6.843 1.00 0.00 O ATOM 795 CB ASP A 76 -11.231 -4.875 8.903 1.00 0.00 C ATOM 796 CG ASP A 76 -11.093 -6.248 9.532 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.792 -6.321 10.744 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.292 -7.253 8.813 1.00 0.00 O ATOM 0 H ASP A 76 -10.854 -2.448 8.645 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.093 -4.649 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.683 -4.193 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.910 -4.936 8.053 1.00 0.00 H new ATOM 803 N GLN A 77 -10.194 -4.184 6.023 1.00 0.00 N ATOM 804 CA GLN A 77 -9.976 -4.581 4.633 1.00 0.00 C ATOM 805 C GLN A 77 -9.432 -3.425 3.799 1.00 0.00 C ATOM 806 O GLN A 77 -9.852 -2.280 3.953 1.00 0.00 O ATOM 807 CB GLN A 77 -11.284 -5.090 4.018 1.00 0.00 C ATOM 808 CG GLN A 77 -11.170 -6.469 3.383 1.00 0.00 C ATOM 809 CD GLN A 77 -11.885 -6.559 2.047 1.00 0.00 C ATOM 810 OE1 GLN A 77 -11.255 -6.646 0.997 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.207 -6.538 2.077 1.00 0.00 N ATOM 0 H GLN A 77 -10.850 -3.413 6.146 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.235 -5.380 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.051 -5.119 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.620 -4.379 3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.117 -6.715 3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.584 -7.213 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.696 -6.465 2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.738 -6.595 1.208 1.00 0.00 H new ATOM 820 N ILE A 78 -8.492 -3.735 2.914 1.00 0.00 N ATOM 821 CA ILE A 78 -7.903 -2.729 2.038 1.00 0.00 C ATOM 822 C ILE A 78 -8.130 -3.096 0.572 1.00 0.00 C ATOM 823 O ILE A 78 -7.837 -4.214 0.143 1.00 0.00 O ATOM 824 CB ILE A 78 -6.387 -2.535 2.302 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.796 -1.541 1.298 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.641 -3.863 2.240 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.230 -0.296 1.942 1.00 0.00 C ATOM 0 H ILE A 78 -8.121 -4.676 2.784 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.401 -1.785 2.259 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.268 -2.132 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.009 -2.036 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.570 -1.252 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.581 -3.694 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.041 -4.540 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.767 -4.305 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.829 0.362 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.019 0.222 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.434 -0.573 2.633 1.00 0.00 H new ATOM 839 N VAL A 79 -8.673 -2.160 -0.190 1.00 0.00 N ATOM 840 CA VAL A 79 -8.937 -2.398 -1.601 1.00 0.00 C ATOM 841 C VAL A 79 -8.387 -1.271 -2.470 1.00 0.00 C ATOM 842 O VAL A 79 -8.595 -0.090 -2.194 1.00 0.00 O ATOM 843 CB VAL A 79 -10.453 -2.596 -1.871 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.287 -1.676 -0.996 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.790 -2.388 -3.344 1.00 0.00 C ATOM 0 H VAL A 79 -8.939 -1.233 0.142 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.420 -3.319 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.698 -3.627 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.345 -1.835 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.088 -1.893 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.027 -0.639 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.859 -2.534 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.516 -1.375 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.235 -3.105 -3.949 1.00 0.00 H new ATOM 855 N PHE A 80 -7.653 -1.656 -3.505 1.00 0.00 N ATOM 856 CA PHE A 80 -7.075 -0.709 -4.449 1.00 0.00 C ATOM 857 C PHE A 80 -8.037 -0.513 -5.626 1.00 0.00 C ATOM 858 O PHE A 80 -8.100 -1.355 -6.524 1.00 0.00 O ATOM 859 CB PHE A 80 -5.726 -1.232 -4.955 1.00 0.00 C ATOM 860 CG PHE A 80 -4.561 -0.899 -4.063 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.381 -1.558 -2.856 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.642 0.070 -4.435 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.307 -1.258 -2.040 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.567 0.376 -3.622 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.399 -0.290 -2.423 1.00 0.00 C ATOM 0 H PHE A 80 -7.442 -2.632 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.915 0.247 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.787 -2.315 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.539 -0.821 -5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.089 -2.315 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.768 0.592 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.178 -1.780 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.860 1.134 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.559 -0.054 -1.786 1.00 0.00 H new ATOM 875 N PRO A 81 -8.787 0.605 -5.651 1.00 0.00 N ATOM 876 CA PRO A 81 -9.771 0.878 -6.711 1.00 0.00 C ATOM 877 C PRO A 81 -9.144 1.105 -8.089 1.00 0.00 C ATOM 878 O PRO A 81 -9.829 1.036 -9.107 1.00 0.00 O ATOM 879 CB PRO A 81 -10.476 2.149 -6.228 1.00 0.00 C ATOM 880 CG PRO A 81 -9.508 2.803 -5.307 1.00 0.00 C ATOM 881 CD PRO A 81 -8.730 1.694 -4.658 1.00 0.00 C ATOM 0 HA PRO A 81 -10.435 0.026 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.728 2.802 -7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.409 1.912 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.846 3.475 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.027 3.403 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.703 1.993 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.174 1.395 -3.709 1.00 0.00 H new ATOM 889 N ASP A 82 -7.842 1.371 -8.121 1.00 0.00 N ATOM 890 CA ASP A 82 -7.147 1.603 -9.382 1.00 0.00 C ATOM 891 C ASP A 82 -6.372 0.363 -9.849 1.00 0.00 C ATOM 892 O ASP A 82 -5.840 0.341 -10.958 1.00 0.00 O ATOM 893 CB ASP A 82 -6.201 2.798 -9.246 1.00 0.00 C ATOM 894 CG ASP A 82 -6.944 4.101 -9.019 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.677 4.533 -9.932 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.790 4.691 -7.925 1.00 0.00 O ATOM 0 H ASP A 82 -7.250 1.431 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.901 1.820 -10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.517 2.624 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.594 2.882 -10.147 1.00 0.00 H new ATOM 901 N PHE A 83 -6.307 -0.665 -9.003 1.00 0.00 N ATOM 902 CA PHE A 83 -5.590 -1.895 -9.350 1.00 0.00 C ATOM 903 C PHE A 83 -6.509 -3.121 -9.326 1.00 0.00 C ATOM 904 O PHE A 83 -6.211 -4.139 -9.950 1.00 0.00 O ATOM 905 CB PHE A 83 -4.411 -2.106 -8.395 1.00 0.00 C ATOM 906 CG PHE A 83 -3.226 -1.235 -8.705 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.130 0.041 -8.173 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.211 -1.691 -9.531 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.048 0.845 -8.461 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.123 -0.889 -9.822 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.043 0.382 -9.284 1.00 0.00 C ATOM 0 H PHE A 83 -6.738 -0.673 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.219 -1.781 -10.368 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.740 -1.909 -7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.104 -3.151 -8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.912 0.410 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.270 -2.684 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.987 1.838 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.338 -1.254 -10.468 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.194 1.012 -9.508 1.00 0.00 H new ATOM 921 N GLY A 84 -7.622 -3.022 -8.601 1.00 0.00 N ATOM 922 CA GLY A 84 -8.555 -4.136 -8.502 1.00 0.00 C ATOM 923 C GLY A 84 -8.094 -5.179 -7.500 1.00 0.00 C ATOM 924 O GLY A 84 -8.396 -6.365 -7.632 1.00 0.00 O ATOM 0 H GLY A 84 -7.895 -2.189 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.536 -3.762 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.670 -4.600 -9.481 1.00 0.00 H new ATOM 928 N VAL A 85 -7.367 -4.726 -6.484 1.00 0.00 N ATOM 929 CA VAL A 85 -6.831 -5.614 -5.456 1.00 0.00 C ATOM 930 C VAL A 85 -7.519 -5.398 -4.104 1.00 0.00 C ATOM 931 O VAL A 85 -7.450 -4.315 -3.529 1.00 0.00 O ATOM 932 CB VAL A 85 -5.308 -5.399 -5.302 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.769 -6.100 -4.064 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.574 -5.871 -6.548 1.00 0.00 C ATOM 0 H VAL A 85 -7.134 -3.742 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.026 -6.637 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.134 -4.330 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.695 -5.928 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.265 -5.705 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.960 -7.170 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.503 -5.712 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.767 -6.932 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.925 -5.307 -7.412 1.00 0.00 H new ATOM 944 N HIS A 86 -8.184 -6.438 -3.606 1.00 0.00 N ATOM 945 CA HIS A 86 -8.872 -6.373 -2.311 1.00 0.00 C ATOM 946 C HIS A 86 -8.296 -7.420 -1.352 1.00 0.00 C ATOM 947 O HIS A 86 -8.321 -8.618 -1.643 1.00 0.00 O ATOM 948 CB HIS A 86 -10.387 -6.581 -2.479 1.00 0.00 C ATOM 949 CG HIS A 86 -10.770 -7.614 -3.504 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.292 -8.907 -3.487 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.596 -7.536 -4.575 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.804 -9.580 -4.500 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.600 -8.771 -5.175 1.00 0.00 N ATOM 0 H HIS A 86 -8.263 -7.339 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.711 -5.380 -1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.809 -6.870 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.842 -5.630 -2.754 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.642 -9.285 -2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.148 -6.665 -4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.606 -10.615 -4.736 1.00 0.00 H new ATOM 961 N ALA A 87 -7.776 -6.970 -0.212 1.00 0.00 N ATOM 962 CA ALA A 87 -7.182 -7.884 0.764 1.00 0.00 C ATOM 963 C ALA A 87 -7.574 -7.541 2.202 1.00 0.00 C ATOM 964 O ALA A 87 -7.962 -6.413 2.504 1.00 0.00 O ATOM 965 CB ALA A 87 -5.667 -7.877 0.619 1.00 0.00 C ATOM 0 H ALA A 87 -7.753 -5.987 0.058 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.571 -8.881 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.229 -8.559 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.396 -8.198 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.290 -6.869 0.792 1.00 0.00 H new ATOM 971 N ASN A 88 -7.457 -8.527 3.087 1.00 0.00 N ATOM 972 CA ASN A 88 -7.786 -8.346 4.499 1.00 0.00 C ATOM 973 C ASN A 88 -6.511 -8.225 5.334 1.00 0.00 C ATOM 974 O ASN A 88 -5.553 -8.969 5.129 1.00 0.00 O ATOM 975 CB ASN A 88 -8.635 -9.521 4.998 1.00 0.00 C ATOM 976 CG ASN A 88 -9.231 -9.273 6.371 1.00 0.00 C ATOM 977 OD1 ASN A 88 -8.727 -9.764 7.376 1.00 0.00 O ATOM 978 ND2 ASN A 88 -10.312 -8.514 6.421 1.00 0.00 N ATOM 0 H ASN A 88 -7.135 -9.465 2.850 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.360 -7.425 4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.439 -9.711 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.020 -10.420 5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.757 -8.318 7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.701 -8.124 5.563 1.00 0.00 H new ATOM 985 N LEU A 89 -6.501 -7.285 6.274 1.00 0.00 N ATOM 986 CA LEU A 89 -5.330 -7.075 7.123 1.00 0.00 C ATOM 987 C LEU A 89 -5.504 -7.739 8.492 1.00 0.00 C ATOM 988 O LEU A 89 -6.508 -7.530 9.175 1.00 0.00 O ATOM 989 CB LEU A 89 -5.057 -5.578 7.302 1.00 0.00 C ATOM 990 CG LEU A 89 -4.983 -4.765 6.008 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.836 -3.283 6.316 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.830 -5.245 5.140 1.00 0.00 C ATOM 0 H LEU A 89 -7.284 -6.660 6.467 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.478 -7.538 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.840 -5.156 7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.116 -5.459 7.840 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.912 -4.912 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.785 -2.721 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.694 -2.945 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.923 -3.119 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.794 -4.655 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.892 -5.129 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.976 -6.296 4.889 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.522 -8.561 8.904 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.555 -9.246 10.197 1.00 0.00 C ATOM 1006 C PRO A 90 -4.080 -8.350 11.346 1.00 0.00 C ATOM 1007 O PRO A 90 -3.021 -7.724 11.265 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.597 -10.419 9.985 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.620 -9.949 8.956 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.313 -8.894 8.131 1.00 0.00 C ATOM 0 HA PRO A 90 -5.563 -9.546 10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.092 -10.687 10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.131 -11.306 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.728 -9.541 9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.296 -10.778 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.678 -8.019 7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.566 -9.268 7.139 1.00 0.00 H new ATOM 1018 N MET A 91 -4.867 -8.297 12.416 1.00 0.00 N ATOM 1019 CA MET A 91 -4.533 -7.472 13.577 1.00 0.00 C ATOM 1020 C MET A 91 -3.302 -8.008 14.316 1.00 0.00 C ATOM 1021 O MET A 91 -3.253 -9.175 14.706 1.00 0.00 O ATOM 1022 CB MET A 91 -5.729 -7.393 14.531 1.00 0.00 C ATOM 1023 CG MET A 91 -5.449 -6.607 15.801 1.00 0.00 C ATOM 1024 SD MET A 91 -4.843 -4.941 15.472 1.00 0.00 S ATOM 1025 CE MET A 91 -3.897 -4.627 16.959 1.00 0.00 C ATOM 0 H MET A 91 -5.741 -8.815 12.505 1.00 0.00 H new ATOM 0 HA MET A 91 -4.294 -6.472 13.216 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.569 -6.935 14.009 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.035 -8.404 14.800 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.362 -6.546 16.394 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.714 -7.144 16.401 1.00 0.00 H new ATOM 0 HE1 MET A 91 -3.996 -3.578 17.239 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.271 -5.255 17.768 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.847 -4.856 16.777 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.311 -7.139 14.499 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.088 -7.524 15.187 1.00 0.00 C ATOM 1037 C GLY A 92 -0.097 -8.233 14.278 1.00 0.00 C ATOM 1038 O GLY A 92 0.872 -8.828 14.750 1.00 0.00 O ATOM 0 H GLY A 92 -2.333 -6.170 14.182 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.617 -6.635 15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.338 -8.177 16.024 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.337 -8.168 12.972 1.00 0.00 N ATOM 1043 CA GLU A 93 0.534 -8.817 11.995 1.00 0.00 C ATOM 1044 C GLU A 93 0.762 -7.919 10.777 1.00 0.00 C ATOM 1045 O GLU A 93 0.202 -6.825 10.684 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.066 -10.157 11.555 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.145 -11.192 12.667 1.00 0.00 C ATOM 1048 CD GLU A 93 1.167 -11.926 12.889 1.00 0.00 C ATOM 1049 OE1 GLU A 93 2.116 -11.701 12.105 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.242 -12.729 13.842 1.00 0.00 O ATOM 0 H GLU A 93 -1.129 -7.671 12.564 1.00 0.00 H new ATOM 0 HA GLU A 93 1.498 -8.997 12.471 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.068 -9.984 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.532 -10.561 10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.441 -10.700 13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.924 -11.916 12.428 1.00 0.00 H new ATOM 1057 N GLU A 94 1.593 -8.384 9.849 1.00 0.00 N ATOM 1058 CA GLU A 94 1.897 -7.618 8.643 1.00 0.00 C ATOM 1059 C GLU A 94 1.368 -8.309 7.388 1.00 0.00 C ATOM 1060 O GLU A 94 1.541 -9.514 7.206 1.00 0.00 O ATOM 1061 CB GLU A 94 3.408 -7.412 8.509 1.00 0.00 C ATOM 1062 CG GLU A 94 3.983 -6.418 9.504 1.00 0.00 C ATOM 1063 CD GLU A 94 5.341 -6.840 10.034 1.00 0.00 C ATOM 1064 OE1 GLU A 94 6.361 -6.468 9.416 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.383 -7.545 11.064 1.00 0.00 O ATOM 0 H GLU A 94 2.067 -9.285 9.908 1.00 0.00 H new ATOM 0 HA GLU A 94 1.401 -6.652 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.909 -8.372 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.630 -7.070 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.071 -5.442 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.291 -6.304 10.339 1.00 0.00 H new ATOM 1072 N TYR A 95 0.728 -7.532 6.525 1.00 0.00 N ATOM 1073 CA TYR A 95 0.187 -8.050 5.269 1.00 0.00 C ATOM 1074 C TYR A 95 0.769 -7.276 4.091 1.00 0.00 C ATOM 1075 O TYR A 95 0.676 -6.051 4.039 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.340 -7.959 5.259 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.001 -8.981 4.359 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.231 -10.278 4.801 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.393 -8.649 3.067 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.833 -11.214 3.982 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.995 -9.580 2.244 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.212 -10.860 2.704 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.812 -11.789 1.885 1.00 0.00 O ATOM 0 H TYR A 95 0.569 -6.535 6.670 1.00 0.00 H new ATOM 0 HA TYR A 95 0.468 -9.099 5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.710 -8.089 6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.634 -6.960 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.934 -10.559 5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.224 -7.647 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.006 -12.218 4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.295 -9.306 1.243 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.017 -11.378 1.019 1.00 0.00 H new ATOM 1093 N VAL A 96 1.371 -7.987 3.146 1.00 0.00 N ATOM 1094 CA VAL A 96 1.980 -7.336 1.991 1.00 0.00 C ATOM 1095 C VAL A 96 1.141 -7.502 0.714 1.00 0.00 C ATOM 1096 O VAL A 96 0.597 -8.573 0.434 1.00 0.00 O ATOM 1097 CB VAL A 96 3.429 -7.843 1.764 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.462 -9.154 0.989 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.263 -6.783 1.063 1.00 0.00 C ATOM 0 H VAL A 96 1.451 -9.004 3.154 1.00 0.00 H new ATOM 0 HA VAL A 96 2.016 -6.270 2.215 1.00 0.00 H new ATOM 0 HB VAL A 96 3.862 -8.038 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.496 -9.471 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.918 -9.918 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.995 -9.012 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.276 -7.157 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.816 -6.548 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.296 -5.882 1.676 1.00 0.00 H new ATOM 1109 N VAL A 97 1.014 -6.409 -0.034 1.00 0.00 N ATOM 1110 CA VAL A 97 0.266 -6.405 -1.289 1.00 0.00 C ATOM 1111 C VAL A 97 1.215 -6.177 -2.466 1.00 0.00 C ATOM 1112 O VAL A 97 1.799 -5.103 -2.607 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.833 -5.317 -1.294 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.458 -5.168 -2.677 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.901 -5.641 -0.262 1.00 0.00 C ATOM 0 H VAL A 97 1.423 -5.507 0.210 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.217 -7.377 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.367 -4.367 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.227 -4.396 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.688 -4.887 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.906 -6.115 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.668 -4.867 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.353 -6.604 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.448 -5.685 0.729 1.00 0.00 H new ATOM 1125 N GLU A 98 1.370 -7.195 -3.304 1.00 0.00 N ATOM 1126 CA GLU A 98 2.262 -7.105 -4.460 1.00 0.00 C ATOM 1127 C GLU A 98 1.506 -6.672 -5.719 1.00 0.00 C ATOM 1128 O GLU A 98 0.583 -7.351 -6.168 1.00 0.00 O ATOM 1129 CB GLU A 98 2.952 -8.448 -4.703 1.00 0.00 C ATOM 1130 CG GLU A 98 4.295 -8.576 -4.000 1.00 0.00 C ATOM 1131 CD GLU A 98 4.670 -10.017 -3.713 1.00 0.00 C ATOM 1132 OE1 GLU A 98 5.321 -10.646 -4.574 1.00 0.00 O ATOM 1133 OE2 GLU A 98 4.315 -10.517 -2.625 1.00 0.00 O ATOM 0 H GLU A 98 0.892 -8.091 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 98 3.014 -6.348 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.296 -9.251 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.097 -8.584 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.069 -8.120 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.265 -8.019 -3.063 1.00 0.00 H new ATOM 1140 N ILE A 99 1.910 -5.536 -6.283 1.00 0.00 N ATOM 1141 CA ILE A 99 1.281 -5.007 -7.493 1.00 0.00 C ATOM 1142 C ILE A 99 2.331 -4.525 -8.495 1.00 0.00 C ATOM 1143 O ILE A 99 3.461 -4.202 -8.123 1.00 0.00 O ATOM 1144 CB ILE A 99 0.312 -3.842 -7.182 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.738 -3.100 -5.909 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.113 -4.363 -7.045 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.029 -1.818 -5.668 1.00 0.00 C ATOM 0 H ILE A 99 2.672 -4.962 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 99 0.711 -5.829 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 99 0.348 -3.136 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.604 -3.760 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.802 -2.871 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.784 -3.533 -6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.417 -4.840 -7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.158 -5.090 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.326 -1.348 -4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.125 -1.139 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.091 -2.042 -5.573 1.00 0.00 H new ATOM 1159 N THR A 100 1.955 -4.479 -9.768 1.00 0.00 N ATOM 1160 CA THR A 100 2.870 -4.041 -10.818 1.00 0.00 C ATOM 1161 C THR A 100 2.335 -2.811 -11.555 1.00 0.00 C ATOM 1162 O THR A 100 1.510 -2.933 -12.464 1.00 0.00 O ATOM 1163 CB THR A 100 3.130 -5.163 -11.844 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.285 -6.421 -11.173 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.376 -4.869 -12.667 1.00 0.00 C ATOM 0 H THR A 100 1.026 -4.739 -10.098 1.00 0.00 H new ATOM 0 HA THR A 100 3.806 -3.782 -10.323 1.00 0.00 H new ATOM 0 HB THR A 100 2.272 -5.212 -12.514 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.448 -7.126 -11.834 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.538 -5.675 -13.383 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.245 -3.929 -13.202 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.239 -4.793 -12.006 1.00 0.00 H new ATOM 1173 N PRO A 101 2.799 -1.610 -11.169 1.00 0.00 N ATOM 1174 CA PRO A 101 2.375 -0.351 -11.801 1.00 0.00 C ATOM 1175 C PRO A 101 2.970 -0.174 -13.200 1.00 0.00 C ATOM 1176 O PRO A 101 4.126 0.216 -13.352 1.00 0.00 O ATOM 1177 CB PRO A 101 2.917 0.713 -10.846 1.00 0.00 C ATOM 1178 CG PRO A 101 4.110 0.078 -10.221 1.00 0.00 C ATOM 1179 CD PRO A 101 3.771 -1.379 -10.081 1.00 0.00 C ATOM 0 HA PRO A 101 1.296 -0.305 -11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.186 1.625 -11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.175 0.989 -10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.996 0.216 -10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.327 0.524 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.654 -2.009 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.341 -1.599 -9.104 1.00 0.00 H new ATOM 1187 N GLU A 102 2.176 -0.463 -14.224 1.00 0.00 N ATOM 1188 CA GLU A 102 2.641 -0.343 -15.608 1.00 0.00 C ATOM 1189 C GLU A 102 2.256 1.006 -16.227 1.00 0.00 C ATOM 1190 O GLU A 102 2.494 1.248 -17.412 1.00 0.00 O ATOM 1191 CB GLU A 102 2.081 -1.491 -16.451 1.00 0.00 C ATOM 1192 CG GLU A 102 2.566 -2.865 -16.008 1.00 0.00 C ATOM 1193 CD GLU A 102 1.435 -3.863 -15.837 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.258 -3.453 -15.929 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.727 -5.057 -15.614 1.00 0.00 O ATOM 0 H GLU A 102 1.212 -0.781 -14.127 1.00 0.00 H new ATOM 0 HA GLU A 102 3.730 -0.399 -15.597 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.992 -1.467 -16.405 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.360 -1.335 -17.493 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.275 -3.249 -16.742 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.104 -2.768 -15.065 1.00 0.00 H new ATOM 1202 N GLN A 103 1.677 1.887 -15.417 1.00 0.00 N ATOM 1203 CA GLN A 103 1.265 3.207 -15.884 1.00 0.00 C ATOM 1204 C GLN A 103 1.743 4.295 -14.925 1.00 0.00 C ATOM 1205 O GLN A 103 1.594 4.172 -13.712 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.257 3.273 -16.024 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.724 3.812 -17.366 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.155 4.315 -17.330 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -3.099 3.546 -17.487 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.325 5.609 -17.121 1.00 0.00 N ATOM 0 H GLN A 103 1.482 1.710 -14.432 1.00 0.00 H new ATOM 0 HA GLN A 103 1.720 3.377 -16.860 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.670 2.275 -15.880 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.659 3.902 -15.230 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.066 4.624 -17.676 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.638 3.027 -18.118 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.515 6.216 -16.995 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.266 6.001 -17.086 1.00 0.00 H new ATOM 1219 N ALA A 104 2.322 5.356 -15.476 1.00 0.00 N ATOM 1220 CA ALA A 104 2.818 6.462 -14.664 1.00 0.00 C ATOM 1221 C ALA A 104 1.731 7.508 -14.432 1.00 0.00 C ATOM 1222 O ALA A 104 1.100 7.987 -15.375 1.00 0.00 O ATOM 1223 CB ALA A 104 4.037 7.096 -15.319 1.00 0.00 C ATOM 0 H ALA A 104 2.460 5.474 -16.480 1.00 0.00 H new ATOM 0 HA ALA A 104 3.110 6.062 -13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.395 7.919 -14.701 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.825 6.350 -15.421 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.765 7.474 -16.305 1.00 0.00 H new ATOM 1229 N GLY A 105 1.516 7.852 -13.170 1.00 0.00 N ATOM 1230 CA GLY A 105 0.507 8.836 -12.827 1.00 0.00 C ATOM 1231 C GLY A 105 0.115 8.789 -11.361 1.00 0.00 C ATOM 1232 O GLY A 105 0.883 8.316 -10.520 1.00 0.00 O ATOM 0 H GLY A 105 2.024 7.466 -12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.880 9.832 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.379 8.671 -13.441 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.083 9.275 -11.056 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.580 9.292 -9.684 1.00 0.00 C ATOM 1238 C GLU A 106 -2.582 8.163 -9.437 1.00 0.00 C ATOM 1239 O GLU A 106 -3.568 8.017 -10.158 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.229 10.642 -9.372 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.372 11.542 -8.494 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.890 12.966 -8.433 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.866 13.653 -9.476 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.320 13.397 -7.339 1.00 0.00 O ATOM 0 H GLU A 106 -1.730 9.664 -11.742 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.728 9.139 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.442 11.158 -10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.185 10.470 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.335 11.130 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.350 11.547 -8.874 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.312 7.371 -8.408 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.174 6.252 -8.032 1.00 0.00 C ATOM 1253 C PHE A 107 -3.725 6.470 -6.621 1.00 0.00 C ATOM 1254 O PHE A 107 -3.320 7.408 -5.934 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.393 4.935 -8.110 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.073 4.514 -9.516 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.930 4.975 -10.149 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.915 3.659 -10.205 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.636 4.592 -11.443 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.626 3.270 -11.498 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.484 3.737 -12.119 1.00 0.00 C ATOM 0 H PHE A 107 -1.493 7.483 -7.811 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.011 6.197 -8.728 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.464 5.038 -7.549 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.972 4.149 -7.626 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.261 5.641 -9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.810 3.291 -9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.257 4.961 -11.926 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.292 2.601 -12.023 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.255 3.434 -13.130 1.00 0.00 H new ATOM 1271 N SER A 108 -4.635 5.607 -6.179 1.00 0.00 N ATOM 1272 CA SER A 108 -5.228 5.761 -4.852 1.00 0.00 C ATOM 1273 C SER A 108 -5.659 4.426 -4.244 1.00 0.00 C ATOM 1274 O SER A 108 -5.871 3.441 -4.953 1.00 0.00 O ATOM 1275 CB SER A 108 -6.437 6.697 -4.927 1.00 0.00 C ATOM 1276 OG SER A 108 -7.510 6.094 -5.634 1.00 0.00 O ATOM 0 H SER A 108 -4.975 4.805 -6.710 1.00 0.00 H new ATOM 0 HA SER A 108 -4.459 6.185 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.762 6.957 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.151 7.627 -5.419 1.00 0.00 H new ATOM 0 HG SER A 108 -7.161 5.627 -6.422 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.774 4.416 -2.918 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.202 3.230 -2.175 1.00 0.00 C ATOM 1284 C PHE A 109 -6.944 3.640 -0.900 1.00 0.00 C ATOM 1285 O PHE A 109 -6.468 4.482 -0.138 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.008 2.318 -1.837 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.900 2.977 -1.058 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.923 3.718 -1.705 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.828 2.844 0.320 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.901 4.315 -0.992 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.806 3.436 1.037 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.842 4.174 0.381 1.00 0.00 C ATOM 0 H PHE A 109 -5.575 5.225 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.882 2.663 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.373 1.464 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.595 1.927 -2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.961 3.830 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.581 2.270 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.148 4.892 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.762 3.321 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.044 4.640 0.939 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.118 3.053 -0.679 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.921 3.377 0.500 1.00 0.00 C ATOM 1304 C ALA A 110 -9.980 2.313 0.781 1.00 0.00 C ATOM 1305 O ALA A 110 -10.178 1.392 -0.011 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.591 4.733 0.315 1.00 0.00 C ATOM 0 H ALA A 110 -8.533 2.355 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.248 3.410 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.187 4.968 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.829 5.500 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.237 4.703 -0.562 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.659 2.449 1.915 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.710 1.514 2.300 1.00 0.00 C ATOM 1314 C CYS A 111 -13.043 2.243 2.472 1.00 0.00 C ATOM 1315 O CYS A 111 -13.118 3.264 3.155 1.00 0.00 O ATOM 1316 CB CYS A 111 -11.340 0.791 3.597 1.00 0.00 C ATOM 1317 SG CYS A 111 -12.634 -0.305 4.228 1.00 0.00 S ATOM 0 H CYS A 111 -10.499 3.201 2.586 1.00 0.00 H new ATOM 0 HA CYS A 111 -11.814 0.776 1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.435 0.208 3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -11.104 1.533 4.359 1.00 0.00 H new ATOM 0 HG CYS A 111 -12.226 -0.871 5.325 1.00 0.00 H new ATOM 1323 N GLY A 112 -14.092 1.710 1.847 1.00 0.00 N ATOM 1324 CA GLY A 112 -15.410 2.326 1.937 1.00 0.00 C ATOM 1325 C GLY A 112 -16.107 2.053 3.262 1.00 0.00 C ATOM 1326 O GLY A 112 -17.088 1.311 3.315 1.00 0.00 O ATOM 0 H GLY A 112 -14.054 0.863 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.311 3.403 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -16.033 1.957 1.123 1.00 0.00 H new ATOM 1330 N MET A 113 -15.599 2.658 4.331 1.00 0.00 N ATOM 1331 CA MET A 113 -16.173 2.484 5.665 1.00 0.00 C ATOM 1332 C MET A 113 -16.145 3.789 6.465 1.00 0.00 C ATOM 1333 O MET A 113 -17.017 4.036 7.298 1.00 0.00 O ATOM 1334 CB MET A 113 -15.417 1.392 6.424 1.00 0.00 C ATOM 1335 CG MET A 113 -16.310 0.277 6.945 1.00 0.00 C ATOM 1336 SD MET A 113 -15.446 -1.298 7.076 1.00 0.00 S ATOM 1337 CE MET A 113 -16.427 -2.120 8.330 1.00 0.00 C ATOM 0 H MET A 113 -14.788 3.276 4.301 1.00 0.00 H new ATOM 0 HA MET A 113 -17.215 2.188 5.542 1.00 0.00 H new ATOM 0 HB2 MET A 113 -14.661 0.962 5.767 1.00 0.00 H new ATOM 0 HB3 MET A 113 -14.889 1.845 7.264 1.00 0.00 H new ATOM 0 HG2 MET A 113 -16.700 0.556 7.924 1.00 0.00 H new ATOM 0 HG3 MET A 113 -17.167 0.163 6.281 1.00 0.00 H new ATOM 0 HE1 MET A 113 -16.016 -3.111 8.522 1.00 0.00 H new ATOM 0 HE2 MET A 113 -16.407 -1.535 9.249 1.00 0.00 H new ATOM 0 HE3 MET A 113 -17.456 -2.215 7.983 1.00 0.00 H new ATOM 1347 N ASN A 114 -15.135 4.620 6.212 1.00 0.00 N ATOM 1348 CA ASN A 114 -14.996 5.897 6.909 1.00 0.00 C ATOM 1349 C ASN A 114 -14.170 6.889 6.084 1.00 0.00 C ATOM 1350 O ASN A 114 -14.030 6.733 4.872 1.00 0.00 O ATOM 1351 CB ASN A 114 -14.347 5.683 8.280 1.00 0.00 C ATOM 1352 CG ASN A 114 -15.207 6.205 9.414 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -14.785 7.063 10.182 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -16.424 5.695 9.522 1.00 0.00 N ATOM 0 H ASN A 114 -14.401 4.431 5.529 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.992 6.317 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -14.161 4.619 8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.378 6.182 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -17.047 6.015 10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -16.739 4.983 8.863 1.00 0.00 H new ATOM 1361 N MET A 115 -13.623 7.907 6.748 1.00 0.00 N ATOM 1362 CA MET A 115 -12.812 8.920 6.074 1.00 0.00 C ATOM 1363 C MET A 115 -11.398 8.403 5.791 1.00 0.00 C ATOM 1364 O MET A 115 -10.445 8.740 6.498 1.00 0.00 O ATOM 1365 CB MET A 115 -12.749 10.196 6.917 1.00 0.00 C ATOM 1366 CG MET A 115 -12.700 11.472 6.091 1.00 0.00 C ATOM 1367 SD MET A 115 -11.590 12.710 6.789 1.00 0.00 S ATOM 1368 CE MET A 115 -10.060 12.309 5.949 1.00 0.00 C ATOM 0 H MET A 115 -13.727 8.052 7.752 1.00 0.00 H new ATOM 0 HA MET A 115 -13.285 9.147 5.119 1.00 0.00 H new ATOM 0 HB2 MET A 115 -13.619 10.231 7.573 1.00 0.00 H new ATOM 0 HB3 MET A 115 -11.868 10.154 7.558 1.00 0.00 H new ATOM 0 HG2 MET A 115 -12.379 11.232 5.078 1.00 0.00 H new ATOM 0 HG3 MET A 115 -13.704 11.891 6.016 1.00 0.00 H new ATOM 0 HE1 MET A 115 -9.275 12.991 6.277 1.00 0.00 H new ATOM 0 HE2 MET A 115 -9.773 11.284 6.185 1.00 0.00 H new ATOM 0 HE3 MET A 115 -10.199 12.407 4.872 1.00 0.00 H new ATOM 1378 N MET A 116 -11.270 7.584 4.755 1.00 0.00 N ATOM 1379 CA MET A 116 -9.979 7.017 4.374 1.00 0.00 C ATOM 1380 C MET A 116 -9.222 7.953 3.430 1.00 0.00 C ATOM 1381 O MET A 116 -9.828 8.699 2.657 1.00 0.00 O ATOM 1382 CB MET A 116 -10.180 5.653 3.712 1.00 0.00 C ATOM 1383 CG MET A 116 -9.932 4.471 4.641 1.00 0.00 C ATOM 1384 SD MET A 116 -10.227 4.862 6.377 1.00 0.00 S ATOM 1385 CE MET A 116 -8.549 5.097 6.952 1.00 0.00 C ATOM 0 H MET A 116 -12.047 7.295 4.160 1.00 0.00 H new ATOM 0 HA MET A 116 -9.383 6.893 5.278 1.00 0.00 H new ATOM 0 HB2 MET A 116 -11.199 5.593 3.329 1.00 0.00 H new ATOM 0 HB3 MET A 116 -9.512 5.575 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 116 -10.577 3.643 4.346 1.00 0.00 H new ATOM 0 HG3 MET A 116 -8.903 4.132 4.521 1.00 0.00 H new ATOM 0 HE1 MET A 116 -8.372 4.468 7.825 1.00 0.00 H new ATOM 0 HE2 MET A 116 -7.851 4.823 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.400 6.143 7.222 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.892 7.915 3.496 1.00 0.00 N ATOM 1396 CA HIS A 117 -7.061 8.769 2.647 1.00 0.00 C ATOM 1397 C HIS A 117 -5.732 8.099 2.294 1.00 0.00 C ATOM 1398 O HIS A 117 -4.828 8.017 3.124 1.00 0.00 O ATOM 1399 CB HIS A 117 -6.798 10.106 3.345 1.00 0.00 C ATOM 1400 CG HIS A 117 -7.520 11.262 2.722 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -8.820 11.178 2.268 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -7.121 12.533 2.480 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -9.189 12.346 1.773 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -8.176 13.184 1.890 1.00 0.00 N ATOM 0 H HIS A 117 -7.369 7.306 4.125 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.606 8.940 1.719 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.095 10.025 4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.727 10.308 3.332 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.405 10.344 2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.154 12.956 2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -10.154 12.576 1.346 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.622 7.631 1.054 1.00 0.00 N ATOM 1413 CA GLY A 118 -4.403 6.980 0.600 1.00 0.00 C ATOM 1414 C GLY A 118 -4.117 7.252 -0.869 1.00 0.00 C ATOM 1415 O GLY A 118 -4.934 6.932 -1.734 1.00 0.00 O ATOM 0 H GLY A 118 -6.359 7.691 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.563 7.326 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.487 5.905 0.759 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.960 7.841 -1.154 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.585 8.166 -2.530 1.00 0.00 C ATOM 1421 C LYS A 119 -1.252 7.523 -2.926 1.00 0.00 C ATOM 1422 O LYS A 119 -0.388 7.281 -2.084 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.500 9.685 -2.698 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.721 10.160 -4.126 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.179 11.566 -4.339 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.210 12.624 -3.976 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.024 13.875 -4.762 1.00 0.00 N ATOM 0 H LYS A 119 -2.266 8.103 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.355 7.763 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.241 10.154 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.521 10.024 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.234 9.473 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.786 10.142 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.283 11.707 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.882 11.688 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.211 12.230 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.139 12.850 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.796 14.538 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.113 14.310 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.033 13.651 -5.778 1.00 0.00 H new ATOM 1441 N MET A 120 -1.101 7.247 -4.216 1.00 0.00 N ATOM 1442 CA MET A 120 0.123 6.643 -4.739 1.00 0.00 C ATOM 1443 C MET A 120 0.581 7.361 -6.011 1.00 0.00 C ATOM 1444 O MET A 120 -0.235 7.735 -6.848 1.00 0.00 O ATOM 1445 CB MET A 120 -0.109 5.156 -5.028 1.00 0.00 C ATOM 1446 CG MET A 120 1.110 4.441 -5.591 1.00 0.00 C ATOM 1447 SD MET A 120 0.702 3.346 -6.961 1.00 0.00 S ATOM 1448 CE MET A 120 0.286 1.847 -6.080 1.00 0.00 C ATOM 0 H MET A 120 -1.813 7.432 -4.923 1.00 0.00 H new ATOM 0 HA MET A 120 0.906 6.743 -3.987 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.416 4.660 -4.107 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.934 5.057 -5.733 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.837 5.180 -5.926 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.585 3.863 -4.798 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.685 0.987 -6.617 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.716 1.882 -5.079 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.798 1.757 -6.006 1.00 0.00 H new ATOM 1458 N ILE A 121 1.885 7.563 -6.148 1.00 0.00 N ATOM 1459 CA ILE A 121 2.429 8.232 -7.330 1.00 0.00 C ATOM 1460 C ILE A 121 3.461 7.346 -8.029 1.00 0.00 C ATOM 1461 O ILE A 121 4.474 6.963 -7.438 1.00 0.00 O ATOM 1462 CB ILE A 121 3.069 9.597 -6.976 1.00 0.00 C ATOM 1463 CG1 ILE A 121 2.009 10.562 -6.437 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.753 10.203 -8.196 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.979 10.654 -4.928 1.00 0.00 C ATOM 0 H ILE A 121 2.584 7.277 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 121 1.593 8.413 -8.006 1.00 0.00 H new ATOM 0 HB ILE A 121 3.819 9.430 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.192 11.555 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.028 10.245 -6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.196 11.162 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.534 9.529 -8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.019 10.353 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.204 11.356 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.765 9.671 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.947 11.001 -4.565 1.00 0.00 H new ATOM 1477 N VAL A 122 3.194 7.018 -9.288 1.00 0.00 N ATOM 1478 CA VAL A 122 4.093 6.173 -10.067 1.00 0.00 C ATOM 1479 C VAL A 122 4.897 7.000 -11.073 1.00 0.00 C ATOM 1480 O VAL A 122 4.334 7.700 -11.915 1.00 0.00 O ATOM 1481 CB VAL A 122 3.315 5.066 -10.812 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.249 4.225 -11.669 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.565 4.188 -9.822 1.00 0.00 C ATOM 0 H VAL A 122 2.362 7.324 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 122 4.783 5.706 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 122 2.592 5.545 -11.472 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.676 3.453 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.740 4.862 -12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 122 5.002 3.756 -11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.022 3.413 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.275 3.724 -9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.860 4.798 -9.256 1.00 0.00 H new ATOM 1493 N GLU A 123 6.220 6.908 -10.984 1.00 0.00 N ATOM 1494 CA GLU A 123 7.107 7.651 -11.880 1.00 0.00 C ATOM 1495 C GLU A 123 7.435 6.845 -13.141 1.00 0.00 C ATOM 1496 O GLU A 123 8.176 5.842 -13.024 1.00 0.00 O ATOM 1497 CB GLU A 123 8.399 8.030 -11.150 1.00 0.00 C ATOM 1498 CG GLU A 123 8.550 9.525 -10.906 1.00 0.00 C ATOM 1499 CD GLU A 123 9.287 10.232 -12.029 1.00 0.00 C ATOM 1500 OE1 GLU A 123 9.098 9.838 -13.201 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.048 11.178 -11.739 1.00 0.00 O ATOM 0 H GLU A 123 6.705 6.326 -10.300 1.00 0.00 H new ATOM 0 HA GLU A 123 6.586 8.558 -12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.430 7.510 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.251 7.678 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.562 9.971 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.085 9.684 -9.970 1.00 0.00 H new TER 1508 GLU A 123