USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=17 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 111 CYS SG : rot 122:sc= 0.0298 USER MOD Set 1.2: A 113 MET CE :methyl -158:sc= -0.146 (180deg=-0.723) USER MOD Set 2.1: A 74 CYS SG : rot -140:sc= 0.61 USER MOD Set 2.2: A 114 ASN : amide:sc= 1.48 K(o=2.1,f=-5.7!) USER MOD Set 3.1: A 34 GLN : amide:sc= 1.26 K(o=1.9,f=0.55) USER MOD Set 3.2: A 39 GLN : amide:sc= 0.679 K(o=1.9,f=0.55) USER MOD Set 4.1: A 33 GLN : amide:sc= 0.636 K(o=3,f=-8.1!) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 140:sc= 2.39 (180deg=-0.0978) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.3 USER MOD Single : A 50 THR OG1 : rot -165:sc= -0.489 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -40:sc= 1.12 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 81:sc= 1.28 USER MOD Single : A 77 GLN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.236 K(o=-0.24,f=-5.4!) USER MOD Single : A 88 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.43) USER MOD Single : A 91 MET CE :methyl -144:sc= 0 (180deg=-0.525) 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 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl -178:sc=-5.99e-05 (180deg=-0.0136) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 119 LYS NZ :NH3+ -107:sc= 1.29 (180deg=-0.558) USER MOD Single : A 120 MET CE :methyl -149:sc= -0.207 (180deg=-2.04) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 10.096 18.527 -0.480 1.00 0.00 N ATOM 2 CA GLY A 26 10.892 17.265 -0.365 1.00 0.00 C ATOM 3 C GLY A 26 10.396 16.373 0.760 1.00 0.00 C ATOM 4 O GLY A 26 10.854 15.240 0.925 1.00 0.00 O ATOM 0 HA2 GLY A 26 10.843 16.719 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.940 17.513 -0.195 1.00 0.00 H new ATOM 7 N ALA A 27 9.453 16.896 1.533 1.00 0.00 N ATOM 8 CA ALA A 27 8.873 16.163 2.655 1.00 0.00 C ATOM 9 C ALA A 27 7.393 15.854 2.417 1.00 0.00 C ATOM 10 O ALA A 27 6.693 15.382 3.313 1.00 0.00 O ATOM 11 CB ALA A 27 9.052 16.951 3.945 1.00 0.00 C ATOM 0 H ALA A 27 9.070 17.832 1.403 1.00 0.00 H new ATOM 0 HA ALA A 27 9.399 15.212 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.616 16.395 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.115 17.107 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.554 17.916 3.854 1.00 0.00 H new ATOM 17 N MET A 28 6.924 16.121 1.202 1.00 0.00 N ATOM 18 CA MET A 28 5.528 15.873 0.848 1.00 0.00 C ATOM 19 C MET A 28 5.330 14.444 0.338 1.00 0.00 C ATOM 20 O MET A 28 5.441 14.177 -0.859 1.00 0.00 O ATOM 21 CB MET A 28 5.061 16.877 -0.208 1.00 0.00 C ATOM 22 CG MET A 28 3.765 17.583 0.154 1.00 0.00 C ATOM 23 SD MET A 28 2.837 18.121 -1.295 1.00 0.00 S ATOM 24 CE MET A 28 1.458 18.962 -0.522 1.00 0.00 C ATOM 0 H MET A 28 7.488 16.509 0.446 1.00 0.00 H new ATOM 0 HA MET A 28 4.927 15.998 1.749 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.841 17.623 -0.358 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.929 16.358 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.145 16.913 0.749 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.989 18.448 0.778 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.792 19.352 -1.292 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.912 18.261 0.109 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.830 19.786 0.088 1.00 0.00 H new ATOM 34 N GLY A 29 5.038 13.529 1.258 1.00 0.00 N ATOM 35 CA GLY A 29 4.826 12.139 0.884 1.00 0.00 C ATOM 36 C GLY A 29 5.905 11.214 1.421 1.00 0.00 C ATOM 37 O GLY A 29 6.703 11.605 2.274 1.00 0.00 O ATOM 0 H GLY A 29 4.944 13.723 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.855 11.812 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.794 12.061 -0.203 1.00 0.00 H new ATOM 41 N GLN A 30 5.917 9.979 0.935 1.00 0.00 N ATOM 42 CA GLN A 30 6.910 8.997 1.364 1.00 0.00 C ATOM 43 C GLN A 30 7.416 8.169 0.183 1.00 0.00 C ATOM 44 O GLN A 30 6.631 7.607 -0.581 1.00 0.00 O ATOM 45 CB GLN A 30 6.321 8.073 2.435 1.00 0.00 C ATOM 46 CG GLN A 30 7.005 8.190 3.789 1.00 0.00 C ATOM 47 CD GLN A 30 6.143 8.886 4.825 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.606 8.252 5.729 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.001 10.196 4.702 1.00 0.00 N ATOM 0 H GLN A 30 5.252 9.632 0.244 1.00 0.00 H new ATOM 0 HA GLN A 30 7.754 9.541 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.261 8.298 2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.391 7.041 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.263 7.194 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.940 8.739 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.462 10.689 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.430 10.712 5.371 1.00 0.00 H new ATOM 58 N LYS A 31 8.733 8.097 0.040 1.00 0.00 N ATOM 59 CA LYS A 31 9.339 7.334 -1.045 1.00 0.00 C ATOM 60 C LYS A 31 9.622 5.900 -0.609 1.00 0.00 C ATOM 61 O LYS A 31 10.226 5.663 0.438 1.00 0.00 O ATOM 62 CB LYS A 31 10.630 8.002 -1.515 1.00 0.00 C ATOM 63 CG LYS A 31 10.586 8.425 -2.971 1.00 0.00 C ATOM 64 CD LYS A 31 11.777 9.291 -3.340 1.00 0.00 C ATOM 65 CE LYS A 31 13.012 8.442 -3.580 1.00 0.00 C ATOM 66 NZ LYS A 31 14.247 9.270 -3.680 1.00 0.00 N ATOM 0 H LYS A 31 9.401 8.556 0.659 1.00 0.00 H new ATOM 0 HA LYS A 31 8.632 7.311 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.826 8.877 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.462 7.314 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.569 7.540 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.664 8.973 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.548 9.868 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.973 10.006 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.122 7.724 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.885 7.868 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.067 8.652 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.154 9.938 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.383 9.798 -2.795 1.00 0.00 H new ATOM 80 N ALA A 32 9.172 4.949 -1.417 1.00 0.00 N ATOM 81 CA ALA A 32 9.377 3.534 -1.123 1.00 0.00 C ATOM 82 C ALA A 32 10.829 3.121 -1.364 1.00 0.00 C ATOM 83 O ALA A 32 11.525 3.708 -2.195 1.00 0.00 O ATOM 84 CB ALA A 32 8.433 2.685 -1.960 1.00 0.00 C ATOM 0 H ALA A 32 8.662 5.130 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 32 9.158 3.370 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.594 1.631 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.402 2.953 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.626 2.862 -3.018 1.00 0.00 H new ATOM 90 N GLN A 33 11.281 2.102 -0.641 1.00 0.00 N ATOM 91 CA GLN A 33 12.655 1.625 -0.772 1.00 0.00 C ATOM 92 C GLN A 33 12.815 0.707 -1.985 1.00 0.00 C ATOM 93 O GLN A 33 11.932 -0.098 -2.298 1.00 0.00 O ATOM 94 CB GLN A 33 13.097 0.905 0.510 1.00 0.00 C ATOM 95 CG GLN A 33 12.425 -0.445 0.732 1.00 0.00 C ATOM 96 CD GLN A 33 12.637 -0.987 2.135 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.017 -2.141 2.315 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.386 -0.162 3.138 1.00 0.00 N ATOM 0 H GLN A 33 10.719 1.591 0.040 1.00 0.00 H new ATOM 0 HA GLN A 33 13.296 2.493 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.177 0.760 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.887 1.548 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.356 -0.348 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.813 -1.162 0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.072 0.790 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.507 -0.478 4.100 1.00 0.00 H new ATOM 107 N GLN A 34 13.944 0.842 -2.672 1.00 0.00 N ATOM 108 CA GLN A 34 14.230 0.024 -3.848 1.00 0.00 C ATOM 109 C GLN A 34 15.106 -1.170 -3.472 1.00 0.00 C ATOM 110 O GLN A 34 16.254 -1.006 -3.058 1.00 0.00 O ATOM 111 CB GLN A 34 14.921 0.862 -4.927 1.00 0.00 C ATOM 112 CG GLN A 34 14.039 1.954 -5.512 1.00 0.00 C ATOM 113 CD GLN A 34 14.582 2.510 -6.816 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.614 3.172 -6.841 1.00 0.00 O ATOM 115 NE2 GLN A 34 13.887 2.244 -7.909 1.00 0.00 N ATOM 0 H GLN A 34 14.677 1.510 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 34 13.285 -0.348 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.815 1.318 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.250 0.203 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.038 1.556 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.942 2.764 -4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.033 1.690 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.205 2.593 -8.813 1.00 0.00 H new ATOM 124 N LYS A 35 14.554 -2.369 -3.610 1.00 0.00 N ATOM 125 CA LYS A 35 15.281 -3.594 -3.282 1.00 0.00 C ATOM 126 C LYS A 35 15.938 -4.207 -4.526 1.00 0.00 C ATOM 127 O LYS A 35 16.302 -3.498 -5.466 1.00 0.00 O ATOM 128 CB LYS A 35 14.334 -4.605 -2.626 1.00 0.00 C ATOM 129 CG LYS A 35 13.452 -4.007 -1.540 1.00 0.00 C ATOM 130 CD LYS A 35 14.006 -4.287 -0.150 1.00 0.00 C ATOM 131 CE LYS A 35 13.145 -5.286 0.608 1.00 0.00 C ATOM 132 NZ LYS A 35 12.878 -4.842 2.005 1.00 0.00 N ATOM 0 H LYS A 35 13.604 -2.522 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 35 16.075 -3.339 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.699 -5.045 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.924 -5.415 -2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.370 -2.930 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.446 -4.418 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.022 -4.672 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.064 -3.356 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.199 -5.422 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.643 -6.256 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.893 -5.060 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.519 -5.339 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.035 -3.817 2.079 1.00 0.00 H new ATOM 146 N ASN A 36 16.075 -5.532 -4.535 1.00 0.00 N ATOM 147 CA ASN A 36 16.703 -6.237 -5.654 1.00 0.00 C ATOM 148 C ASN A 36 15.731 -6.472 -6.817 1.00 0.00 C ATOM 149 O ASN A 36 15.289 -7.597 -7.053 1.00 0.00 O ATOM 150 CB ASN A 36 17.267 -7.577 -5.171 1.00 0.00 C ATOM 151 CG ASN A 36 18.482 -8.017 -5.965 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.616 -7.717 -5.607 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.249 -8.732 -7.054 1.00 0.00 N ATOM 0 H ASN A 36 15.760 -6.141 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 36 17.508 -5.604 -6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.535 -7.496 -4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.493 -8.341 -5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.028 -9.054 -7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.291 -8.961 -7.318 1.00 0.00 H new ATOM 160 N GLY A 37 15.402 -5.405 -7.543 1.00 0.00 N ATOM 161 CA GLY A 37 14.503 -5.525 -8.685 1.00 0.00 C ATOM 162 C GLY A 37 13.051 -5.208 -8.359 1.00 0.00 C ATOM 163 O GLY A 37 12.206 -5.179 -9.253 1.00 0.00 O ATOM 0 H GLY A 37 15.740 -4.460 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.843 -4.855 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.564 -6.540 -9.079 1.00 0.00 H new ATOM 167 N TYR A 38 12.759 -4.972 -7.086 1.00 0.00 N ATOM 168 CA TYR A 38 11.398 -4.659 -6.651 1.00 0.00 C ATOM 169 C TYR A 38 11.411 -3.589 -5.560 1.00 0.00 C ATOM 170 O TYR A 38 12.434 -3.365 -4.919 1.00 0.00 O ATOM 171 CB TYR A 38 10.688 -5.929 -6.152 1.00 0.00 C ATOM 172 CG TYR A 38 11.314 -6.565 -4.925 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.442 -7.368 -5.029 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.766 -6.367 -3.663 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.008 -7.955 -3.914 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.327 -6.951 -2.542 1.00 0.00 C ATOM 177 CZ TYR A 38 12.447 -7.743 -2.673 1.00 0.00 C ATOM 178 OH TYR A 38 13.007 -8.325 -1.559 1.00 0.00 O ATOM 0 H TYR A 38 13.447 -4.991 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 38 10.847 -4.267 -7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.650 -5.684 -5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.676 -6.662 -6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.885 -7.537 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.888 -5.747 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.885 -8.577 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.889 -6.787 -1.568 1.00 0.00 H new ATOM 0 HH TYR A 38 12.491 -8.074 -0.764 1.00 0.00 H new ATOM 188 N GLN A 39 10.281 -2.924 -5.356 1.00 0.00 N ATOM 189 CA GLN A 39 10.194 -1.882 -4.332 1.00 0.00 C ATOM 190 C GLN A 39 9.316 -2.321 -3.163 1.00 0.00 C ATOM 191 O GLN A 39 8.437 -3.172 -3.314 1.00 0.00 O ATOM 192 CB GLN A 39 9.659 -0.570 -4.914 1.00 0.00 C ATOM 193 CG GLN A 39 9.859 -0.420 -6.414 1.00 0.00 C ATOM 194 CD GLN A 39 10.581 0.863 -6.784 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.513 0.856 -7.582 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.155 1.974 -6.205 1.00 0.00 N ATOM 0 H GLN A 39 9.419 -3.082 -5.878 1.00 0.00 H new ATOM 0 HA GLN A 39 11.206 -1.715 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.594 -0.496 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.148 0.263 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.427 -1.272 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.888 -0.442 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.377 1.940 -5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.605 2.865 -6.417 1.00 0.00 H new ATOM 205 N GLU A 40 9.553 -1.722 -2.003 1.00 0.00 N ATOM 206 CA GLU A 40 8.799 -2.054 -0.797 1.00 0.00 C ATOM 207 C GLU A 40 8.568 -0.819 0.080 1.00 0.00 C ATOM 208 O GLU A 40 9.427 0.058 0.176 1.00 0.00 O ATOM 209 CB GLU A 40 9.547 -3.127 -0.001 1.00 0.00 C ATOM 210 CG GLU A 40 8.722 -3.773 1.102 1.00 0.00 C ATOM 211 CD GLU A 40 9.508 -3.957 2.386 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.153 -5.019 2.544 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.487 -3.037 3.230 1.00 0.00 O ATOM 0 H GLU A 40 10.263 -1.002 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 40 7.824 -2.434 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.886 -3.903 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.438 -2.681 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.845 -3.158 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.360 -4.743 0.760 1.00 0.00 H new ATOM 220 N ILE A 41 7.404 -0.756 0.712 1.00 0.00 N ATOM 221 CA ILE A 41 7.070 0.363 1.594 1.00 0.00 C ATOM 222 C ILE A 41 6.222 -0.102 2.782 1.00 0.00 C ATOM 223 O ILE A 41 5.223 -0.805 2.611 1.00 0.00 O ATOM 224 CB ILE A 41 6.333 1.501 0.836 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.753 2.522 1.818 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.231 0.941 -0.049 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.381 3.897 1.716 1.00 0.00 C ATOM 0 H ILE A 41 6.674 -1.464 0.633 1.00 0.00 H new ATOM 0 HA ILE A 41 8.015 0.759 1.966 1.00 0.00 H new ATOM 0 HB ILE A 41 7.063 2.004 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.680 2.609 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.882 2.149 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.731 1.758 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.663 0.257 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.508 0.405 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.917 4.564 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.449 3.825 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.229 4.293 0.712 1.00 0.00 H new ATOM 239 N ARG A 42 6.640 0.280 3.986 1.00 0.00 N ATOM 240 CA ARG A 42 5.921 -0.085 5.201 1.00 0.00 C ATOM 241 C ARG A 42 4.867 0.966 5.553 1.00 0.00 C ATOM 242 O ARG A 42 5.192 2.073 5.983 1.00 0.00 O ATOM 243 CB ARG A 42 6.898 -0.258 6.366 1.00 0.00 C ATOM 244 CG ARG A 42 6.694 -1.544 7.150 1.00 0.00 C ATOM 245 CD ARG A 42 7.881 -1.838 8.055 1.00 0.00 C ATOM 246 NE ARG A 42 7.692 -3.063 8.830 1.00 0.00 N ATOM 247 CZ ARG A 42 8.625 -3.598 9.601 1.00 0.00 C ATOM 248 NH1 ARG A 42 9.803 -3.031 9.710 1.00 0.00 N ATOM 249 NH2 ARG A 42 8.381 -4.698 10.269 1.00 0.00 N ATOM 0 H ARG A 42 7.475 0.844 4.145 1.00 0.00 H new ATOM 0 HA ARG A 42 5.413 -1.032 5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.917 -0.236 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.796 0.590 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.788 -1.466 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.548 -2.374 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.784 -1.928 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.034 -1.000 8.735 1.00 0.00 H new ATOM 0 HE ARG A 42 6.788 -3.533 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.005 -2.172 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.517 -3.449 10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.468 -5.147 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.104 -5.106 10.862 1.00 0.00 H new ATOM 263 N VAL A 43 3.605 0.607 5.364 1.00 0.00 N ATOM 264 CA VAL A 43 2.492 1.504 5.655 1.00 0.00 C ATOM 265 C VAL A 43 1.864 1.165 7.006 1.00 0.00 C ATOM 266 O VAL A 43 1.198 0.138 7.159 1.00 0.00 O ATOM 267 CB VAL A 43 1.420 1.442 4.542 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.290 2.423 4.814 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.046 1.727 3.188 1.00 0.00 C ATOM 0 H VAL A 43 3.324 -0.306 5.008 1.00 0.00 H new ATOM 0 HA VAL A 43 2.887 2.519 5.695 1.00 0.00 H new ATOM 0 HB VAL A 43 1.002 0.435 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.449 2.357 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.182 2.180 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.690 3.436 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.279 1.680 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.492 2.721 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.817 0.985 2.980 1.00 0.00 H new ATOM 279 N GLU A 44 2.099 2.029 7.988 1.00 0.00 N ATOM 280 CA GLU A 44 1.561 1.831 9.330 1.00 0.00 C ATOM 281 C GLU A 44 0.060 2.115 9.366 1.00 0.00 C ATOM 282 O GLU A 44 -0.390 3.208 9.017 1.00 0.00 O ATOM 283 CB GLU A 44 2.291 2.729 10.332 1.00 0.00 C ATOM 284 CG GLU A 44 2.591 2.051 11.660 1.00 0.00 C ATOM 285 CD GLU A 44 3.965 1.408 11.696 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.223 0.507 10.867 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.785 1.808 12.548 1.00 0.00 O ATOM 0 H GLU A 44 2.659 2.874 7.880 1.00 0.00 H new ATOM 0 HA GLU A 44 1.718 0.789 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.227 3.067 9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.687 3.617 10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.518 2.785 12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.834 1.291 11.854 1.00 0.00 H new ATOM 294 N VAL A 45 -0.707 1.116 9.788 1.00 0.00 N ATOM 295 CA VAL A 45 -2.158 1.240 9.866 1.00 0.00 C ATOM 296 C VAL A 45 -2.616 1.451 11.315 1.00 0.00 C ATOM 297 O VAL A 45 -2.776 0.500 12.087 1.00 0.00 O ATOM 298 CB VAL A 45 -2.843 -0.008 9.255 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.337 -0.018 9.525 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.578 -0.073 7.758 1.00 0.00 C ATOM 0 H VAL A 45 -0.347 0.208 10.082 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.454 2.116 9.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.415 -0.888 9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.781 -0.909 9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.512 -0.023 10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.792 0.871 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.065 -0.954 7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.975 0.822 7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.504 -0.133 7.581 1.00 0.00 H new ATOM 310 N MET A 46 -2.800 2.717 11.680 1.00 0.00 N ATOM 311 CA MET A 46 -3.245 3.083 13.026 1.00 0.00 C ATOM 312 C MET A 46 -4.134 4.326 12.974 1.00 0.00 C ATOM 313 O MET A 46 -3.657 5.456 13.072 1.00 0.00 O ATOM 314 CB MET A 46 -2.045 3.329 13.949 1.00 0.00 C ATOM 315 CG MET A 46 -0.877 4.024 13.267 1.00 0.00 C ATOM 316 SD MET A 46 0.667 3.844 14.179 1.00 0.00 S ATOM 317 CE MET A 46 0.497 5.147 15.396 1.00 0.00 C ATOM 0 H MET A 46 -2.647 3.512 11.060 1.00 0.00 H new ATOM 0 HA MET A 46 -3.825 2.253 13.430 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.369 3.932 14.797 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.704 2.374 14.348 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.752 3.616 12.264 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.106 5.084 13.153 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.378 5.163 16.038 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.400 6.107 14.890 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.390 4.965 16.002 1.00 0.00 H new ATOM 327 N GLY A 47 -5.435 4.105 12.813 1.00 0.00 N ATOM 328 CA GLY A 47 -6.375 5.215 12.721 1.00 0.00 C ATOM 329 C GLY A 47 -6.429 5.786 11.312 1.00 0.00 C ATOM 330 O GLY A 47 -7.164 6.733 11.036 1.00 0.00 O ATOM 0 H GLY A 47 -5.858 3.179 12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.368 4.877 13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.084 5.998 13.421 1.00 0.00 H new ATOM 334 N GLY A 48 -5.636 5.190 10.426 1.00 0.00 N ATOM 335 CA GLY A 48 -5.574 5.619 9.045 1.00 0.00 C ATOM 336 C GLY A 48 -4.306 5.134 8.364 1.00 0.00 C ATOM 337 O GLY A 48 -3.863 4.010 8.603 1.00 0.00 O ATOM 0 H GLY A 48 -5.026 4.404 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.444 5.241 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.619 6.707 8.999 1.00 0.00 H new ATOM 341 N TYR A 49 -3.715 5.980 7.531 1.00 0.00 N ATOM 342 CA TYR A 49 -2.487 5.628 6.820 1.00 0.00 C ATOM 343 C TYR A 49 -1.373 6.623 7.148 1.00 0.00 C ATOM 344 O TYR A 49 -1.575 7.833 7.063 1.00 0.00 O ATOM 345 CB TYR A 49 -2.746 5.607 5.306 1.00 0.00 C ATOM 346 CG TYR A 49 -3.880 4.691 4.900 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.755 3.310 4.991 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.081 5.211 4.428 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.795 2.473 4.627 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.122 4.380 4.063 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.975 3.015 4.163 1.00 0.00 C ATOM 352 OH TYR A 49 -7.013 2.188 3.801 1.00 0.00 O ATOM 0 H TYR A 49 -4.064 6.917 7.329 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.170 4.636 7.142 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.969 6.619 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.836 5.294 4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.831 2.883 5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.201 6.281 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.683 1.402 4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.049 4.800 3.700 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.838 2.712 3.728 1.00 0.00 H new ATOM 362 N THR A 50 -0.199 6.113 7.533 1.00 0.00 N ATOM 363 CA THR A 50 0.932 6.987 7.866 1.00 0.00 C ATOM 364 C THR A 50 1.472 7.698 6.614 1.00 0.00 C ATOM 365 O THR A 50 1.441 8.929 6.551 1.00 0.00 O ATOM 366 CB THR A 50 2.062 6.228 8.606 1.00 0.00 C ATOM 367 OG1 THR A 50 1.628 5.875 9.924 1.00 0.00 O ATOM 368 CG2 THR A 50 3.329 7.069 8.706 1.00 0.00 C ATOM 0 H THR A 50 -0.007 5.115 7.621 1.00 0.00 H new ATOM 0 HA THR A 50 0.555 7.745 8.552 1.00 0.00 H new ATOM 0 HB THR A 50 2.289 5.330 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.403 5.615 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.100 6.505 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.680 7.318 7.705 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.114 7.986 9.254 1.00 0.00 H new ATOM 376 N PRO A 51 1.983 6.963 5.596 1.00 0.00 N ATOM 377 CA PRO A 51 2.466 7.594 4.367 1.00 0.00 C ATOM 378 C PRO A 51 1.301 8.038 3.483 1.00 0.00 C ATOM 379 O PRO A 51 0.725 7.235 2.748 1.00 0.00 O ATOM 380 CB PRO A 51 3.271 6.489 3.687 1.00 0.00 C ATOM 381 CG PRO A 51 2.651 5.223 4.162 1.00 0.00 C ATOM 382 CD PRO A 51 2.163 5.493 5.560 1.00 0.00 C ATOM 0 HA PRO A 51 3.053 8.492 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.219 6.572 2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.325 6.541 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.827 4.925 3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.375 4.408 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.228 4.971 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.884 5.160 6.306 1.00 0.00 H new ATOM 390 N GLU A 52 0.949 9.321 3.576 1.00 0.00 N ATOM 391 CA GLU A 52 -0.159 9.885 2.798 1.00 0.00 C ATOM 392 C GLU A 52 -0.025 9.581 1.301 1.00 0.00 C ATOM 393 O GLU A 52 -1.001 9.223 0.645 1.00 0.00 O ATOM 394 CB GLU A 52 -0.258 11.401 3.021 1.00 0.00 C ATOM 395 CG GLU A 52 1.070 12.137 2.909 1.00 0.00 C ATOM 396 CD GLU A 52 1.464 12.833 4.197 1.00 0.00 C ATOM 397 OE1 GLU A 52 1.092 14.012 4.375 1.00 0.00 O ATOM 398 OE2 GLU A 52 2.150 12.198 5.025 1.00 0.00 O ATOM 0 H GLU A 52 1.416 9.993 4.185 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.074 9.410 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.954 11.819 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.680 11.585 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.851 11.429 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.006 12.873 2.108 1.00 0.00 H new ATOM 405 N LEU A 53 1.187 9.725 0.770 1.00 0.00 N ATOM 406 CA LEU A 53 1.440 9.458 -0.642 1.00 0.00 C ATOM 407 C LEU A 53 2.705 8.621 -0.815 1.00 0.00 C ATOM 408 O LEU A 53 3.795 9.053 -0.445 1.00 0.00 O ATOM 409 CB LEU A 53 1.576 10.763 -1.437 1.00 0.00 C ATOM 410 CG LEU A 53 1.298 12.056 -0.666 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.140 13.194 -1.218 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.181 12.415 -0.740 1.00 0.00 C ATOM 0 H LEU A 53 2.008 10.025 1.296 1.00 0.00 H new ATOM 0 HA LEU A 53 0.586 8.901 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.588 10.815 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.896 10.718 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 53 1.566 11.896 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.930 14.106 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.197 12.944 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.898 13.349 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.360 13.337 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.470 12.556 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.773 11.610 -0.305 1.00 0.00 H new ATOM 424 N ILE A 54 2.561 7.425 -1.381 1.00 0.00 N ATOM 425 CA ILE A 54 3.710 6.547 -1.602 1.00 0.00 C ATOM 426 C ILE A 54 4.234 6.682 -3.033 1.00 0.00 C ATOM 427 O ILE A 54 3.479 6.573 -4.001 1.00 0.00 O ATOM 428 CB ILE A 54 3.388 5.063 -1.305 1.00 0.00 C ATOM 429 CG1 ILE A 54 2.074 4.632 -1.958 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.339 4.820 0.196 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.711 3.186 -1.691 1.00 0.00 C ATOM 0 H ILE A 54 1.668 7.043 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 54 4.481 6.867 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 54 4.187 4.458 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.270 5.273 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.145 4.788 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.111 3.771 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.305 5.068 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.566 5.446 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.768 2.950 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.496 2.536 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.608 3.029 -0.617 1.00 0.00 H new ATOM 443 N VAL A 55 5.529 6.937 -3.156 1.00 0.00 N ATOM 444 CA VAL A 55 6.159 7.098 -4.465 1.00 0.00 C ATOM 445 C VAL A 55 6.792 5.792 -4.950 1.00 0.00 C ATOM 446 O VAL A 55 7.607 5.182 -4.253 1.00 0.00 O ATOM 447 CB VAL A 55 7.234 8.207 -4.432 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.955 8.320 -5.767 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.612 9.541 -4.045 1.00 0.00 C ATOM 0 H VAL A 55 6.167 7.037 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 55 5.371 7.383 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 55 7.972 7.934 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.705 9.109 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.442 7.373 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.235 8.559 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.384 10.311 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.847 9.811 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.159 9.458 -3.057 1.00 0.00 H new ATOM 459 N LEU A 56 6.409 5.370 -6.155 1.00 0.00 N ATOM 460 CA LEU A 56 6.928 4.138 -6.749 1.00 0.00 C ATOM 461 C LEU A 56 7.342 4.356 -8.207 1.00 0.00 C ATOM 462 O LEU A 56 7.021 5.381 -8.812 1.00 0.00 O ATOM 463 CB LEU A 56 5.870 3.030 -6.678 1.00 0.00 C ATOM 464 CG LEU A 56 5.499 2.570 -5.268 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.133 1.908 -5.267 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.549 1.616 -4.725 1.00 0.00 C ATOM 0 H LEU A 56 5.738 5.866 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 56 7.809 3.840 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.967 3.380 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.231 2.169 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 56 5.460 3.446 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.885 1.587 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.384 2.619 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.148 1.042 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.268 1.299 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.619 0.743 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.515 2.120 -4.690 1.00 0.00 H new ATOM 478 N LYS A 57 8.057 3.386 -8.770 1.00 0.00 N ATOM 479 CA LYS A 57 8.505 3.472 -10.159 1.00 0.00 C ATOM 480 C LYS A 57 7.545 2.721 -11.084 1.00 0.00 C ATOM 481 O LYS A 57 6.678 1.982 -10.623 1.00 0.00 O ATOM 482 CB LYS A 57 9.922 2.910 -10.297 1.00 0.00 C ATOM 483 CG LYS A 57 10.936 3.933 -10.781 1.00 0.00 C ATOM 484 CD LYS A 57 12.238 3.273 -11.200 1.00 0.00 C ATOM 485 CE LYS A 57 13.385 4.269 -11.216 1.00 0.00 C ATOM 486 NZ LYS A 57 14.600 3.708 -11.872 1.00 0.00 N ATOM 0 H LYS A 57 8.339 2.532 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 57 8.514 4.522 -10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.245 2.519 -9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.905 2.070 -10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.521 4.488 -11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.132 4.655 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.471 2.458 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.122 2.833 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.074 5.172 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.626 4.561 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.359 4.419 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.913 2.860 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.377 3.453 -12.855 1.00 0.00 H new ATOM 500 N LYS A 58 7.707 2.911 -12.389 1.00 0.00 N ATOM 501 CA LYS A 58 6.838 2.255 -13.366 1.00 0.00 C ATOM 502 C LYS A 58 7.486 1.002 -13.956 1.00 0.00 C ATOM 503 O LYS A 58 8.706 0.935 -14.115 1.00 0.00 O ATOM 504 CB LYS A 58 6.472 3.233 -14.486 1.00 0.00 C ATOM 505 CG LYS A 58 5.360 2.728 -15.392 1.00 0.00 C ATOM 506 CD LYS A 58 5.086 3.686 -16.538 1.00 0.00 C ATOM 507 CE LYS A 58 5.802 3.255 -17.808 1.00 0.00 C ATOM 508 NZ LYS A 58 5.998 4.391 -18.752 1.00 0.00 N ATOM 0 H LYS A 58 8.426 3.509 -12.795 1.00 0.00 H new ATOM 0 HA LYS A 58 5.933 1.944 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.167 4.182 -14.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.359 3.432 -15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.633 1.751 -15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.450 2.590 -14.808 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.013 3.736 -16.723 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.409 4.689 -16.260 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.771 2.827 -17.550 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.227 2.470 -18.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.490 4.053 -19.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.073 4.784 -19.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.569 5.129 -18.293 1.00 0.00 H new ATOM 522 N SER A 59 6.644 0.006 -14.266 1.00 0.00 N ATOM 523 CA SER A 59 7.082 -1.271 -14.850 1.00 0.00 C ATOM 524 C SER A 59 7.945 -2.078 -13.876 1.00 0.00 C ATOM 525 O SER A 59 8.680 -2.981 -14.281 1.00 0.00 O ATOM 526 CB SER A 59 7.838 -1.041 -16.166 1.00 0.00 C ATOM 527 OG SER A 59 8.209 -2.271 -16.765 1.00 0.00 O ATOM 0 H SER A 59 5.636 0.063 -14.118 1.00 0.00 H new ATOM 0 HA SER A 59 6.184 -1.852 -15.058 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.212 -0.473 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.729 -0.442 -15.977 1.00 0.00 H new ATOM 0 HG SER A 59 8.507 -2.896 -16.071 1.00 0.00 H new ATOM 533 N VAL A 60 7.843 -1.757 -12.591 1.00 0.00 N ATOM 534 CA VAL A 60 8.612 -2.452 -11.566 1.00 0.00 C ATOM 535 C VAL A 60 7.688 -3.049 -10.495 1.00 0.00 C ATOM 536 O VAL A 60 6.731 -2.405 -10.063 1.00 0.00 O ATOM 537 CB VAL A 60 9.651 -1.498 -10.913 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.988 -0.527 -9.951 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.748 -2.280 -10.206 1.00 0.00 C ATOM 0 H VAL A 60 7.235 -1.020 -12.235 1.00 0.00 H new ATOM 0 HA VAL A 60 9.149 -3.269 -12.049 1.00 0.00 H new ATOM 0 HB VAL A 60 10.106 -0.919 -11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.744 0.125 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.257 0.076 -10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.487 -1.084 -9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.460 -1.586 -9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.307 -2.900 -9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.264 -2.915 -10.926 1.00 0.00 H new ATOM 549 N PRO A 61 7.929 -4.309 -10.089 1.00 0.00 N ATOM 550 CA PRO A 61 7.121 -4.961 -9.052 1.00 0.00 C ATOM 551 C PRO A 61 7.264 -4.261 -7.700 1.00 0.00 C ATOM 552 O PRO A 61 8.369 -4.106 -7.180 1.00 0.00 O ATOM 553 CB PRO A 61 7.684 -6.386 -8.988 1.00 0.00 C ATOM 554 CG PRO A 61 9.044 -6.298 -9.595 1.00 0.00 C ATOM 555 CD PRO A 61 8.975 -5.199 -10.617 1.00 0.00 C ATOM 0 HA PRO A 61 6.056 -4.932 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.734 -6.743 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.052 -7.084 -9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.795 -6.078 -8.837 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.326 -7.244 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.930 -4.682 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.716 -5.583 -11.604 1.00 0.00 H new ATOM 563 N ALA A 62 6.148 -3.819 -7.140 1.00 0.00 N ATOM 564 CA ALA A 62 6.168 -3.130 -5.856 1.00 0.00 C ATOM 565 C ALA A 62 5.257 -3.809 -4.840 1.00 0.00 C ATOM 566 O ALA A 62 4.151 -4.237 -5.172 1.00 0.00 O ATOM 567 CB ALA A 62 5.770 -1.675 -6.044 1.00 0.00 C ATOM 0 H ALA A 62 5.220 -3.924 -7.551 1.00 0.00 H new ATOM 0 HA ALA A 62 7.184 -3.175 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.787 -1.166 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.472 -1.191 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.765 -1.624 -6.464 1.00 0.00 H new ATOM 573 N ARG A 63 5.722 -3.908 -3.601 1.00 0.00 N ATOM 574 CA ARG A 63 4.936 -4.537 -2.549 1.00 0.00 C ATOM 575 C ARG A 63 4.673 -3.571 -1.392 1.00 0.00 C ATOM 576 O ARG A 63 5.592 -2.970 -0.826 1.00 0.00 O ATOM 577 CB ARG A 63 5.615 -5.828 -2.064 1.00 0.00 C ATOM 578 CG ARG A 63 6.869 -5.621 -1.236 1.00 0.00 C ATOM 579 CD ARG A 63 7.814 -6.807 -1.357 1.00 0.00 C ATOM 580 NE ARG A 63 8.350 -7.215 -0.060 1.00 0.00 N ATOM 581 CZ ARG A 63 8.088 -8.376 0.521 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.306 -9.258 -0.055 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.613 -8.656 1.690 1.00 0.00 N ATOM 0 H ARG A 63 6.634 -3.563 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 63 3.966 -4.805 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.898 -6.398 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.868 -6.436 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.377 -4.714 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.597 -5.475 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.287 -7.646 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.636 -6.549 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 63 8.965 -6.564 0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.890 -9.054 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.114 -10.148 0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.222 -7.980 2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.412 -9.550 2.138 1.00 0.00 H new ATOM 597 N ILE A 64 3.398 -3.409 -1.068 1.00 0.00 N ATOM 598 CA ILE A 64 2.984 -2.522 0.017 1.00 0.00 C ATOM 599 C ILE A 64 2.745 -3.316 1.301 1.00 0.00 C ATOM 600 O ILE A 64 1.842 -4.149 1.364 1.00 0.00 O ATOM 601 CB ILE A 64 1.701 -1.741 -0.349 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.712 -1.327 -1.827 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.547 -0.521 0.548 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.757 -0.282 -2.168 1.00 0.00 C ATOM 0 H ILE A 64 2.628 -3.881 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 64 3.792 -1.808 0.177 1.00 0.00 H new ATOM 0 HB ILE A 64 0.846 -2.398 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.884 -2.212 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.728 -0.942 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.639 0.018 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.483 -0.840 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.409 0.134 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.700 -0.044 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.574 0.620 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.749 -0.670 -1.936 1.00 0.00 H new ATOM 616 N VAL A 65 3.558 -3.056 2.320 1.00 0.00 N ATOM 617 CA VAL A 65 3.442 -3.761 3.597 1.00 0.00 C ATOM 618 C VAL A 65 2.531 -3.010 4.567 1.00 0.00 C ATOM 619 O VAL A 65 2.893 -1.950 5.075 1.00 0.00 O ATOM 620 CB VAL A 65 4.823 -3.960 4.260 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.749 -5.024 5.345 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.876 -4.326 3.223 1.00 0.00 C ATOM 0 H VAL A 65 4.305 -2.362 2.289 1.00 0.00 H new ATOM 0 HA VAL A 65 3.007 -4.736 3.376 1.00 0.00 H new ATOM 0 HB VAL A 65 5.115 -3.017 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.732 -5.149 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.033 -4.717 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.429 -5.969 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.839 -4.461 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.590 -5.253 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.954 -3.527 2.486 1.00 0.00 H new ATOM 632 N PHE A 66 1.355 -3.567 4.830 1.00 0.00 N ATOM 633 CA PHE A 66 0.399 -2.945 5.743 1.00 0.00 C ATOM 634 C PHE A 66 0.526 -3.518 7.155 1.00 0.00 C ATOM 635 O PHE A 66 0.210 -4.685 7.398 1.00 0.00 O ATOM 636 CB PHE A 66 -1.028 -3.128 5.222 1.00 0.00 C ATOM 637 CG PHE A 66 -1.329 -2.293 4.010 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.469 -0.920 4.118 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.463 -2.882 2.762 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.737 -0.148 3.004 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.729 -2.114 1.645 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.867 -0.745 1.766 1.00 0.00 C ATOM 0 H PHE A 66 1.039 -4.448 4.425 1.00 0.00 H new ATOM 0 HA PHE A 66 0.625 -1.880 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.187 -4.179 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.732 -2.874 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.368 -0.447 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.358 -3.952 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.845 0.922 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.829 -2.584 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.076 -0.143 0.894 1.00 0.00 H new ATOM 652 N ASP A 67 0.995 -2.687 8.080 1.00 0.00 N ATOM 653 CA ASP A 67 1.167 -3.093 9.474 1.00 0.00 C ATOM 654 C ASP A 67 -0.023 -2.631 10.318 1.00 0.00 C ATOM 655 O ASP A 67 -0.148 -1.447 10.627 1.00 0.00 O ATOM 656 CB ASP A 67 2.473 -2.509 10.028 1.00 0.00 C ATOM 657 CG ASP A 67 2.700 -2.842 11.493 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.918 -4.032 11.804 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.659 -1.914 12.326 1.00 0.00 O ATOM 0 H ASP A 67 1.265 -1.722 7.889 1.00 0.00 H new ATOM 0 HA ASP A 67 1.217 -4.181 9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.311 -2.887 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.461 -1.426 9.905 1.00 0.00 H new ATOM 664 N ARG A 68 -0.889 -3.569 10.694 1.00 0.00 N ATOM 665 CA ARG A 68 -2.066 -3.237 11.491 1.00 0.00 C ATOM 666 C ARG A 68 -1.718 -3.035 12.965 1.00 0.00 C ATOM 667 O ARG A 68 -1.471 -3.993 13.702 1.00 0.00 O ATOM 668 CB ARG A 68 -3.139 -4.319 11.356 1.00 0.00 C ATOM 669 CG ARG A 68 -4.463 -3.933 11.998 1.00 0.00 C ATOM 670 CD ARG A 68 -5.548 -3.713 10.959 1.00 0.00 C ATOM 671 NE ARG A 68 -6.299 -4.934 10.688 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.487 -5.206 11.203 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.072 -4.363 12.021 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.088 -6.325 10.892 1.00 0.00 N ATOM 0 H ARG A 68 -0.799 -4.558 10.461 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.456 -2.296 11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.303 -4.529 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.776 -5.240 11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.774 -4.716 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.331 -3.024 12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.230 -2.937 11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.097 -3.352 10.035 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.881 -5.622 10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.611 -3.487 12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.988 -4.584 12.412 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.641 -6.984 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.004 -6.539 11.287 1.00 0.00 H new ATOM 688 N LYS A 69 -1.705 -1.776 13.383 1.00 0.00 N ATOM 689 CA LYS A 69 -1.406 -1.418 14.766 1.00 0.00 C ATOM 690 C LYS A 69 -2.705 -1.162 15.539 1.00 0.00 C ATOM 691 O LYS A 69 -2.826 -1.512 16.713 1.00 0.00 O ATOM 692 CB LYS A 69 -0.499 -0.180 14.796 1.00 0.00 C ATOM 693 CG LYS A 69 -0.366 0.468 16.167 1.00 0.00 C ATOM 694 CD LYS A 69 0.520 -0.354 17.089 1.00 0.00 C ATOM 695 CE LYS A 69 1.855 0.330 17.342 1.00 0.00 C ATOM 696 NZ LYS A 69 1.852 1.103 18.615 1.00 0.00 N ATOM 0 H LYS A 69 -1.900 -0.978 12.779 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.883 -2.244 15.247 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.493 -0.462 14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.889 0.558 14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.050 1.469 16.058 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.353 0.580 16.615 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.008 -0.515 18.038 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.692 -1.336 16.649 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.646 -0.419 17.374 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.083 0.999 16.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.780 1.553 18.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.114 1.835 18.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.660 0.461 19.410 1.00 0.00 H new ATOM 710 N ASP A 70 -3.676 -0.555 14.865 1.00 0.00 N ATOM 711 CA ASP A 70 -4.969 -0.258 15.474 1.00 0.00 C ATOM 712 C ASP A 70 -6.042 -1.243 14.990 1.00 0.00 C ATOM 713 O ASP A 70 -6.209 -1.445 13.788 1.00 0.00 O ATOM 714 CB ASP A 70 -5.385 1.180 15.150 1.00 0.00 C ATOM 715 CG ASP A 70 -6.389 1.736 16.143 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.977 2.096 17.266 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.588 1.809 15.795 1.00 0.00 O ATOM 0 H ASP A 70 -3.592 -0.258 13.893 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.872 -0.365 16.554 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.500 1.816 15.139 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.814 1.213 14.148 1.00 0.00 H new ATOM 722 N PRO A 71 -6.799 -1.848 15.925 1.00 0.00 N ATOM 723 CA PRO A 71 -7.859 -2.813 15.599 1.00 0.00 C ATOM 724 C PRO A 71 -9.164 -2.140 15.166 1.00 0.00 C ATOM 725 O PRO A 71 -10.255 -2.587 15.520 1.00 0.00 O ATOM 726 CB PRO A 71 -8.052 -3.551 16.921 1.00 0.00 C ATOM 727 CG PRO A 71 -7.770 -2.517 17.955 1.00 0.00 C ATOM 728 CD PRO A 71 -6.687 -1.638 17.383 1.00 0.00 C ATOM 0 HA PRO A 71 -7.590 -3.453 14.758 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.064 -3.944 17.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.372 -4.398 17.008 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.665 -1.937 18.180 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.446 -2.977 18.888 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.838 -0.592 17.650 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.702 -1.923 17.754 1.00 0.00 H new ATOM 736 N SER A 72 -9.041 -1.066 14.398 1.00 0.00 N ATOM 737 CA SER A 72 -10.204 -0.321 13.915 1.00 0.00 C ATOM 738 C SER A 72 -10.957 -1.102 12.836 1.00 0.00 C ATOM 739 O SER A 72 -10.347 -1.659 11.924 1.00 0.00 O ATOM 740 CB SER A 72 -9.766 1.034 13.355 1.00 0.00 C ATOM 741 OG SER A 72 -9.825 2.042 14.350 1.00 0.00 O ATOM 0 H SER A 72 -8.145 -0.687 14.093 1.00 0.00 H new ATOM 0 HA SER A 72 -10.875 -0.168 14.760 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.750 0.960 12.969 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.406 1.308 12.517 1.00 0.00 H new ATOM 0 HG SER A 72 -9.022 1.996 14.910 1.00 0.00 H new ATOM 747 N PRO A 73 -12.303 -1.134 12.919 1.00 0.00 N ATOM 748 CA PRO A 73 -13.142 -1.851 11.943 1.00 0.00 C ATOM 749 C PRO A 73 -13.039 -1.262 10.535 1.00 0.00 C ATOM 750 O PRO A 73 -13.146 -1.981 9.542 1.00 0.00 O ATOM 751 CB PRO A 73 -14.562 -1.677 12.492 1.00 0.00 C ATOM 752 CG PRO A 73 -14.491 -0.468 13.360 1.00 0.00 C ATOM 753 CD PRO A 73 -13.112 -0.477 13.959 1.00 0.00 C ATOM 0 HA PRO A 73 -12.836 -2.892 11.837 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.284 -1.543 11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.877 -2.553 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.660 0.440 12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.255 -0.498 14.137 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.757 0.532 14.169 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.084 -1.027 14.900 1.00 0.00 H new ATOM 761 N CYS A 74 -12.812 0.048 10.458 1.00 0.00 N ATOM 762 CA CYS A 74 -12.687 0.738 9.174 1.00 0.00 C ATOM 763 C CYS A 74 -11.322 0.486 8.530 1.00 0.00 C ATOM 764 O CYS A 74 -11.069 0.913 7.404 1.00 0.00 O ATOM 765 CB CYS A 74 -12.897 2.241 9.362 1.00 0.00 C ATOM 766 SG CYS A 74 -11.976 2.948 10.747 1.00 0.00 S ATOM 0 H CYS A 74 -12.711 0.655 11.272 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.454 0.341 8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.606 2.755 8.446 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.960 2.433 9.511 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.718 3.821 11.361 1.00 0.00 H new ATOM 772 N LEU A 75 -10.444 -0.203 9.256 1.00 0.00 N ATOM 773 CA LEU A 75 -9.109 -0.519 8.757 1.00 0.00 C ATOM 774 C LEU A 75 -8.889 -2.033 8.702 1.00 0.00 C ATOM 775 O LEU A 75 -7.759 -2.502 8.585 1.00 0.00 O ATOM 776 CB LEU A 75 -8.048 0.127 9.652 1.00 0.00 C ATOM 777 CG LEU A 75 -7.788 1.612 9.393 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.930 2.192 10.504 1.00 0.00 C ATOM 779 CD2 LEU A 75 -7.120 1.814 8.042 1.00 0.00 C ATOM 0 H LEU A 75 -10.635 -0.554 10.195 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.021 -0.121 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.350 0.004 10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.111 -0.416 9.526 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.744 2.135 9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.750 3.250 10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.445 2.080 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.978 1.663 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.944 2.877 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.169 1.282 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.767 1.428 7.255 1.00 0.00 H new ATOM 791 N ASP A 76 -9.985 -2.788 8.779 1.00 0.00 N ATOM 792 CA ASP A 76 -9.930 -4.251 8.754 1.00 0.00 C ATOM 793 C ASP A 76 -9.479 -4.792 7.391 1.00 0.00 C ATOM 794 O ASP A 76 -8.785 -5.807 7.316 1.00 0.00 O ATOM 795 CB ASP A 76 -11.306 -4.822 9.113 1.00 0.00 C ATOM 796 CG ASP A 76 -11.260 -6.299 9.456 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.866 -6.634 10.595 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.630 -7.120 8.587 1.00 0.00 O ATOM 0 H ASP A 76 -10.928 -2.408 8.860 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.190 -4.567 9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.713 -4.270 9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.987 -4.669 8.276 1.00 0.00 H new ATOM 803 N GLN A 77 -9.883 -4.122 6.318 1.00 0.00 N ATOM 804 CA GLN A 77 -9.520 -4.556 4.970 1.00 0.00 C ATOM 805 C GLN A 77 -9.030 -3.386 4.115 1.00 0.00 C ATOM 806 O GLN A 77 -9.212 -2.222 4.472 1.00 0.00 O ATOM 807 CB GLN A 77 -10.715 -5.230 4.290 1.00 0.00 C ATOM 808 CG GLN A 77 -11.134 -6.541 4.942 1.00 0.00 C ATOM 809 CD GLN A 77 -12.640 -6.717 4.986 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.325 -6.553 3.981 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.164 -7.058 6.153 1.00 0.00 N ATOM 0 H GLN A 77 -10.459 -3.281 6.352 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.704 -5.272 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.561 -4.543 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.468 -5.417 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.691 -7.373 4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.738 -6.581 5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.561 -7.185 6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.171 -7.194 6.240 1.00 0.00 H new ATOM 820 N ILE A 78 -8.408 -3.707 2.985 1.00 0.00 N ATOM 821 CA ILE A 78 -7.892 -2.689 2.073 1.00 0.00 C ATOM 822 C ILE A 78 -8.188 -3.054 0.613 1.00 0.00 C ATOM 823 O ILE A 78 -8.151 -4.227 0.233 1.00 0.00 O ATOM 824 CB ILE A 78 -6.366 -2.485 2.263 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.847 -1.375 1.346 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.605 -3.781 2.011 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.335 -0.166 2.092 1.00 0.00 C ATOM 0 H ILE A 78 -8.248 -4.666 2.677 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.401 -1.755 2.312 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.197 -2.186 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.046 -1.774 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.648 -1.065 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.538 -3.609 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.945 -4.544 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.787 -4.118 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.983 0.580 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.139 0.258 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.512 -0.462 2.743 1.00 0.00 H new ATOM 839 N VAL A 79 -8.528 -2.054 -0.194 1.00 0.00 N ATOM 840 CA VAL A 79 -8.811 -2.285 -1.607 1.00 0.00 C ATOM 841 C VAL A 79 -8.232 -1.170 -2.481 1.00 0.00 C ATOM 842 O VAL A 79 -8.350 0.016 -2.169 1.00 0.00 O ATOM 843 CB VAL A 79 -10.333 -2.469 -1.889 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.181 -1.892 -0.771 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.746 -1.872 -3.231 1.00 0.00 C ATOM 0 H VAL A 79 -8.614 -1.082 0.103 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.319 -3.221 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.510 -3.543 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.236 -2.038 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.941 -2.396 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.976 -0.826 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.814 -2.024 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.527 -0.804 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.192 -2.360 -4.032 1.00 0.00 H new ATOM 855 N PHE A 80 -7.580 -1.578 -3.561 1.00 0.00 N ATOM 856 CA PHE A 80 -6.984 -0.653 -4.516 1.00 0.00 C ATOM 857 C PHE A 80 -7.930 -0.451 -5.704 1.00 0.00 C ATOM 858 O PHE A 80 -7.996 -1.296 -6.597 1.00 0.00 O ATOM 859 CB PHE A 80 -5.641 -1.207 -5.007 1.00 0.00 C ATOM 860 CG PHE A 80 -4.476 -0.887 -4.112 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.316 -1.540 -2.900 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.539 0.062 -4.486 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.240 -1.254 -2.079 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.462 0.355 -3.669 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.314 -0.304 -2.464 1.00 0.00 C ATOM 0 H PHE A 80 -7.449 -2.561 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.817 0.307 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.722 -2.290 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.440 -0.810 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.040 -2.281 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.651 0.580 -5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.124 -1.773 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.739 1.097 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.475 -0.077 -1.823 1.00 0.00 H new ATOM 875 N PRO A 81 -8.664 0.678 -5.741 1.00 0.00 N ATOM 876 CA PRO A 81 -9.626 0.965 -6.820 1.00 0.00 C ATOM 877 C PRO A 81 -8.963 1.204 -8.179 1.00 0.00 C ATOM 878 O PRO A 81 -9.633 1.203 -9.210 1.00 0.00 O ATOM 879 CB PRO A 81 -10.334 2.235 -6.339 1.00 0.00 C ATOM 880 CG PRO A 81 -9.377 2.879 -5.399 1.00 0.00 C ATOM 881 CD PRO A 81 -8.617 1.762 -4.742 1.00 0.00 C ATOM 0 HA PRO A 81 -10.293 0.120 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.571 2.895 -7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.275 1.998 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.701 3.549 -5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.904 3.480 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.592 2.054 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.079 1.461 -3.802 1.00 0.00 H new ATOM 889 N ASP A 82 -7.651 1.407 -8.177 1.00 0.00 N ATOM 890 CA ASP A 82 -6.914 1.646 -9.414 1.00 0.00 C ATOM 891 C ASP A 82 -6.189 0.384 -9.903 1.00 0.00 C ATOM 892 O ASP A 82 -5.661 0.361 -11.014 1.00 0.00 O ATOM 893 CB ASP A 82 -5.909 2.783 -9.207 1.00 0.00 C ATOM 894 CG ASP A 82 -6.583 4.138 -9.117 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.225 4.549 -10.103 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.464 4.788 -8.055 1.00 0.00 O ATOM 0 H ASP A 82 -7.076 1.411 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.635 1.927 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.341 2.601 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.196 2.789 -10.031 1.00 0.00 H new ATOM 901 N PHE A 83 -6.166 -0.662 -9.075 1.00 0.00 N ATOM 902 CA PHE A 83 -5.487 -1.909 -9.443 1.00 0.00 C ATOM 903 C PHE A 83 -6.429 -3.119 -9.394 1.00 0.00 C ATOM 904 O PHE A 83 -6.151 -4.152 -10.002 1.00 0.00 O ATOM 905 CB PHE A 83 -4.283 -2.141 -8.523 1.00 0.00 C ATOM 906 CG PHE A 83 -3.130 -1.227 -8.821 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.145 0.087 -8.382 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.037 -1.673 -9.548 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.098 0.938 -8.664 1.00 0.00 C ATOM 910 CE2 PHE A 83 -0.983 -0.825 -9.830 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.015 0.482 -9.388 1.00 0.00 C ATOM 0 H PHE A 83 -6.604 -0.673 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.147 -1.804 -10.473 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.592 -2.000 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.953 -3.175 -8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.988 0.449 -7.812 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.009 -2.694 -9.898 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.125 1.961 -8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.136 -1.184 -10.395 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.193 1.147 -9.608 1.00 0.00 H new ATOM 921 N GLY A 84 -7.539 -2.988 -8.669 1.00 0.00 N ATOM 922 CA GLY A 84 -8.490 -4.084 -8.555 1.00 0.00 C ATOM 923 C GLY A 84 -8.047 -5.126 -7.543 1.00 0.00 C ATOM 924 O GLY A 84 -8.384 -6.305 -7.656 1.00 0.00 O ATOM 0 H GLY A 84 -7.797 -2.143 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.464 -3.689 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.615 -4.557 -9.529 1.00 0.00 H new ATOM 928 N VAL A 85 -7.295 -4.680 -6.542 1.00 0.00 N ATOM 929 CA VAL A 85 -6.778 -5.568 -5.505 1.00 0.00 C ATOM 930 C VAL A 85 -7.449 -5.305 -4.154 1.00 0.00 C ATOM 931 O VAL A 85 -7.325 -4.220 -3.592 1.00 0.00 O ATOM 932 CB VAL A 85 -5.248 -5.398 -5.364 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.723 -6.108 -4.125 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.536 -5.902 -6.611 1.00 0.00 C ATOM 0 H VAL A 85 -7.028 -3.702 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.005 -6.590 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.041 -4.334 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.644 -5.969 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.200 -5.692 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.948 -7.172 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.460 -5.774 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.762 -6.958 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.876 -5.335 -7.478 1.00 0.00 H new ATOM 944 N HIS A 86 -8.163 -6.302 -3.641 1.00 0.00 N ATOM 945 CA HIS A 86 -8.844 -6.176 -2.350 1.00 0.00 C ATOM 946 C HIS A 86 -8.458 -7.333 -1.427 1.00 0.00 C ATOM 947 O HIS A 86 -8.731 -8.496 -1.724 1.00 0.00 O ATOM 948 CB HIS A 86 -10.364 -6.121 -2.556 1.00 0.00 C ATOM 949 CG HIS A 86 -11.166 -5.964 -1.296 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.694 -5.322 -0.167 1.00 0.00 N ATOM 951 CD2 HIS A 86 -12.424 -6.365 -0.998 1.00 0.00 C ATOM 952 CE1 HIS A 86 -11.630 -5.336 0.766 1.00 0.00 C ATOM 953 NE2 HIS A 86 -12.686 -5.962 0.287 1.00 0.00 N ATOM 0 H HIS A 86 -8.287 -7.206 -4.096 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.529 -5.247 -1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.596 -5.291 -3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.681 -7.034 -3.060 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.769 -4.903 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.096 -6.902 -1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.544 -4.907 1.753 1.00 0.00 H new ATOM 961 N ALA A 87 -7.827 -7.002 -0.303 1.00 0.00 N ATOM 962 CA ALA A 87 -7.391 -8.011 0.660 1.00 0.00 C ATOM 963 C ALA A 87 -7.748 -7.620 2.096 1.00 0.00 C ATOM 964 O ALA A 87 -8.175 -6.494 2.362 1.00 0.00 O ATOM 965 CB ALA A 87 -5.891 -8.235 0.536 1.00 0.00 C ATOM 0 H ALA A 87 -7.606 -6.043 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.918 -8.937 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.575 -8.988 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.656 -8.577 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.366 -7.300 0.734 1.00 0.00 H new ATOM 971 N ASN A 88 -7.568 -8.563 3.018 1.00 0.00 N ATOM 972 CA ASN A 88 -7.859 -8.331 4.432 1.00 0.00 C ATOM 973 C ASN A 88 -6.562 -8.185 5.228 1.00 0.00 C ATOM 974 O ASN A 88 -5.560 -8.830 4.920 1.00 0.00 O ATOM 975 CB ASN A 88 -8.696 -9.481 5.012 1.00 0.00 C ATOM 976 CG ASN A 88 -9.417 -10.289 3.947 1.00 0.00 C ATOM 977 OD1 ASN A 88 -8.825 -11.136 3.285 1.00 0.00 O ATOM 978 ND2 ASN A 88 -10.703 -10.033 3.778 1.00 0.00 N ATOM 0 H ASN A 88 -7.220 -9.499 2.810 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.431 -7.407 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.046 -10.143 5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.429 -9.074 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.238 -10.547 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.160 -9.321 4.348 1.00 0.00 H new ATOM 985 N LEU A 89 -6.582 -7.339 6.253 1.00 0.00 N ATOM 986 CA LEU A 89 -5.396 -7.122 7.077 1.00 0.00 C ATOM 987 C LEU A 89 -5.528 -7.809 8.438 1.00 0.00 C ATOM 988 O LEU A 89 -6.537 -7.656 9.128 1.00 0.00 O ATOM 989 CB LEU A 89 -5.141 -5.622 7.271 1.00 0.00 C ATOM 990 CG LEU A 89 -5.133 -4.785 5.988 1.00 0.00 C ATOM 991 CD1 LEU A 89 -5.050 -3.303 6.319 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.976 -5.197 5.089 1.00 0.00 C ATOM 0 H LEU A 89 -7.399 -6.796 6.532 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.548 -7.563 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.905 -5.224 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.182 -5.496 7.773 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.065 -4.966 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.045 -2.724 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.911 -3.016 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.134 -3.105 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.986 -4.592 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.034 -5.045 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.078 -6.249 4.824 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.512 -8.596 8.831 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.505 -9.298 10.116 1.00 0.00 C ATOM 1006 C PRO A 90 -4.059 -8.398 11.273 1.00 0.00 C ATOM 1007 O PRO A 90 -3.019 -7.744 11.202 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.500 -10.425 9.881 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.547 -9.893 8.861 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.299 -8.874 8.041 1.00 0.00 C ATOM 0 HA PRO A 90 -5.497 -9.644 10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.983 -10.690 10.803 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.996 -11.327 9.524 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.682 -9.437 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.172 -10.697 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.708 -7.971 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.548 -9.263 7.053 1.00 0.00 H new ATOM 1018 N MET A 91 -4.852 -8.375 12.340 1.00 0.00 N ATOM 1019 CA MET A 91 -4.546 -7.551 13.508 1.00 0.00 C ATOM 1020 C MET A 91 -3.291 -8.043 14.235 1.00 0.00 C ATOM 1021 O MET A 91 -3.192 -9.210 14.616 1.00 0.00 O ATOM 1022 CB MET A 91 -5.739 -7.532 14.470 1.00 0.00 C ATOM 1023 CG MET A 91 -5.483 -6.746 15.747 1.00 0.00 C ATOM 1024 SD MET A 91 -4.948 -5.052 15.430 1.00 0.00 S ATOM 1025 CE MET A 91 -3.971 -4.731 16.895 1.00 0.00 C ATOM 0 H MET A 91 -5.712 -8.917 12.421 1.00 0.00 H new ATOM 0 HA MET A 91 -4.351 -6.538 13.156 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.601 -7.105 13.957 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.000 -8.558 14.731 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.393 -6.729 16.346 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.723 -7.258 16.337 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.099 -3.692 17.197 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.299 -5.387 17.702 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.919 -4.919 16.679 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.332 -7.136 14.418 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.090 -7.480 15.094 1.00 0.00 C ATOM 1037 C GLY A 92 -0.057 -8.096 14.165 1.00 0.00 C ATOM 1038 O GLY A 92 1.000 -8.541 14.612 1.00 0.00 O ATOM 0 H GLY A 92 -2.394 -6.166 14.109 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.671 -6.583 15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.305 -8.178 15.903 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.358 -8.118 12.869 1.00 0.00 N ATOM 1043 CA GLU A 93 0.547 -8.692 11.876 1.00 0.00 C ATOM 1044 C GLU A 93 0.684 -7.772 10.662 1.00 0.00 C ATOM 1045 O GLU A 93 0.036 -6.725 10.582 1.00 0.00 O ATOM 1046 CB GLU A 93 0.049 -10.072 11.438 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.009 -11.092 12.565 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.500 -12.450 12.102 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.726 -12.684 12.137 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.343 -13.282 11.703 1.00 0.00 O ATOM 0 H GLU A 93 -1.224 -7.744 12.481 1.00 0.00 H new ATOM 0 HA GLU A 93 1.529 -8.799 12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.945 -9.968 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.702 -10.451 10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.983 -11.199 13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.667 -10.721 13.351 1.00 0.00 H new ATOM 1057 N GLU A 94 1.537 -8.162 9.718 1.00 0.00 N ATOM 1058 CA GLU A 94 1.759 -7.367 8.512 1.00 0.00 C ATOM 1059 C GLU A 94 1.294 -8.102 7.255 1.00 0.00 C ATOM 1060 O GLU A 94 1.606 -9.276 7.055 1.00 0.00 O ATOM 1061 CB GLU A 94 3.241 -7.013 8.373 1.00 0.00 C ATOM 1062 CG GLU A 94 3.756 -6.079 9.456 1.00 0.00 C ATOM 1063 CD GLU A 94 4.930 -6.657 10.221 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.773 -7.740 10.823 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.012 -6.027 10.213 1.00 0.00 O ATOM 0 H GLU A 94 2.085 -9.021 9.764 1.00 0.00 H new ATOM 0 HA GLU A 94 1.170 -6.455 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.827 -7.932 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.404 -6.550 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.054 -5.134 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.948 -5.858 10.153 1.00 0.00 H new ATOM 1072 N TYR A 95 0.547 -7.400 6.412 1.00 0.00 N ATOM 1073 CA TYR A 95 0.056 -7.967 5.158 1.00 0.00 C ATOM 1074 C TYR A 95 0.650 -7.209 3.976 1.00 0.00 C ATOM 1075 O TYR A 95 0.513 -5.992 3.878 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.475 -7.919 5.101 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.077 -8.976 4.203 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.272 -10.273 4.659 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.445 -8.677 2.897 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.819 -11.243 3.840 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.992 -9.641 2.072 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.177 -10.921 2.548 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.720 -11.884 1.729 1.00 0.00 O ATOM 0 H TYR A 95 0.266 -6.433 6.573 1.00 0.00 H new ATOM 0 HA TYR A 95 0.367 -9.010 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.872 -8.040 6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.787 -6.935 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.992 -10.528 5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.301 -7.675 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.965 -12.247 4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.273 -9.393 1.059 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.918 -11.494 0.852 1.00 0.00 H new ATOM 1093 N VAL A 96 1.314 -7.930 3.080 1.00 0.00 N ATOM 1094 CA VAL A 96 1.941 -7.296 1.926 1.00 0.00 C ATOM 1095 C VAL A 96 1.113 -7.459 0.644 1.00 0.00 C ATOM 1096 O VAL A 96 0.552 -8.521 0.367 1.00 0.00 O ATOM 1097 CB VAL A 96 3.385 -7.824 1.714 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.410 -9.127 0.924 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.241 -6.770 1.031 1.00 0.00 C ATOM 0 H VAL A 96 1.432 -8.942 3.128 1.00 0.00 H new ATOM 0 HA VAL A 96 1.988 -6.229 2.145 1.00 0.00 H new ATOM 0 HB VAL A 96 3.801 -8.036 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.441 -9.458 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.846 -9.889 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.961 -8.967 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.250 -7.156 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.809 -6.522 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.279 -5.874 1.651 1.00 0.00 H new ATOM 1109 N VAL A 97 1.015 -6.370 -0.116 1.00 0.00 N ATOM 1110 CA VAL A 97 0.284 -6.366 -1.380 1.00 0.00 C ATOM 1111 C VAL A 97 1.248 -6.146 -2.545 1.00 0.00 C ATOM 1112 O VAL A 97 1.806 -5.060 -2.705 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.813 -5.274 -1.401 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.420 -5.124 -2.791 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.896 -5.592 -0.381 1.00 0.00 C ATOM 0 H VAL A 97 1.436 -5.473 0.125 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.201 -7.337 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.346 -4.325 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.187 -4.350 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.641 -4.845 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.867 -6.070 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.660 -4.815 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.349 -6.555 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.456 -5.634 0.615 1.00 0.00 H new ATOM 1125 N GLU A 98 1.450 -7.186 -3.345 1.00 0.00 N ATOM 1126 CA GLU A 98 2.358 -7.108 -4.488 1.00 0.00 C ATOM 1127 C GLU A 98 1.614 -6.715 -5.765 1.00 0.00 C ATOM 1128 O GLU A 98 0.716 -7.424 -6.218 1.00 0.00 O ATOM 1129 CB GLU A 98 3.076 -8.445 -4.684 1.00 0.00 C ATOM 1130 CG GLU A 98 4.420 -8.514 -3.975 1.00 0.00 C ATOM 1131 CD GLU A 98 4.767 -9.909 -3.490 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.332 -10.891 -4.130 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.479 -10.018 -2.466 1.00 0.00 O ATOM 0 H GLU A 98 0.999 -8.093 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 98 3.096 -6.334 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.438 -9.250 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.226 -8.617 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.200 -8.167 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.411 -7.832 -3.125 1.00 0.00 H new ATOM 1140 N ILE A 99 2.000 -5.579 -6.339 1.00 0.00 N ATOM 1141 CA ILE A 99 1.376 -5.078 -7.564 1.00 0.00 C ATOM 1142 C ILE A 99 2.423 -4.577 -8.557 1.00 0.00 C ATOM 1143 O ILE A 99 3.526 -4.183 -8.171 1.00 0.00 O ATOM 1144 CB ILE A 99 0.374 -3.937 -7.272 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.740 -3.210 -5.973 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.045 -4.484 -7.198 1.00 0.00 C ATOM 1147 CD1 ILE A 99 0.022 -1.890 -5.792 1.00 0.00 C ATOM 0 H ILE A 99 2.745 -4.985 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 99 0.837 -5.919 -8.001 1.00 0.00 H new ATOM 0 HB ILE A 99 0.426 -3.217 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.510 -3.858 -5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.816 -3.034 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.739 -3.669 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.305 -4.950 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.108 -5.225 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.331 -1.434 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.272 -1.224 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.054 -2.061 -5.776 1.00 0.00 H new ATOM 1159 N THR A 100 2.074 -4.595 -9.839 1.00 0.00 N ATOM 1160 CA THR A 100 2.986 -4.141 -10.888 1.00 0.00 C ATOM 1161 C THR A 100 2.399 -2.959 -11.660 1.00 0.00 C ATOM 1162 O THR A 100 1.597 -3.142 -12.579 1.00 0.00 O ATOM 1163 CB THR A 100 3.314 -5.274 -11.880 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.515 -6.507 -11.177 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.558 -4.943 -12.692 1.00 0.00 C ATOM 0 H THR A 100 1.168 -4.918 -10.179 1.00 0.00 H new ATOM 0 HA THR A 100 3.903 -3.826 -10.390 1.00 0.00 H new ATOM 0 HB THR A 100 2.469 -5.379 -12.561 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.721 -7.219 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.768 -5.758 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.392 -4.024 -13.254 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.406 -4.810 -12.020 1.00 0.00 H new ATOM 1173 N PRO A 101 2.794 -1.726 -11.296 1.00 0.00 N ATOM 1174 CA PRO A 101 2.307 -0.506 -11.955 1.00 0.00 C ATOM 1175 C PRO A 101 2.909 -0.306 -13.348 1.00 0.00 C ATOM 1176 O PRO A 101 4.049 0.134 -13.490 1.00 0.00 O ATOM 1177 CB PRO A 101 2.766 0.603 -11.007 1.00 0.00 C ATOM 1178 CG PRO A 101 3.990 0.054 -10.362 1.00 0.00 C ATOM 1179 CD PRO A 101 3.745 -1.421 -10.207 1.00 0.00 C ATOM 0 HA PRO A 101 1.230 -0.533 -12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.981 1.525 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.999 0.838 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.872 0.242 -10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.167 0.525 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.667 -1.994 -10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.326 -1.658 -9.229 1.00 0.00 H new ATOM 1187 N GLU A 102 2.134 -0.624 -14.379 1.00 0.00 N ATOM 1188 CA GLU A 102 2.600 -0.475 -15.757 1.00 0.00 C ATOM 1189 C GLU A 102 2.107 0.835 -16.377 1.00 0.00 C ATOM 1190 O GLU A 102 2.079 0.987 -17.598 1.00 0.00 O ATOM 1191 CB GLU A 102 2.138 -1.665 -16.602 1.00 0.00 C ATOM 1192 CG GLU A 102 2.652 -3.007 -16.097 1.00 0.00 C ATOM 1193 CD GLU A 102 1.548 -4.040 -15.942 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.360 -3.649 -15.938 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.873 -5.241 -15.826 1.00 0.00 O ATOM 0 H GLU A 102 1.184 -0.985 -14.290 1.00 0.00 H new ATOM 0 HA GLU A 102 3.690 -0.448 -15.740 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.048 -1.686 -16.620 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.471 -1.521 -17.630 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.404 -3.387 -16.789 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.146 -2.863 -15.136 1.00 0.00 H new ATOM 1202 N GLN A 103 1.726 1.780 -15.524 1.00 0.00 N ATOM 1203 CA GLN A 103 1.239 3.080 -15.976 1.00 0.00 C ATOM 1204 C GLN A 103 1.630 4.178 -14.989 1.00 0.00 C ATOM 1205 O GLN A 103 1.413 4.049 -13.785 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.282 3.055 -16.144 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.760 3.618 -17.473 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.220 4.026 -17.443 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -3.108 3.216 -17.687 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.477 5.289 -17.141 1.00 0.00 N ATOM 0 H GLN A 103 1.745 1.670 -14.510 1.00 0.00 H new ATOM 0 HA GLN A 103 1.700 3.294 -16.940 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.632 2.027 -16.048 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.737 3.624 -15.334 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.151 4.482 -17.737 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.611 2.872 -18.254 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.710 5.932 -16.944 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.442 5.619 -17.105 1.00 0.00 H new ATOM 1219 N ALA A 104 2.213 5.254 -15.504 1.00 0.00 N ATOM 1220 CA ALA A 104 2.631 6.373 -14.666 1.00 0.00 C ATOM 1221 C ALA A 104 1.485 7.357 -14.444 1.00 0.00 C ATOM 1222 O ALA A 104 0.868 7.835 -15.397 1.00 0.00 O ATOM 1223 CB ALA A 104 3.827 7.081 -15.287 1.00 0.00 C ATOM 0 H ALA A 104 2.407 5.376 -16.498 1.00 0.00 H new ATOM 0 HA ALA A 104 2.923 5.975 -13.694 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.128 7.913 -14.651 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.656 6.380 -15.382 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.555 7.458 -16.273 1.00 0.00 H new ATOM 1229 N GLY A 105 1.202 7.650 -13.181 1.00 0.00 N ATOM 1230 CA GLY A 105 0.130 8.573 -12.855 1.00 0.00 C ATOM 1231 C GLY A 105 -0.164 8.632 -11.366 1.00 0.00 C ATOM 1232 O GLY A 105 0.603 8.118 -10.550 1.00 0.00 O ATOM 0 H GLY A 105 1.696 7.265 -12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.395 9.570 -13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.773 8.276 -13.388 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.281 9.264 -11.018 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.690 9.393 -9.624 1.00 0.00 C ATOM 1238 C GLU A 106 -2.754 8.354 -9.273 1.00 0.00 C ATOM 1239 O GLU A 106 -3.882 8.408 -9.762 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.225 10.802 -9.353 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.238 11.695 -8.613 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.611 13.164 -8.690 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.488 13.752 -9.784 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.026 13.726 -7.651 1.00 0.00 O ATOM 0 H GLU A 106 -1.921 9.696 -11.685 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.816 9.220 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.487 11.271 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.143 10.728 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.191 11.390 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.241 11.554 -9.032 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.378 7.409 -8.424 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.276 6.341 -7.999 1.00 0.00 C ATOM 1253 C PHE A 107 -3.646 6.514 -6.522 1.00 0.00 C ATOM 1254 O PHE A 107 -3.094 7.375 -5.839 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.607 4.981 -8.237 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.337 4.686 -9.690 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -3.234 5.071 -10.677 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -1.183 4.020 -10.068 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -2.983 4.797 -12.008 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -0.928 3.741 -11.398 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.829 4.131 -12.369 1.00 0.00 C ATOM 0 H PHE A 107 -1.447 7.359 -8.011 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.194 6.388 -8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.666 4.947 -7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.243 4.196 -7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.139 5.591 -10.401 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.473 3.715 -9.314 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.689 5.104 -12.765 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.025 3.219 -11.677 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.631 3.915 -13.409 1.00 0.00 H new ATOM 1271 N SER A 108 -4.580 5.707 -6.030 1.00 0.00 N ATOM 1272 CA SER A 108 -5.001 5.810 -4.633 1.00 0.00 C ATOM 1273 C SER A 108 -5.545 4.488 -4.093 1.00 0.00 C ATOM 1274 O SER A 108 -5.872 3.575 -4.854 1.00 0.00 O ATOM 1275 CB SER A 108 -6.068 6.900 -4.484 1.00 0.00 C ATOM 1276 OG SER A 108 -7.316 6.470 -5.005 1.00 0.00 O ATOM 0 H SER A 108 -5.056 4.983 -6.568 1.00 0.00 H new ATOM 0 HA SER A 108 -4.117 6.069 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.181 7.161 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.745 7.802 -5.004 1.00 0.00 H new ATOM 0 HG SER A 108 -7.979 7.183 -4.896 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.624 4.398 -2.766 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.142 3.207 -2.088 1.00 0.00 C ATOM 1284 C PHE A 109 -6.897 3.600 -0.814 1.00 0.00 C ATOM 1285 O PHE A 109 -6.480 4.509 -0.092 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.009 2.220 -1.759 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.831 2.825 -1.037 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.776 3.383 -1.744 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.775 2.823 0.349 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.693 3.928 -1.083 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.692 3.364 1.015 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.650 3.919 0.297 1.00 0.00 C ATOM 0 H PHE A 109 -5.333 5.143 -2.133 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.836 2.710 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.415 1.413 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.656 1.771 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.802 3.391 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.588 2.393 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.879 4.361 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.660 3.353 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.803 4.345 0.814 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.011 2.919 -0.544 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.821 3.223 0.640 1.00 0.00 C ATOM 1304 C ALA A 110 -9.779 2.086 0.994 1.00 0.00 C ATOM 1305 O ALA A 110 -9.838 1.063 0.312 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.609 4.506 0.419 1.00 0.00 C ATOM 0 H ALA A 110 -8.372 2.160 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.134 3.349 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.207 4.723 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.919 5.330 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.266 4.386 -0.442 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.525 2.279 2.078 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.505 1.300 2.533 1.00 0.00 C ATOM 1314 C CYS A 111 -12.891 1.939 2.606 1.00 0.00 C ATOM 1315 O CYS A 111 -13.037 3.070 3.073 1.00 0.00 O ATOM 1316 CB CYS A 111 -11.113 0.740 3.903 1.00 0.00 C ATOM 1317 SG CYS A 111 -12.168 -0.613 4.476 1.00 0.00 S ATOM 0 H CYS A 111 -10.467 3.113 2.662 1.00 0.00 H new ATOM 0 HA CYS A 111 -11.529 0.478 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.082 0.389 3.859 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -11.144 1.546 4.636 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.441 -1.669 4.691 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.904 1.212 2.142 1.00 0.00 N ATOM 1324 CA GLY A 112 -15.268 1.731 2.151 1.00 0.00 C ATOM 1325 C GLY A 112 -15.897 1.758 3.536 1.00 0.00 C ATOM 1326 O GLY A 112 -16.764 0.943 3.847 1.00 0.00 O ATOM 0 H GLY A 112 -13.808 0.272 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.267 2.741 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.885 1.120 1.492 1.00 0.00 H new ATOM 1330 N MET A 113 -15.463 2.707 4.365 1.00 0.00 N ATOM 1331 CA MET A 113 -15.983 2.852 5.725 1.00 0.00 C ATOM 1332 C MET A 113 -15.620 4.216 6.321 1.00 0.00 C ATOM 1333 O MET A 113 -16.426 4.832 7.015 1.00 0.00 O ATOM 1334 CB MET A 113 -15.446 1.736 6.626 1.00 0.00 C ATOM 1335 CG MET A 113 -16.537 0.964 7.353 1.00 0.00 C ATOM 1336 SD MET A 113 -15.922 -0.535 8.145 1.00 0.00 S ATOM 1337 CE MET A 113 -15.489 -1.524 6.716 1.00 0.00 C ATOM 0 H MET A 113 -14.748 3.391 4.117 1.00 0.00 H new ATOM 0 HA MET A 113 -17.069 2.780 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 113 -14.862 1.042 6.022 1.00 0.00 H new ATOM 0 HB3 MET A 113 -14.767 2.168 7.361 1.00 0.00 H new ATOM 0 HG2 MET A 113 -16.991 1.608 8.106 1.00 0.00 H new ATOM 0 HG3 MET A 113 -17.322 0.699 6.645 1.00 0.00 H new ATOM 0 HE1 MET A 113 -15.470 -2.578 6.995 1.00 0.00 H new ATOM 0 HE2 MET A 113 -16.228 -1.370 5.930 1.00 0.00 H new ATOM 0 HE3 MET A 113 -14.505 -1.227 6.353 1.00 0.00 H new ATOM 1347 N ASN A 114 -14.402 4.677 6.046 1.00 0.00 N ATOM 1348 CA ASN A 114 -13.939 5.966 6.560 1.00 0.00 C ATOM 1349 C ASN A 114 -13.701 6.964 5.421 1.00 0.00 C ATOM 1350 O ASN A 114 -13.847 6.630 4.247 1.00 0.00 O ATOM 1351 CB ASN A 114 -12.654 5.780 7.375 1.00 0.00 C ATOM 1352 CG ASN A 114 -12.590 6.700 8.580 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -12.695 7.917 8.453 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -12.412 6.126 9.758 1.00 0.00 N ATOM 0 H ASN A 114 -13.720 4.181 5.473 1.00 0.00 H new ATOM 0 HA ASN A 114 -14.717 6.370 7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.586 4.745 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.792 5.965 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -12.358 6.698 10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.329 5.111 9.824 1.00 0.00 H new ATOM 1361 N MET A 115 -13.332 8.191 5.783 1.00 0.00 N ATOM 1362 CA MET A 115 -13.075 9.244 4.799 1.00 0.00 C ATOM 1363 C MET A 115 -11.584 9.348 4.465 1.00 0.00 C ATOM 1364 O MET A 115 -11.204 9.961 3.465 1.00 0.00 O ATOM 1365 CB MET A 115 -13.584 10.589 5.320 1.00 0.00 C ATOM 1366 CG MET A 115 -15.099 10.662 5.449 1.00 0.00 C ATOM 1367 SD MET A 115 -15.652 10.641 7.164 1.00 0.00 S ATOM 1368 CE MET A 115 -16.696 9.186 7.165 1.00 0.00 C ATOM 0 H MET A 115 -13.204 8.482 6.752 1.00 0.00 H new ATOM 0 HA MET A 115 -13.610 8.982 3.886 1.00 0.00 H new ATOM 0 HB2 MET A 115 -13.136 10.784 6.294 1.00 0.00 H new ATOM 0 HB3 MET A 115 -13.247 11.379 4.649 1.00 0.00 H new ATOM 0 HG2 MET A 115 -15.457 11.572 4.967 1.00 0.00 H new ATOM 0 HG3 MET A 115 -15.546 9.822 4.917 1.00 0.00 H new ATOM 0 HE1 MET A 115 -17.114 9.039 8.161 1.00 0.00 H new ATOM 0 HE2 MET A 115 -17.506 9.319 6.448 1.00 0.00 H new ATOM 0 HE3 MET A 115 -16.105 8.314 6.887 1.00 0.00 H new ATOM 1378 N MET A 116 -10.741 8.753 5.307 1.00 0.00 N ATOM 1379 CA MET A 116 -9.294 8.783 5.092 1.00 0.00 C ATOM 1380 C MET A 116 -8.892 7.847 3.946 1.00 0.00 C ATOM 1381 O MET A 116 -9.508 6.801 3.735 1.00 0.00 O ATOM 1382 CB MET A 116 -8.555 8.418 6.393 1.00 0.00 C ATOM 1383 CG MET A 116 -7.996 7.002 6.434 1.00 0.00 C ATOM 1384 SD MET A 116 -9.006 5.882 7.421 1.00 0.00 S ATOM 1385 CE MET A 116 -9.164 4.494 6.301 1.00 0.00 C ATOM 0 H MET A 116 -11.033 8.246 6.142 1.00 0.00 H new ATOM 0 HA MET A 116 -9.006 9.795 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.735 9.122 6.538 1.00 0.00 H new ATOM 0 HB3 MET A 116 -9.239 8.548 7.232 1.00 0.00 H new ATOM 0 HG2 MET A 116 -7.921 6.616 5.417 1.00 0.00 H new ATOM 0 HG3 MET A 116 -6.985 7.027 6.841 1.00 0.00 H new ATOM 0 HE1 MET A 116 -9.794 3.730 6.755 1.00 0.00 H new ATOM 0 HE2 MET A 116 -9.616 4.829 5.368 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.178 4.077 6.097 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.860 8.234 3.201 1.00 0.00 N ATOM 1396 CA HIS A 117 -7.389 7.429 2.075 1.00 0.00 C ATOM 1397 C HIS A 117 -5.906 7.671 1.791 1.00 0.00 C ATOM 1398 O HIS A 117 -5.352 8.708 2.159 1.00 0.00 O ATOM 1399 CB HIS A 117 -8.222 7.725 0.816 1.00 0.00 C ATOM 1400 CG HIS A 117 -8.094 9.131 0.299 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -7.197 9.493 -0.689 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -8.755 10.265 0.636 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -7.315 10.785 -0.935 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -8.251 11.275 -0.146 1.00 0.00 N ATOM 0 H HIS A 117 -7.335 9.095 3.354 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.512 6.381 2.347 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.924 7.033 0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -9.271 7.526 1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.532 10.357 1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -6.742 11.345 -1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -8.553 12.249 -0.121 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.276 6.707 1.129 1.00 0.00 N ATOM 1413 CA GLY A 118 -3.871 6.825 0.788 1.00 0.00 C ATOM 1414 C GLY A 118 -3.674 7.074 -0.697 1.00 0.00 C ATOM 1415 O GLY A 118 -4.504 6.671 -1.514 1.00 0.00 O ATOM 0 H GLY A 118 -5.717 5.840 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.426 7.641 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.348 5.913 1.077 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.588 7.744 -1.052 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.300 8.039 -2.454 1.00 0.00 C ATOM 1421 C LYS A 119 -1.020 7.344 -2.921 1.00 0.00 C ATOM 1422 O LYS A 119 -0.113 7.087 -2.128 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.185 9.548 -2.661 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.991 10.068 -3.841 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.164 11.578 -3.779 1.00 0.00 C ATOM 1426 CE LYS A 119 -2.029 12.303 -4.485 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.449 13.645 -4.979 1.00 0.00 N ATOM 0 H LYS A 119 -1.892 8.094 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.126 7.656 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.515 10.056 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.136 9.807 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.492 9.796 -4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.970 9.589 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.113 11.855 -4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.208 11.897 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.188 12.415 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.679 11.701 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.547 13.619 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.362 13.902 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.732 14.351 -4.717 1.00 0.00 H new ATOM 1441 N MET A 120 -0.956 7.047 -4.213 1.00 0.00 N ATOM 1442 CA MET A 120 0.204 6.379 -4.799 1.00 0.00 C ATOM 1443 C MET A 120 0.634 7.063 -6.096 1.00 0.00 C ATOM 1444 O MET A 120 -0.146 7.174 -7.036 1.00 0.00 O ATOM 1445 CB MET A 120 -0.130 4.912 -5.077 1.00 0.00 C ATOM 1446 CG MET A 120 1.085 4.046 -5.344 1.00 0.00 C ATOM 1447 SD MET A 120 0.857 2.355 -4.770 1.00 0.00 S ATOM 1448 CE MET A 120 0.012 1.645 -6.172 1.00 0.00 C ATOM 0 H MET A 120 -1.698 7.259 -4.880 1.00 0.00 H new ATOM 0 HA MET A 120 1.029 6.440 -4.089 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.674 4.505 -4.224 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.798 4.858 -5.936 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.296 4.039 -6.413 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.954 4.481 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.662 0.859 -5.831 1.00 0.00 H new ATOM 0 HE2 MET A 120 -0.562 2.419 -6.681 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.743 1.223 -6.862 1.00 0.00 H new ATOM 1458 N ILE A 121 1.877 7.515 -6.150 1.00 0.00 N ATOM 1459 CA ILE A 121 2.385 8.179 -7.348 1.00 0.00 C ATOM 1460 C ILE A 121 3.410 7.302 -8.063 1.00 0.00 C ATOM 1461 O ILE A 121 4.475 6.997 -7.522 1.00 0.00 O ATOM 1462 CB ILE A 121 3.006 9.560 -7.023 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.934 10.514 -6.486 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.661 10.158 -8.262 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.857 10.558 -4.976 1.00 0.00 C ATOM 0 H ILE A 121 2.550 7.437 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 121 1.533 8.340 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 121 3.769 9.420 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.134 11.518 -6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.963 10.215 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.092 11.128 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.448 9.491 -8.615 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.913 10.283 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.076 11.255 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.625 9.564 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.814 10.887 -4.572 1.00 0.00 H new ATOM 1477 N VAL A 122 3.075 6.894 -9.282 1.00 0.00 N ATOM 1478 CA VAL A 122 3.956 6.046 -10.075 1.00 0.00 C ATOM 1479 C VAL A 122 4.728 6.869 -11.109 1.00 0.00 C ATOM 1480 O VAL A 122 4.138 7.517 -11.973 1.00 0.00 O ATOM 1481 CB VAL A 122 3.160 4.930 -10.788 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.074 4.070 -11.646 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.420 4.074 -9.769 1.00 0.00 C ATOM 0 H VAL A 122 2.198 7.138 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 122 4.668 5.586 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 122 2.429 5.401 -11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.488 3.293 -12.136 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.556 4.692 -12.401 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.835 3.608 -11.017 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.864 3.292 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.138 3.618 -9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.728 4.698 -9.204 1.00 0.00 H new ATOM 1493 N GLU A 123 6.054 6.837 -11.015 1.00 0.00 N ATOM 1494 CA GLU A 123 6.909 7.587 -11.935 1.00 0.00 C ATOM 1495 C GLU A 123 7.269 6.756 -13.170 1.00 0.00 C ATOM 1496 O GLU A 123 8.127 5.852 -13.044 1.00 0.00 O ATOM 1497 CB GLU A 123 8.185 8.042 -11.220 1.00 0.00 C ATOM 1498 CG GLU A 123 7.954 9.155 -10.211 1.00 0.00 C ATOM 1499 CD GLU A 123 9.220 9.931 -9.894 1.00 0.00 C ATOM 1500 OE1 GLU A 123 9.494 10.929 -10.594 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.937 9.538 -8.950 1.00 0.00 O ATOM 0 H GLU A 123 6.562 6.300 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 123 6.351 8.462 -12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.630 7.188 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 123 8.907 8.381 -11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.200 9.840 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.554 8.729 -9.291 1.00 0.00 H new TER 1508 GLU A 123