USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 953 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 26 ASN : amide:sc=-0.00863 K(o=-0.12,f=-0.79) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.107 K(o=-0.12,f=-2.4!) USER MOD Set 2.1: A 25 THR OG1 : rot 161:sc= 1.22 USER MOD Set 2.2: A 117 TYR OH : rot -64:sc= 1.09 USER MOD Set 2.3: A 121 CYS SG : rot 153:sc= -1.43 USER MOD Set 3.1: A 7 THR OG1 : rot 146:sc= -0.157 USER MOD Set 3.2: A 9 THR OG1 : rot 115:sc= 1.48 USER MOD Set 4.1: A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Set 4.2: A 6 TYR OH : rot -13:sc= 0.731 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc=-0.00724 (180deg=-0.00865) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -162:sc= 0 (180deg=-0.327) USER MOD Single : A 5 LYS NZ :NH3+ 139:sc= 2.17 (180deg=0.533) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.591 K(o=-0.59,f=-2.8) USER MOD Single : A 14 SER OG : rot 119:sc= 0.182 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : A 31 GLN : amide:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.019) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.771) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 0.112 (180deg=-0.0485) USER MOD Single : A 66 TYR OH : rot 147:sc= 1.17 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.438 K(o=-0.44,f=-4.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= -0.125 (180deg=-0.408) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.16) USER MOD Single : A 100 MET CE :methyl -165:sc= -1.22 (180deg=-1.82!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.154 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 123 GLN : amide:sc= 0.895 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.419 1.125 -7.006 1.00 0.00 N ATOM 2 CA MET A 1 15.556 0.349 -8.256 1.00 0.00 C ATOM 3 C MET A 1 14.164 -0.101 -8.679 1.00 0.00 C ATOM 4 O MET A 1 13.277 -0.143 -7.836 1.00 0.00 O ATOM 5 CB MET A 1 16.444 -0.905 -8.138 1.00 0.00 C ATOM 6 CG MET A 1 17.578 -0.899 -7.111 1.00 0.00 C ATOM 7 SD MET A 1 18.448 -2.493 -7.062 1.00 0.00 S ATOM 8 CE MET A 1 19.765 -2.150 -8.253 1.00 0.00 C ATOM 0 H1 MET A 1 16.355 1.461 -6.702 1.00 0.00 H new ATOM 0 H2 MET A 1 14.795 1.941 -7.170 1.00 0.00 H new ATOM 0 H3 MET A 1 15.010 0.520 -6.265 1.00 0.00 H new ATOM 0 HA MET A 1 16.040 1.005 -8.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.795 -1.751 -7.911 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.884 -1.094 -9.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.285 -0.106 -7.354 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.174 -0.674 -6.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.404 -3.028 -8.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.326 -1.910 -9.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.360 -1.306 -7.905 1.00 0.00 H new ATOM 18 N LYS A 2 13.942 -0.485 -9.942 1.00 0.00 N ATOM 19 CA LYS A 2 12.668 -1.098 -10.338 1.00 0.00 C ATOM 20 C LYS A 2 12.525 -2.441 -9.615 1.00 0.00 C ATOM 21 O LYS A 2 13.077 -3.439 -10.084 1.00 0.00 O ATOM 22 CB LYS A 2 12.566 -1.283 -11.865 1.00 0.00 C ATOM 23 CG LYS A 2 12.282 0.012 -12.641 1.00 0.00 C ATOM 24 CD LYS A 2 13.532 0.845 -12.950 1.00 0.00 C ATOM 25 CE LYS A 2 13.138 2.042 -13.821 1.00 0.00 C ATOM 26 NZ LYS A 2 14.290 2.896 -14.158 1.00 0.00 N ATOM 0 H LYS A 2 14.618 -0.384 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 2 11.854 -0.432 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.498 -1.715 -12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.776 -2.002 -12.080 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.786 -0.240 -13.578 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.585 0.622 -12.066 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.992 1.190 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.273 0.233 -13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.675 1.682 -14.740 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.389 2.637 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.972 3.691 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.718 3.263 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.995 2.338 -14.681 1.00 0.00 H new ATOM 40 N MET A 3 11.832 -2.495 -8.476 1.00 0.00 N ATOM 41 CA MET A 3 11.707 -3.689 -7.638 1.00 0.00 C ATOM 42 C MET A 3 10.419 -3.616 -6.811 1.00 0.00 C ATOM 43 O MET A 3 9.903 -2.527 -6.549 1.00 0.00 O ATOM 44 CB MET A 3 12.939 -3.836 -6.729 1.00 0.00 C ATOM 45 CG MET A 3 13.116 -2.685 -5.737 1.00 0.00 C ATOM 46 SD MET A 3 14.809 -2.207 -5.335 1.00 0.00 S ATOM 47 CE MET A 3 15.479 -3.766 -4.719 1.00 0.00 C ATOM 0 H MET A 3 11.330 -1.690 -8.102 1.00 0.00 H new ATOM 0 HA MET A 3 11.654 -4.569 -8.278 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.861 -4.772 -6.175 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.831 -3.908 -7.351 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.602 -1.811 -6.137 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.611 -2.955 -4.810 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.385 -3.571 -4.145 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.742 -4.251 -4.080 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.715 -4.418 -5.560 1.00 0.00 H new ATOM 57 N LYS A 4 9.859 -4.768 -6.438 1.00 0.00 N ATOM 58 CA LYS A 4 8.475 -4.851 -5.977 1.00 0.00 C ATOM 59 C LYS A 4 8.328 -5.937 -4.913 1.00 0.00 C ATOM 60 O LYS A 4 8.206 -7.121 -5.232 1.00 0.00 O ATOM 61 CB LYS A 4 7.601 -4.997 -7.236 1.00 0.00 C ATOM 62 CG LYS A 4 6.129 -5.389 -7.062 1.00 0.00 C ATOM 63 CD LYS A 4 5.879 -6.895 -7.247 1.00 0.00 C ATOM 64 CE LYS A 4 4.510 -7.207 -7.850 1.00 0.00 C ATOM 65 NZ LYS A 4 3.402 -6.566 -7.124 1.00 0.00 N ATOM 0 H LYS A 4 10.349 -5.663 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 4 8.136 -3.956 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.630 -4.048 -7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.069 -5.742 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.795 -5.091 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.525 -4.836 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.655 -7.310 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.966 -7.393 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.494 -6.879 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.358 -8.286 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.495 -6.894 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.456 -6.817 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.470 -5.533 -7.228 1.00 0.00 H new ATOM 79 N LYS A 5 8.387 -5.528 -3.638 1.00 0.00 N ATOM 80 CA LYS A 5 8.126 -6.404 -2.489 1.00 0.00 C ATOM 81 C LYS A 5 6.662 -6.322 -2.045 1.00 0.00 C ATOM 82 O LYS A 5 5.887 -5.537 -2.595 1.00 0.00 O ATOM 83 CB LYS A 5 9.129 -6.096 -1.361 1.00 0.00 C ATOM 84 CG LYS A 5 10.491 -6.786 -1.592 1.00 0.00 C ATOM 85 CD LYS A 5 10.611 -8.148 -0.892 1.00 0.00 C ATOM 86 CE LYS A 5 12.059 -8.595 -0.675 1.00 0.00 C ATOM 87 NZ LYS A 5 12.749 -8.942 -1.934 1.00 0.00 N ATOM 0 H LYS A 5 8.619 -4.571 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 5 8.281 -7.443 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.276 -5.018 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.714 -6.423 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.645 -6.921 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.287 -6.131 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.106 -8.098 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.091 -8.900 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.608 -7.798 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.071 -9.459 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.722 -8.575 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.771 -9.976 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.240 -8.519 -2.737 1.00 0.00 H new ATOM 101 N TYR A 6 6.279 -7.162 -1.085 1.00 0.00 N ATOM 102 CA TYR A 6 4.974 -7.234 -0.424 1.00 0.00 C ATOM 103 C TYR A 6 5.159 -7.089 1.088 1.00 0.00 C ATOM 104 O TYR A 6 6.272 -6.847 1.534 1.00 0.00 O ATOM 105 CB TYR A 6 4.335 -8.586 -0.738 1.00 0.00 C ATOM 106 CG TYR A 6 4.016 -8.812 -2.195 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.014 -9.287 -3.060 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.720 -8.563 -2.680 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.717 -9.527 -4.408 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.402 -8.853 -4.019 1.00 0.00 C ATOM 111 CZ TYR A 6 3.397 -9.358 -4.886 1.00 0.00 C ATOM 112 OH TYR A 6 3.072 -9.653 -6.173 1.00 0.00 O ATOM 0 H TYR A 6 6.922 -7.865 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 6 4.330 -6.431 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.006 -9.376 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.415 -8.680 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.011 -9.468 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.968 -8.149 -2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.498 -9.842 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.399 -8.690 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 6 3.891 -9.779 -6.696 1.00 0.00 H new ATOM 122 N THR A 7 4.113 -7.264 1.898 1.00 0.00 N ATOM 123 CA THR A 7 4.161 -7.185 3.352 1.00 0.00 C ATOM 124 C THR A 7 3.314 -8.306 3.964 1.00 0.00 C ATOM 125 O THR A 7 2.646 -9.072 3.260 1.00 0.00 O ATOM 126 CB THR A 7 3.594 -5.835 3.802 1.00 0.00 C ATOM 127 OG1 THR A 7 2.274 -5.798 3.327 1.00 0.00 O ATOM 128 CG2 THR A 7 4.348 -4.610 3.297 1.00 0.00 C ATOM 0 H THR A 7 3.179 -7.471 1.544 1.00 0.00 H new ATOM 0 HA THR A 7 5.195 -7.288 3.682 1.00 0.00 H new ATOM 0 HB THR A 7 3.679 -5.777 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.710 -5.314 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.867 -3.707 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.378 -4.646 3.651 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.339 -4.601 2.207 1.00 0.00 H new ATOM 136 N LYS A 8 3.272 -8.364 5.289 1.00 0.00 N ATOM 137 CA LYS A 8 2.325 -9.176 6.051 1.00 0.00 C ATOM 138 C LYS A 8 0.968 -8.467 6.199 1.00 0.00 C ATOM 139 O LYS A 8 0.135 -8.945 6.967 1.00 0.00 O ATOM 140 CB LYS A 8 2.916 -9.557 7.426 1.00 0.00 C ATOM 141 CG LYS A 8 4.321 -10.170 7.344 1.00 0.00 C ATOM 142 CD LYS A 8 4.942 -10.368 8.725 1.00 0.00 C ATOM 143 CE LYS A 8 4.319 -11.617 9.345 1.00 0.00 C ATOM 144 NZ LYS A 8 5.359 -12.564 9.797 1.00 0.00 N ATOM 0 H LYS A 8 3.912 -7.834 5.881 1.00 0.00 H new ATOM 0 HA LYS A 8 2.148 -10.096 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.953 -8.668 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.248 -10.266 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.268 -11.130 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.964 -9.523 6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.023 -10.481 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.758 -9.497 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.691 -11.333 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.672 -12.104 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.907 -13.403 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.942 -12.852 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.961 -12.105 10.510 1.00 0.00 H new ATOM 158 N THR A 9 0.719 -7.332 5.542 1.00 0.00 N ATOM 159 CA THR A 9 -0.490 -6.532 5.724 1.00 0.00 C ATOM 160 C THR A 9 -1.221 -6.381 4.388 1.00 0.00 C ATOM 161 O THR A 9 -1.764 -5.318 4.101 1.00 0.00 O ATOM 162 CB THR A 9 -0.129 -5.201 6.427 1.00 0.00 C ATOM 163 OG1 THR A 9 0.904 -4.499 5.759 1.00 0.00 O ATOM 164 CG2 THR A 9 0.384 -5.464 7.848 1.00 0.00 C ATOM 0 H THR A 9 1.364 -6.938 4.857 1.00 0.00 H new ATOM 0 HA THR A 9 -1.199 -7.032 6.385 1.00 0.00 H new ATOM 0 HB THR A 9 -1.045 -4.610 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.552 -3.653 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.633 -4.517 8.326 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.389 -5.970 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.274 -6.092 7.803 1.00 0.00 H new ATOM 172 N HIS A 10 -1.287 -7.462 3.587 1.00 0.00 N ATOM 173 CA HIS A 10 -2.014 -7.549 2.313 1.00 0.00 C ATOM 174 C HIS A 10 -1.810 -6.295 1.450 1.00 0.00 C ATOM 175 O HIS A 10 -2.754 -5.563 1.130 1.00 0.00 O ATOM 176 CB HIS A 10 -3.486 -7.914 2.579 1.00 0.00 C ATOM 177 CG HIS A 10 -4.173 -7.042 3.594 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.472 -5.711 3.398 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.543 -7.393 4.863 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.048 -5.264 4.524 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.126 -6.269 5.416 1.00 0.00 N ATOM 0 H HIS A 10 -0.814 -8.334 3.823 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.599 -8.356 1.709 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.036 -7.858 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.535 -8.949 2.916 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.289 -5.167 2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.407 -8.354 5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.395 -4.255 4.689 1.00 0.00 H new ATOM 190 N GLU A 11 -0.552 -6.029 1.117 1.00 0.00 N ATOM 191 CA GLU A 11 -0.038 -4.739 0.705 1.00 0.00 C ATOM 192 C GLU A 11 1.165 -4.963 -0.210 1.00 0.00 C ATOM 193 O GLU A 11 2.059 -5.756 0.106 1.00 0.00 O ATOM 194 CB GLU A 11 0.380 -3.975 1.964 1.00 0.00 C ATOM 195 CG GLU A 11 -0.362 -2.676 2.221 1.00 0.00 C ATOM 196 CD GLU A 11 0.321 -1.965 3.386 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.022 -2.311 4.555 1.00 0.00 O ATOM 198 OE2 GLU A 11 1.171 -1.097 3.072 1.00 0.00 O ATOM 0 H GLU A 11 0.170 -6.749 1.130 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.790 -4.165 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.242 -4.628 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.446 -3.756 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.349 -2.047 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.408 -2.875 2.456 1.00 0.00 H new ATOM 205 N TRP A 12 1.197 -4.254 -1.336 1.00 0.00 N ATOM 206 CA TRP A 12 2.273 -4.275 -2.313 1.00 0.00 C ATOM 207 C TRP A 12 3.011 -2.938 -2.288 1.00 0.00 C ATOM 208 O TRP A 12 2.487 -1.915 -1.830 1.00 0.00 O ATOM 209 CB TRP A 12 1.712 -4.568 -3.711 1.00 0.00 C ATOM 210 CG TRP A 12 0.670 -3.611 -4.186 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.661 -3.803 -4.098 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.842 -2.321 -4.846 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.323 -2.689 -4.558 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.445 -1.740 -5.019 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.939 -1.591 -5.350 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.631 -0.488 -5.612 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.744 -0.366 -6.014 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.466 0.185 -6.153 1.00 0.00 C ATOM 0 H TRP A 12 0.440 -3.624 -1.600 1.00 0.00 H new ATOM 0 HA TRP A 12 2.978 -5.067 -2.061 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.536 -4.568 -4.424 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.289 -5.573 -3.713 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.136 -4.697 -3.723 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.337 -2.582 -4.557 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.940 -1.977 -5.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.615 -0.045 -5.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.595 0.158 -6.423 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.329 1.121 -6.673 1.00 0.00 H new ATOM 229 N VAL A 13 4.228 -2.967 -2.821 1.00 0.00 N ATOM 230 CA VAL A 13 5.194 -1.888 -2.800 1.00 0.00 C ATOM 231 C VAL A 13 5.824 -1.876 -4.188 1.00 0.00 C ATOM 232 O VAL A 13 6.161 -2.935 -4.715 1.00 0.00 O ATOM 233 CB VAL A 13 6.280 -2.169 -1.733 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.891 -0.848 -1.273 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.801 -2.939 -0.487 1.00 0.00 C ATOM 0 H VAL A 13 4.581 -3.793 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 13 4.729 -0.933 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 13 7.003 -2.816 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.656 -1.043 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.341 -0.339 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.113 -0.217 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.638 -3.083 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.018 -2.370 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.407 -3.910 -0.788 1.00 0.00 H new ATOM 245 N SER A 14 5.998 -0.699 -4.774 1.00 0.00 N ATOM 246 CA SER A 14 6.446 -0.535 -6.147 1.00 0.00 C ATOM 247 C SER A 14 7.567 0.483 -6.194 1.00 0.00 C ATOM 248 O SER A 14 7.336 1.647 -6.526 1.00 0.00 O ATOM 249 CB SER A 14 5.261 -0.062 -6.979 1.00 0.00 C ATOM 250 OG SER A 14 4.642 -1.141 -7.651 1.00 0.00 O ATOM 0 H SER A 14 5.828 0.186 -4.296 1.00 0.00 H new ATOM 0 HA SER A 14 6.821 -1.478 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.535 0.432 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.596 0.678 -7.706 1.00 0.00 H new ATOM 0 HG SER A 14 3.712 -1.223 -7.352 1.00 0.00 H new ATOM 256 N ILE A 15 8.762 0.059 -5.801 1.00 0.00 N ATOM 257 CA ILE A 15 9.939 0.901 -5.819 1.00 0.00 C ATOM 258 C ILE A 15 10.336 1.103 -7.292 1.00 0.00 C ATOM 259 O ILE A 15 10.272 0.171 -8.100 1.00 0.00 O ATOM 260 CB ILE A 15 11.037 0.270 -4.939 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.618 0.087 -3.462 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.315 1.122 -4.955 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.016 -1.283 -3.123 1.00 0.00 C ATOM 0 H ILE A 15 8.937 -0.886 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 15 9.759 1.887 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 15 11.213 -0.714 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.491 0.250 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.892 0.859 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.072 0.654 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.688 1.199 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.093 2.119 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.754 -1.314 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.121 -1.446 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.745 -2.064 -3.339 1.00 0.00 H new ATOM 275 N GLU A 16 10.734 2.329 -7.643 1.00 0.00 N ATOM 276 CA GLU A 16 11.115 2.722 -8.995 1.00 0.00 C ATOM 277 C GLU A 16 12.508 3.368 -8.984 1.00 0.00 C ATOM 278 O GLU A 16 13.515 2.658 -9.074 1.00 0.00 O ATOM 279 CB GLU A 16 10.001 3.556 -9.661 1.00 0.00 C ATOM 280 CG GLU A 16 9.420 4.718 -8.832 1.00 0.00 C ATOM 281 CD GLU A 16 8.584 5.648 -9.708 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.492 5.228 -10.153 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.989 6.808 -9.939 1.00 0.00 O ATOM 0 H GLU A 16 10.801 3.095 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 16 11.212 1.843 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.392 3.964 -10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.184 2.884 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.804 4.322 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.231 5.280 -8.368 1.00 0.00 H new ATOM 290 N ASP A 17 12.615 4.693 -8.885 1.00 0.00 N ATOM 291 CA ASP A 17 13.887 5.391 -8.702 1.00 0.00 C ATOM 292 C ASP A 17 14.202 5.363 -7.213 1.00 0.00 C ATOM 293 O ASP A 17 14.883 4.463 -6.725 1.00 0.00 O ATOM 294 CB ASP A 17 13.827 6.815 -9.298 1.00 0.00 C ATOM 295 CG ASP A 17 15.220 7.320 -9.690 1.00 0.00 C ATOM 296 OD1 ASP A 17 16.198 7.007 -8.988 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.352 8.039 -10.712 1.00 0.00 O ATOM 0 H ASP A 17 11.811 5.319 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 17 14.697 4.899 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.179 6.817 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.383 7.496 -8.572 1.00 0.00 H new ATOM 302 N LYS A 18 13.587 6.286 -6.478 1.00 0.00 N ATOM 303 CA LYS A 18 13.758 6.518 -5.046 1.00 0.00 C ATOM 304 C LYS A 18 12.406 6.607 -4.358 1.00 0.00 C ATOM 305 O LYS A 18 12.348 6.942 -3.183 1.00 0.00 O ATOM 306 CB LYS A 18 14.539 7.827 -4.824 1.00 0.00 C ATOM 307 CG LYS A 18 15.767 7.986 -5.733 1.00 0.00 C ATOM 308 CD LYS A 18 16.479 9.313 -5.482 1.00 0.00 C ATOM 309 CE LYS A 18 17.445 9.658 -6.624 1.00 0.00 C ATOM 310 NZ LYS A 18 18.641 8.800 -6.682 1.00 0.00 N ATOM 0 H LYS A 18 12.915 6.932 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 18 14.314 5.684 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.868 8.670 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.862 7.873 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.459 7.162 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.458 7.929 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.741 10.108 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.029 9.260 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.911 9.583 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.761 10.696 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.242 9.095 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.175 8.888 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.352 7.810 -6.816 1.00 0.00 H new ATOM 324 N VAL A 19 11.324 6.312 -5.070 1.00 0.00 N ATOM 325 CA VAL A 19 9.968 6.340 -4.548 1.00 0.00 C ATOM 326 C VAL A 19 9.426 4.919 -4.648 1.00 0.00 C ATOM 327 O VAL A 19 9.814 4.190 -5.566 1.00 0.00 O ATOM 328 CB VAL A 19 9.151 7.391 -5.334 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.647 7.393 -5.029 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.670 8.806 -5.039 1.00 0.00 C ATOM 0 H VAL A 19 11.370 6.040 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 19 9.913 6.644 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 19 9.283 7.109 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.156 8.162 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.225 6.418 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.491 7.600 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.083 9.533 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.579 9.012 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.717 8.879 -5.334 1.00 0.00 H new ATOM 340 N ALA A 20 8.526 4.537 -3.736 1.00 0.00 N ATOM 341 CA ALA A 20 7.606 3.425 -3.914 1.00 0.00 C ATOM 342 C ALA A 20 6.191 3.983 -3.996 1.00 0.00 C ATOM 343 O ALA A 20 5.835 4.879 -3.227 1.00 0.00 O ATOM 344 CB ALA A 20 7.694 2.408 -2.768 1.00 0.00 C ATOM 0 H ALA A 20 8.420 5.007 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 20 7.874 2.899 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.988 1.597 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.705 2.004 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.451 2.899 -1.826 1.00 0.00 H new ATOM 350 N THR A 21 5.364 3.418 -4.873 1.00 0.00 N ATOM 351 CA THR A 21 3.923 3.449 -4.654 1.00 0.00 C ATOM 352 C THR A 21 3.579 2.347 -3.640 1.00 0.00 C ATOM 353 O THR A 21 4.116 1.240 -3.733 1.00 0.00 O ATOM 354 CB THR A 21 3.176 3.276 -5.986 1.00 0.00 C ATOM 355 OG1 THR A 21 3.510 4.297 -6.906 1.00 0.00 O ATOM 356 CG2 THR A 21 1.667 3.395 -5.794 1.00 0.00 C ATOM 0 H THR A 21 5.660 2.942 -5.725 1.00 0.00 H new ATOM 0 HA THR A 21 3.608 4.411 -4.250 1.00 0.00 H new ATOM 0 HB THR A 21 3.464 2.292 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.019 4.157 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.167 3.268 -6.754 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.326 2.624 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.428 4.378 -5.388 1.00 0.00 H new ATOM 364 N VAL A 22 2.707 2.664 -2.683 1.00 0.00 N ATOM 365 CA VAL A 22 2.019 1.766 -1.761 1.00 0.00 C ATOM 366 C VAL A 22 0.552 1.558 -2.206 1.00 0.00 C ATOM 367 O VAL A 22 -0.161 2.529 -2.489 1.00 0.00 O ATOM 368 CB VAL A 22 2.073 2.412 -0.353 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.469 1.493 0.717 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.512 2.783 0.061 1.00 0.00 C ATOM 0 H VAL A 22 2.443 3.636 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 22 2.500 0.788 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 22 1.480 3.324 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.525 1.981 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.426 1.288 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.025 0.556 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.501 3.232 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.129 1.885 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.924 3.494 -0.654 1.00 0.00 H new ATOM 380 N GLY A 23 0.057 0.314 -2.165 1.00 0.00 N ATOM 381 CA GLY A 23 -1.375 0.010 -2.175 1.00 0.00 C ATOM 382 C GLY A 23 -1.658 -1.391 -1.623 1.00 0.00 C ATOM 383 O GLY A 23 -0.725 -2.136 -1.309 1.00 0.00 O ATOM 0 H GLY A 23 0.648 -0.516 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.909 0.751 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.756 0.084 -3.193 1.00 0.00 H new ATOM 387 N ILE A 24 -2.936 -1.755 -1.452 1.00 0.00 N ATOM 388 CA ILE A 24 -3.329 -3.085 -0.973 1.00 0.00 C ATOM 389 C ILE A 24 -3.437 -4.069 -2.139 1.00 0.00 C ATOM 390 O ILE A 24 -3.664 -3.663 -3.273 1.00 0.00 O ATOM 391 CB ILE A 24 -4.624 -3.061 -0.140 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.801 -2.366 -0.846 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.344 -2.416 1.223 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.177 -2.839 -0.348 1.00 0.00 C ATOM 0 H ILE A 24 -3.724 -1.136 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.541 -3.426 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.936 -4.097 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.720 -1.289 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.729 -2.546 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.261 -2.399 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.584 -2.994 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.988 -1.396 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.961 -2.308 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.278 -3.910 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.268 -2.634 0.719 1.00 0.00 H new ATOM 406 N THR A 25 -3.258 -5.364 -1.878 1.00 0.00 N ATOM 407 CA THR A 25 -3.298 -6.410 -2.899 1.00 0.00 C ATOM 408 C THR A 25 -4.736 -6.860 -3.185 1.00 0.00 C ATOM 409 O THR A 25 -5.675 -6.518 -2.457 1.00 0.00 O ATOM 410 CB THR A 25 -2.426 -7.590 -2.434 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.730 -7.952 -1.099 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.936 -7.256 -2.506 1.00 0.00 C ATOM 0 H THR A 25 -3.079 -5.720 -0.939 1.00 0.00 H new ATOM 0 HA THR A 25 -2.903 -6.014 -3.834 1.00 0.00 H new ATOM 0 HB THR A 25 -2.646 -8.418 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.402 -8.858 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.354 -8.114 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.666 -7.015 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.724 -6.400 -1.865 1.00 0.00 H new ATOM 420 N ASN A 26 -4.912 -7.693 -4.219 1.00 0.00 N ATOM 421 CA ASN A 26 -6.220 -8.238 -4.591 1.00 0.00 C ATOM 422 C ASN A 26 -6.870 -9.015 -3.432 1.00 0.00 C ATOM 423 O ASN A 26 -8.067 -8.901 -3.176 1.00 0.00 O ATOM 424 CB ASN A 26 -6.100 -9.108 -5.848 1.00 0.00 C ATOM 425 CG ASN A 26 -7.368 -8.999 -6.688 1.00 0.00 C ATOM 426 OD1 ASN A 26 -8.361 -9.678 -6.463 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.376 -8.098 -7.649 1.00 0.00 N ATOM 0 H ASN A 26 -4.150 -8.007 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.878 -7.399 -4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.238 -8.793 -6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.931 -10.147 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.215 -7.961 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.543 -7.537 -7.829 1.00 0.00 H new ATOM 434 N HIS A 27 -6.067 -9.720 -2.635 1.00 0.00 N ATOM 435 CA HIS A 27 -6.512 -10.446 -1.446 1.00 0.00 C ATOM 436 C HIS A 27 -7.278 -9.547 -0.469 1.00 0.00 C ATOM 437 O HIS A 27 -8.234 -9.986 0.164 1.00 0.00 O ATOM 438 CB HIS A 27 -5.258 -11.062 -0.815 1.00 0.00 C ATOM 439 CG HIS A 27 -5.484 -12.093 0.259 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.583 -13.457 0.052 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.410 -11.874 1.607 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.578 -14.056 1.257 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.453 -13.115 2.210 1.00 0.00 N ATOM 0 H HIS A 27 -5.064 -9.804 -2.803 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.224 -11.225 -1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.666 -11.519 -1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.657 -10.256 -0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.333 -10.918 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.661 -15.119 1.431 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.399 -13.290 3.213 1.00 0.00 H new ATOM 452 N ALA A 28 -6.909 -8.267 -0.372 1.00 0.00 N ATOM 453 CA ALA A 28 -7.570 -7.332 0.521 1.00 0.00 C ATOM 454 C ALA A 28 -8.943 -6.901 -0.007 1.00 0.00 C ATOM 455 O ALA A 28 -9.901 -6.855 0.774 1.00 0.00 O ATOM 456 CB ALA A 28 -6.666 -6.123 0.694 1.00 0.00 C ATOM 0 H ALA A 28 -6.146 -7.858 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.745 -7.822 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.142 -5.405 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.714 -6.439 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.493 -5.656 -0.276 1.00 0.00 H new ATOM 462 N GLN A 29 -9.060 -6.587 -1.310 1.00 0.00 N ATOM 463 CA GLN A 29 -10.357 -6.238 -1.909 1.00 0.00 C ATOM 464 C GLN A 29 -11.327 -7.424 -1.834 1.00 0.00 C ATOM 465 O GLN A 29 -12.535 -7.230 -1.719 1.00 0.00 O ATOM 466 CB GLN A 29 -10.236 -5.620 -3.323 1.00 0.00 C ATOM 467 CG GLN A 29 -9.569 -6.398 -4.453 1.00 0.00 C ATOM 468 CD GLN A 29 -10.465 -7.450 -5.096 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.201 -7.202 -6.042 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.403 -8.673 -4.627 1.00 0.00 N ATOM 0 H GLN A 29 -8.277 -6.568 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.787 -5.436 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.245 -5.373 -3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.696 -4.679 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.243 -5.696 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.674 -6.885 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.792 -8.887 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.966 -9.411 -5.050 1.00 0.00 H new ATOM 479 N GLU A 30 -10.810 -8.655 -1.778 1.00 0.00 N ATOM 480 CA GLU A 30 -11.581 -9.881 -1.639 1.00 0.00 C ATOM 481 C GLU A 30 -12.307 -9.924 -0.292 1.00 0.00 C ATOM 482 O GLU A 30 -13.308 -10.624 -0.165 1.00 0.00 O ATOM 483 CB GLU A 30 -10.638 -11.089 -1.818 1.00 0.00 C ATOM 484 CG GLU A 30 -10.916 -11.840 -3.122 1.00 0.00 C ATOM 485 CD GLU A 30 -9.901 -12.961 -3.349 1.00 0.00 C ATOM 486 OE1 GLU A 30 -10.111 -14.085 -2.829 1.00 0.00 O ATOM 487 OE2 GLU A 30 -8.863 -12.710 -4.001 1.00 0.00 O ATOM 0 H GLU A 30 -9.806 -8.825 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.350 -9.917 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.603 -10.746 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.755 -11.770 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.922 -12.258 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.883 -11.143 -3.959 1.00 0.00 H new ATOM 494 N GLN A 31 -11.857 -9.157 0.706 1.00 0.00 N ATOM 495 CA GLN A 31 -12.490 -9.100 2.015 1.00 0.00 C ATOM 496 C GLN A 31 -13.331 -7.830 2.170 1.00 0.00 C ATOM 497 O GLN A 31 -14.422 -7.907 2.741 1.00 0.00 O ATOM 498 CB GLN A 31 -11.436 -9.195 3.121 1.00 0.00 C ATOM 499 CG GLN A 31 -10.528 -10.429 2.976 1.00 0.00 C ATOM 500 CD GLN A 31 -9.691 -10.711 4.218 1.00 0.00 C ATOM 501 OE1 GLN A 31 -9.495 -11.862 4.601 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.194 -9.700 4.904 1.00 0.00 N ATOM 0 H GLN A 31 -11.037 -8.556 0.621 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.163 -9.953 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.822 -8.295 3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.935 -9.228 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.144 -11.301 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.864 -10.285 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.354 -8.743 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.650 -9.875 5.749 1.00 0.00 H new ATOM 511 N LEU A 32 -12.848 -6.664 1.707 1.00 0.00 N ATOM 512 CA LEU A 32 -13.554 -5.391 1.914 1.00 0.00 C ATOM 513 C LEU A 32 -14.659 -5.130 0.895 1.00 0.00 C ATOM 514 O LEU A 32 -15.547 -4.331 1.195 1.00 0.00 O ATOM 515 CB LEU A 32 -12.604 -4.180 1.906 1.00 0.00 C ATOM 516 CG LEU A 32 -11.647 -4.046 3.108 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.126 -2.607 3.167 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.287 -4.374 4.461 1.00 0.00 C ATOM 0 H LEU A 32 -11.974 -6.578 1.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.006 -5.502 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.005 -4.223 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.207 -3.274 1.848 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.852 -4.774 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.448 -2.500 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.594 -2.374 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.965 -1.921 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.547 -4.255 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.123 -3.698 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.647 -5.403 4.453 1.00 0.00 H new ATOM 530 N GLY A 33 -14.650 -5.788 -0.265 1.00 0.00 N ATOM 531 CA GLY A 33 -15.669 -5.613 -1.292 1.00 0.00 C ATOM 532 C GLY A 33 -15.796 -4.147 -1.699 1.00 0.00 C ATOM 533 O GLY A 33 -14.814 -3.543 -2.122 1.00 0.00 O ATOM 0 H GLY A 33 -13.928 -6.462 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.417 -6.215 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.628 -5.975 -0.922 1.00 0.00 H new ATOM 537 N ASP A 34 -17.005 -3.591 -1.576 1.00 0.00 N ATOM 538 CA ASP A 34 -17.549 -2.485 -2.375 1.00 0.00 C ATOM 539 C ASP A 34 -17.107 -1.091 -1.977 1.00 0.00 C ATOM 540 O ASP A 34 -17.772 -0.082 -2.212 1.00 0.00 O ATOM 541 CB ASP A 34 -19.088 -2.576 -2.354 1.00 0.00 C ATOM 542 CG ASP A 34 -19.668 -3.611 -3.314 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.440 -3.516 -4.540 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.488 -4.442 -2.854 1.00 0.00 O ATOM 0 H ASP A 34 -17.670 -3.919 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.139 -2.617 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.413 -2.815 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.502 -1.598 -2.599 1.00 0.00 H new ATOM 549 N VAL A 35 -15.874 -0.999 -1.516 1.00 0.00 N ATOM 550 CA VAL A 35 -15.476 -0.321 -0.311 1.00 0.00 C ATOM 551 C VAL A 35 -16.494 0.718 0.100 1.00 0.00 C ATOM 552 O VAL A 35 -17.552 0.267 0.545 1.00 0.00 O ATOM 553 CB VAL A 35 -14.065 0.204 -0.591 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.448 0.767 0.654 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.083 -0.874 -1.036 1.00 0.00 C ATOM 0 H VAL A 35 -15.084 -1.421 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.443 -0.973 0.562 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.212 0.942 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.446 1.134 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.061 1.589 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.388 -0.012 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.106 -0.425 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.997 -1.632 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.443 -1.337 -1.955 1.00 0.00 H new ATOM 565 N VAL A 36 -16.140 2.000 0.095 1.00 0.00 N ATOM 566 CA VAL A 36 -16.868 3.135 0.613 1.00 0.00 C ATOM 567 C VAL A 36 -15.998 4.390 0.599 1.00 0.00 C ATOM 568 O VAL A 36 -16.474 5.440 0.178 1.00 0.00 O ATOM 569 CB VAL A 36 -17.440 2.824 2.025 1.00 0.00 C ATOM 570 CG1 VAL A 36 -16.556 3.148 3.215 1.00 0.00 C ATOM 571 CG2 VAL A 36 -18.879 3.286 2.133 1.00 0.00 C ATOM 0 H VAL A 36 -15.250 2.288 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.719 3.333 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.441 1.737 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.075 2.883 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.628 2.580 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.329 4.214 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.260 3.059 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.930 4.361 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.484 2.771 1.387 1.00 0.00 H new ATOM 581 N TYR A 37 -14.758 4.290 1.087 1.00 0.00 N ATOM 582 CA TYR A 37 -13.944 5.465 1.422 1.00 0.00 C ATOM 583 C TYR A 37 -12.498 5.076 1.719 1.00 0.00 C ATOM 584 O TYR A 37 -12.237 3.941 2.126 1.00 0.00 O ATOM 585 CB TYR A 37 -14.519 6.136 2.682 1.00 0.00 C ATOM 586 CG TYR A 37 -13.754 7.366 3.134 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.617 8.467 2.267 1.00 0.00 C ATOM 588 CD2 TYR A 37 -13.090 7.364 4.377 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.829 9.563 2.650 1.00 0.00 C ATOM 590 CE2 TYR A 37 -12.288 8.452 4.757 1.00 0.00 C ATOM 591 CZ TYR A 37 -12.158 9.562 3.891 1.00 0.00 C ATOM 592 OH TYR A 37 -11.410 10.641 4.237 1.00 0.00 O ATOM 0 H TYR A 37 -14.292 3.400 1.260 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.965 6.140 0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.555 6.416 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.530 5.409 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.117 8.468 1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.199 6.520 5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.736 10.413 1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.773 8.441 5.706 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.011 10.493 5.120 1.00 0.00 H new ATOM 602 N VAL A 38 -11.574 6.036 1.610 1.00 0.00 N ATOM 603 CA VAL A 38 -10.163 5.894 1.938 1.00 0.00 C ATOM 604 C VAL A 38 -9.621 7.175 2.539 1.00 0.00 C ATOM 605 O VAL A 38 -9.990 8.283 2.159 1.00 0.00 O ATOM 606 CB VAL A 38 -9.395 5.459 0.674 1.00 0.00 C ATOM 607 CG1 VAL A 38 -7.887 5.781 0.708 1.00 0.00 C ATOM 608 CG2 VAL A 38 -9.606 3.977 0.422 1.00 0.00 C ATOM 0 H VAL A 38 -11.805 6.971 1.276 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.030 5.122 2.696 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.808 6.047 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.422 5.443 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.747 6.857 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.425 5.271 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.060 3.679 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.241 3.407 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.669 3.780 0.281 1.00 0.00 H new ATOM 618 N ASP A 39 -8.718 6.960 3.492 1.00 0.00 N ATOM 619 CA ASP A 39 -7.982 7.944 4.249 1.00 0.00 C ATOM 620 C ASP A 39 -6.576 8.045 3.691 1.00 0.00 C ATOM 621 O ASP A 39 -6.010 7.018 3.327 1.00 0.00 O ATOM 622 CB ASP A 39 -7.986 7.464 5.722 1.00 0.00 C ATOM 623 CG ASP A 39 -6.773 7.874 6.563 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.669 9.061 6.941 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.996 6.984 6.993 1.00 0.00 O ATOM 0 H ASP A 39 -8.469 6.011 3.770 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.427 8.937 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.885 7.846 6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.058 6.376 5.729 1.00 0.00 H new ATOM 630 N LEU A 40 -6.026 9.261 3.587 1.00 0.00 N ATOM 631 CA LEU A 40 -4.747 9.524 2.938 1.00 0.00 C ATOM 632 C LEU A 40 -3.896 10.488 3.783 1.00 0.00 C ATOM 633 O LEU A 40 -4.447 11.273 4.560 1.00 0.00 O ATOM 634 CB LEU A 40 -4.979 10.137 1.544 1.00 0.00 C ATOM 635 CG LEU A 40 -5.555 9.234 0.436 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.944 7.836 0.317 1.00 0.00 C ATOM 637 CD2 LEU A 40 -7.056 9.302 0.247 1.00 0.00 C ATOM 0 H LEU A 40 -6.469 10.101 3.960 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.215 8.578 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.650 10.988 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.026 10.530 1.191 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.176 9.725 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.429 7.295 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.877 7.922 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.090 7.294 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.352 8.628 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.553 9.006 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.345 10.321 -0.009 1.00 0.00 H new ATOM 649 N PRO A 41 -2.558 10.467 3.630 1.00 0.00 N ATOM 650 CA PRO A 41 -1.627 11.320 4.373 1.00 0.00 C ATOM 651 C PRO A 41 -1.429 12.716 3.764 1.00 0.00 C ATOM 652 O PRO A 41 -1.988 13.047 2.719 1.00 0.00 O ATOM 653 CB PRO A 41 -0.313 10.540 4.392 1.00 0.00 C ATOM 654 CG PRO A 41 -0.382 9.603 3.185 1.00 0.00 C ATOM 655 CD PRO A 41 -1.848 9.497 2.813 1.00 0.00 C ATOM 0 HA PRO A 41 -2.022 11.525 5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.543 11.211 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.202 9.979 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.203 9.996 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.029 8.623 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.994 9.703 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.222 8.490 2.996 1.00 0.00 H new ATOM 663 N GLU A 42 -0.574 13.538 4.386 1.00 0.00 N ATOM 664 CA GLU A 42 -0.015 14.731 3.771 1.00 0.00 C ATOM 665 C GLU A 42 1.221 14.379 2.948 1.00 0.00 C ATOM 666 O GLU A 42 1.930 13.418 3.246 1.00 0.00 O ATOM 667 CB GLU A 42 0.372 15.746 4.850 1.00 0.00 C ATOM 668 CG GLU A 42 0.372 17.164 4.268 1.00 0.00 C ATOM 669 CD GLU A 42 1.726 17.734 3.816 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.696 17.773 4.611 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.794 18.233 2.667 1.00 0.00 O ATOM 0 H GLU A 42 -0.252 13.384 5.342 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.771 15.164 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.329 15.687 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.359 15.508 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.304 17.179 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.046 17.837 5.017 1.00 0.00 H new ATOM 678 N VAL A 43 1.536 15.215 1.965 1.00 0.00 N ATOM 679 CA VAL A 43 2.438 14.956 0.840 1.00 0.00 C ATOM 680 C VAL A 43 3.936 15.153 1.178 1.00 0.00 C ATOM 681 O VAL A 43 4.789 15.304 0.307 1.00 0.00 O ATOM 682 CB VAL A 43 1.890 15.825 -0.321 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.658 17.134 -0.511 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.814 15.051 -1.634 1.00 0.00 C ATOM 0 H VAL A 43 1.144 16.156 1.927 1.00 0.00 H new ATOM 0 HA VAL A 43 2.440 13.905 0.551 1.00 0.00 H new ATOM 0 HB VAL A 43 0.876 16.092 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.223 17.694 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.596 17.728 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.703 16.914 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.424 15.701 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.810 14.706 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.153 14.193 -1.513 1.00 0.00 H new ATOM 694 N GLY A 44 4.243 15.143 2.466 1.00 0.00 N ATOM 695 CA GLY A 44 5.542 15.379 3.077 1.00 0.00 C ATOM 696 C GLY A 44 5.621 14.803 4.494 1.00 0.00 C ATOM 697 O GLY A 44 6.526 15.151 5.259 1.00 0.00 O ATOM 0 H GLY A 44 3.529 14.954 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.320 14.931 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.738 16.451 3.109 1.00 0.00 H new ATOM 701 N ARG A 45 4.670 13.946 4.892 1.00 0.00 N ATOM 702 CA ARG A 45 4.672 13.366 6.238 1.00 0.00 C ATOM 703 C ARG A 45 5.769 12.306 6.337 1.00 0.00 C ATOM 704 O ARG A 45 5.904 11.495 5.422 1.00 0.00 O ATOM 705 CB ARG A 45 3.284 12.789 6.542 1.00 0.00 C ATOM 706 CG ARG A 45 3.033 12.646 8.052 1.00 0.00 C ATOM 707 CD ARG A 45 1.591 12.177 8.243 1.00 0.00 C ATOM 708 NE ARG A 45 1.134 12.247 9.644 1.00 0.00 N ATOM 709 CZ ARG A 45 0.106 12.969 10.126 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.673 13.685 9.321 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.126 12.978 11.436 1.00 0.00 N ATOM 0 H ARG A 45 3.895 13.642 4.303 1.00 0.00 H new ATOM 0 HA ARG A 45 4.887 14.132 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.521 13.435 6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.185 11.814 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.729 11.930 8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.196 13.598 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.933 12.786 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.501 11.150 7.890 1.00 0.00 H new ATOM 0 HE ARG A 45 1.654 11.688 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.497 13.694 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.447 14.225 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.473 12.441 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.902 13.522 11.813 1.00 0.00 H new ATOM 725 N GLU A 46 6.549 12.277 7.418 1.00 0.00 N ATOM 726 CA GLU A 46 7.478 11.182 7.682 1.00 0.00 C ATOM 727 C GLU A 46 6.702 10.042 8.341 1.00 0.00 C ATOM 728 O GLU A 46 5.865 10.293 9.219 1.00 0.00 O ATOM 729 CB GLU A 46 8.599 11.640 8.623 1.00 0.00 C ATOM 730 CG GLU A 46 9.686 12.386 7.842 1.00 0.00 C ATOM 731 CD GLU A 46 11.047 12.455 8.536 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.153 12.260 9.767 1.00 0.00 O ATOM 733 OE2 GLU A 46 12.038 12.721 7.823 1.00 0.00 O ATOM 0 H GLU A 46 6.554 13.007 8.130 1.00 0.00 H new ATOM 0 HA GLU A 46 7.926 10.853 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.189 12.289 9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.033 10.777 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.813 11.903 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.341 13.402 7.649 1.00 0.00 H new ATOM 740 N VAL A 47 6.998 8.804 7.941 1.00 0.00 N ATOM 741 CA VAL A 47 6.291 7.594 8.352 1.00 0.00 C ATOM 742 C VAL A 47 7.290 6.486 8.715 1.00 0.00 C ATOM 743 O VAL A 47 8.506 6.650 8.563 1.00 0.00 O ATOM 744 CB VAL A 47 5.275 7.173 7.266 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.295 8.315 6.957 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.923 6.713 5.950 1.00 0.00 C ATOM 0 H VAL A 47 7.766 8.612 7.298 1.00 0.00 H new ATOM 0 HA VAL A 47 5.714 7.794 9.255 1.00 0.00 H new ATOM 0 HB VAL A 47 4.749 6.318 7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.591 7.993 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.749 8.581 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.849 9.183 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.145 6.434 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.520 7.525 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.564 5.853 6.141 1.00 0.00 H new ATOM 756 N LYS A 48 6.793 5.346 9.198 1.00 0.00 N ATOM 757 CA LYS A 48 7.574 4.163 9.546 1.00 0.00 C ATOM 758 C LYS A 48 7.132 2.994 8.686 1.00 0.00 C ATOM 759 O LYS A 48 6.054 3.030 8.111 1.00 0.00 O ATOM 760 CB LYS A 48 7.347 3.805 11.025 1.00 0.00 C ATOM 761 CG LYS A 48 8.127 4.697 11.996 1.00 0.00 C ATOM 762 CD LYS A 48 9.646 4.471 11.891 1.00 0.00 C ATOM 763 CE LYS A 48 10.408 5.096 13.062 1.00 0.00 C ATOM 764 NZ LYS A 48 10.197 6.555 13.157 1.00 0.00 N ATOM 0 H LYS A 48 5.795 5.219 9.363 1.00 0.00 H new ATOM 0 HA LYS A 48 8.630 4.372 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.283 3.880 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.634 2.766 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.901 5.743 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.800 4.496 13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.850 3.401 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.010 4.895 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.090 4.624 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.473 4.892 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.811 6.947 13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.429 6.999 12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.203 6.747 13.393 1.00 0.00 H new ATOM 778 N LYS A 49 7.894 1.907 8.739 1.00 0.00 N ATOM 779 CA LYS A 49 7.595 0.588 8.183 1.00 0.00 C ATOM 780 C LYS A 49 6.365 -0.108 8.791 1.00 0.00 C ATOM 781 O LYS A 49 6.206 -1.322 8.662 1.00 0.00 O ATOM 782 CB LYS A 49 8.851 -0.262 8.427 1.00 0.00 C ATOM 783 CG LYS A 49 9.030 -1.409 7.433 1.00 0.00 C ATOM 784 CD LYS A 49 10.155 -2.400 7.739 1.00 0.00 C ATOM 785 CE LYS A 49 10.676 -2.872 6.377 1.00 0.00 C ATOM 786 NZ LYS A 49 11.603 -4.016 6.466 1.00 0.00 N ATOM 0 H LYS A 49 8.802 1.923 9.204 1.00 0.00 H new ATOM 0 HA LYS A 49 7.344 0.705 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.728 0.384 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.809 -0.673 9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.093 -1.962 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.209 -0.982 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.947 -1.926 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.787 -3.239 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.829 -3.149 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.182 -2.042 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.216 -4.032 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.189 -3.923 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.059 -4.901 6.514 1.00 0.00 H new ATOM 800 N GLY A 50 5.523 0.603 9.522 1.00 0.00 N ATOM 801 CA GLY A 50 4.299 0.075 10.090 1.00 0.00 C ATOM 802 C GLY A 50 3.517 1.251 10.629 1.00 0.00 C ATOM 803 O GLY A 50 3.612 1.550 11.815 1.00 0.00 O ATOM 0 H GLY A 50 5.678 1.587 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.722 -0.458 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.519 -0.638 10.884 1.00 0.00 H new ATOM 807 N GLU A 51 2.853 1.990 9.746 1.00 0.00 N ATOM 808 CA GLU A 51 2.233 3.268 10.065 1.00 0.00 C ATOM 809 C GLU A 51 0.961 3.375 9.229 1.00 0.00 C ATOM 810 O GLU A 51 1.027 3.305 8.003 1.00 0.00 O ATOM 811 CB GLU A 51 3.255 4.386 9.771 1.00 0.00 C ATOM 812 CG GLU A 51 3.528 5.299 10.970 1.00 0.00 C ATOM 813 CD GLU A 51 2.763 6.609 10.861 1.00 0.00 C ATOM 814 OE1 GLU A 51 1.539 6.617 11.070 1.00 0.00 O ATOM 815 OE2 GLU A 51 3.425 7.631 10.554 1.00 0.00 O ATOM 0 H GLU A 51 2.729 1.711 8.773 1.00 0.00 H new ATOM 0 HA GLU A 51 1.954 3.359 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.193 3.934 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.891 4.990 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.245 4.787 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.596 5.505 11.035 1.00 0.00 H new ATOM 822 N VAL A 52 -0.196 3.432 9.883 1.00 0.00 N ATOM 823 CA VAL A 52 -1.542 3.479 9.324 1.00 0.00 C ATOM 824 C VAL A 52 -1.812 4.893 8.804 1.00 0.00 C ATOM 825 O VAL A 52 -2.593 5.685 9.336 1.00 0.00 O ATOM 826 CB VAL A 52 -2.563 2.864 10.315 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.141 2.980 11.776 1.00 0.00 C ATOM 828 CG2 VAL A 52 -4.025 3.317 10.178 1.00 0.00 C ATOM 0 H VAL A 52 -0.217 3.448 10.903 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.655 2.843 8.446 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.541 1.820 10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.903 2.529 12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.193 2.463 11.923 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.025 4.031 12.039 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.634 2.813 10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.087 4.395 10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.393 3.064 9.183 1.00 0.00 H new ATOM 838 N VAL A 53 -1.139 5.198 7.702 1.00 0.00 N ATOM 839 CA VAL A 53 -1.297 6.465 7.019 1.00 0.00 C ATOM 840 C VAL A 53 -2.248 6.345 5.829 1.00 0.00 C ATOM 841 O VAL A 53 -2.396 7.316 5.087 1.00 0.00 O ATOM 842 CB VAL A 53 0.074 7.062 6.669 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.805 7.486 7.947 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.951 6.104 5.856 1.00 0.00 C ATOM 0 H VAL A 53 -0.468 4.569 7.260 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.775 7.176 7.693 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.111 7.933 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.776 7.908 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.213 8.235 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.947 6.618 8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.907 6.581 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.122 5.193 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.449 5.856 4.921 1.00 0.00 H new ATOM 854 N ALA A 54 -2.907 5.199 5.624 1.00 0.00 N ATOM 855 CA ALA A 54 -3.857 5.075 4.531 1.00 0.00 C ATOM 856 C ALA A 54 -4.964 4.070 4.833 1.00 0.00 C ATOM 857 O ALA A 54 -5.084 3.058 4.145 1.00 0.00 O ATOM 858 CB ALA A 54 -3.093 4.728 3.256 1.00 0.00 C ATOM 0 H ALA A 54 -2.798 4.361 6.195 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.367 6.029 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.794 4.632 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.376 5.518 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.563 3.786 3.394 1.00 0.00 H new ATOM 864 N SER A 55 -5.738 4.297 5.892 1.00 0.00 N ATOM 865 CA SER A 55 -6.858 3.415 6.190 1.00 0.00 C ATOM 866 C SER A 55 -7.870 3.386 5.033 1.00 0.00 C ATOM 867 O SER A 55 -7.942 4.279 4.188 1.00 0.00 O ATOM 868 CB SER A 55 -7.551 3.894 7.457 1.00 0.00 C ATOM 869 OG SER A 55 -7.019 3.375 8.661 1.00 0.00 O ATOM 0 H SER A 55 -5.612 5.070 6.546 1.00 0.00 H new ATOM 0 HA SER A 55 -6.472 2.405 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.498 4.982 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.606 3.628 7.399 1.00 0.00 H new ATOM 0 HG SER A 55 -7.521 3.735 9.422 1.00 0.00 H new ATOM 875 N ILE A 56 -8.685 2.341 5.031 1.00 0.00 N ATOM 876 CA ILE A 56 -9.732 2.066 4.075 1.00 0.00 C ATOM 877 C ILE A 56 -10.911 1.666 4.956 1.00 0.00 C ATOM 878 O ILE A 56 -10.857 0.592 5.555 1.00 0.00 O ATOM 879 CB ILE A 56 -9.298 0.935 3.094 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.780 0.839 2.802 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.129 1.039 1.798 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.438 -0.287 1.822 1.00 0.00 C ATOM 0 H ILE A 56 -8.623 1.618 5.748 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.976 2.910 3.429 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.508 -0.004 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.432 1.788 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.244 0.677 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.829 0.250 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.187 0.931 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.959 2.010 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.361 -0.308 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.759 -1.242 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.950 -0.113 0.875 1.00 0.00 H new ATOM 894 N GLU A 57 -11.928 2.515 5.134 1.00 0.00 N ATOM 895 CA GLU A 57 -13.199 2.011 5.672 1.00 0.00 C ATOM 896 C GLU A 57 -13.888 1.212 4.560 1.00 0.00 C ATOM 897 O GLU A 57 -13.491 1.331 3.413 1.00 0.00 O ATOM 898 CB GLU A 57 -14.069 3.161 6.226 1.00 0.00 C ATOM 899 CG GLU A 57 -13.920 3.194 7.757 1.00 0.00 C ATOM 900 CD GLU A 57 -14.982 4.023 8.481 1.00 0.00 C ATOM 901 OE1 GLU A 57 -14.919 5.269 8.470 1.00 0.00 O ATOM 902 OE2 GLU A 57 -15.844 3.411 9.160 1.00 0.00 O ATOM 0 H GLU A 57 -11.904 3.513 4.925 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.027 1.353 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.758 4.113 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.113 3.012 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.955 2.172 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.936 3.592 8.005 1.00 0.00 H new ATOM 909 N SER A 58 -14.917 0.416 4.839 1.00 0.00 N ATOM 910 CA SER A 58 -15.834 -0.123 3.839 1.00 0.00 C ATOM 911 C SER A 58 -17.244 -0.093 4.430 1.00 0.00 C ATOM 912 O SER A 58 -17.447 0.230 5.604 1.00 0.00 O ATOM 913 CB SER A 58 -15.417 -1.532 3.396 1.00 0.00 C ATOM 914 OG SER A 58 -15.606 -2.504 4.409 1.00 0.00 O ATOM 0 H SER A 58 -15.141 0.121 5.789 1.00 0.00 H new ATOM 0 HA SER A 58 -15.808 0.487 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.992 -1.816 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.368 -1.520 3.102 1.00 0.00 H new ATOM 0 HG SER A 58 -15.327 -3.382 4.076 1.00 0.00 H new ATOM 920 N VAL A 59 -18.221 -0.508 3.635 1.00 0.00 N ATOM 921 CA VAL A 59 -19.644 -0.617 3.940 1.00 0.00 C ATOM 922 C VAL A 59 -19.999 -1.340 5.252 1.00 0.00 C ATOM 923 O VAL A 59 -21.114 -1.124 5.742 1.00 0.00 O ATOM 924 CB VAL A 59 -20.332 -1.270 2.723 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.572 -0.236 1.619 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.508 -2.425 2.132 1.00 0.00 C ATOM 0 H VAL A 59 -18.023 -0.802 2.679 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.013 0.393 4.120 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.279 -1.668 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.058 -0.717 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.211 0.561 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.618 0.185 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.037 -2.850 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.537 -2.051 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.365 -3.195 2.890 1.00 0.00 H new ATOM 936 N LYS A 60 -19.114 -2.162 5.852 1.00 0.00 N ATOM 937 CA LYS A 60 -19.175 -2.435 7.297 1.00 0.00 C ATOM 938 C LYS A 60 -17.870 -2.985 7.888 1.00 0.00 C ATOM 939 O LYS A 60 -17.893 -3.915 8.701 1.00 0.00 O ATOM 940 CB LYS A 60 -20.367 -3.342 7.679 1.00 0.00 C ATOM 941 CG LYS A 60 -20.829 -3.028 9.116 1.00 0.00 C ATOM 942 CD LYS A 60 -22.261 -3.479 9.423 1.00 0.00 C ATOM 943 CE LYS A 60 -23.306 -2.948 8.428 1.00 0.00 C ATOM 944 NZ LYS A 60 -23.201 -1.488 8.212 1.00 0.00 N ATOM 0 H LYS A 60 -18.358 -2.642 5.363 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.331 -1.455 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.190 -3.188 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.077 -4.390 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.149 -3.509 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.753 -1.954 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.296 -4.568 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.528 -3.149 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.187 -3.461 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -24.304 -3.186 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.137 -1.105 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.854 -1.033 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -22.538 -1.299 7.433 1.00 0.00 H new ATOM 958 N ALA A 61 -16.722 -2.449 7.487 1.00 0.00 N ATOM 959 CA ALA A 61 -15.451 -2.807 8.099 1.00 0.00 C ATOM 960 C ALA A 61 -14.468 -1.655 7.923 1.00 0.00 C ATOM 961 O ALA A 61 -14.842 -0.584 7.442 1.00 0.00 O ATOM 962 CB ALA A 61 -14.919 -4.101 7.473 1.00 0.00 C ATOM 0 H ALA A 61 -16.648 -1.762 6.737 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.585 -2.985 9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.967 -4.364 7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.636 -4.906 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.775 -3.955 6.403 1.00 0.00 H new ATOM 968 N ALA A 62 -13.209 -1.891 8.291 1.00 0.00 N ATOM 969 CA ALA A 62 -12.075 -1.123 7.830 1.00 0.00 C ATOM 970 C ALA A 62 -10.906 -2.076 7.575 1.00 0.00 C ATOM 971 O ALA A 62 -10.957 -3.259 7.929 1.00 0.00 O ATOM 972 CB ALA A 62 -11.719 -0.033 8.851 1.00 0.00 C ATOM 0 H ALA A 62 -12.954 -2.641 8.933 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.316 -0.615 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.863 0.538 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.571 0.634 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.470 -0.496 9.806 1.00 0.00 H new ATOM 978 N ALA A 63 -9.850 -1.552 6.971 1.00 0.00 N ATOM 979 CA ALA A 63 -8.509 -2.089 6.945 1.00 0.00 C ATOM 980 C ALA A 63 -7.599 -0.890 7.152 1.00 0.00 C ATOM 981 O ALA A 63 -7.766 0.138 6.500 1.00 0.00 O ATOM 982 CB ALA A 63 -8.207 -2.762 5.605 1.00 0.00 C ATOM 0 H ALA A 63 -9.919 -0.678 6.450 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.369 -2.853 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.191 -3.156 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.911 -3.578 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.304 -2.032 4.801 1.00 0.00 H new ATOM 988 N ASP A 64 -6.647 -1.018 8.056 1.00 0.00 N ATOM 989 CA ASP A 64 -5.510 -0.125 8.158 1.00 0.00 C ATOM 990 C ASP A 64 -4.564 -0.567 7.037 1.00 0.00 C ATOM 991 O ASP A 64 -4.447 -1.769 6.766 1.00 0.00 O ATOM 992 CB ASP A 64 -4.826 -0.295 9.536 1.00 0.00 C ATOM 993 CG ASP A 64 -5.529 -1.221 10.543 1.00 0.00 C ATOM 994 OD1 ASP A 64 -5.361 -2.464 10.472 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.251 -0.725 11.440 1.00 0.00 O ATOM 0 H ASP A 64 -6.643 -1.761 8.754 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.794 0.923 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.817 -0.674 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.726 0.690 9.991 1.00 0.00 H new ATOM 1000 N VAL A 65 -3.877 0.379 6.397 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.797 0.078 5.466 1.00 0.00 C ATOM 1002 C VAL A 65 -1.535 0.568 6.159 1.00 0.00 C ATOM 1003 O VAL A 65 -1.424 1.770 6.417 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.004 0.757 4.113 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.853 0.459 3.143 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.311 0.253 3.498 1.00 0.00 C ATOM 0 H VAL A 65 -4.056 1.377 6.512 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.746 -0.987 5.237 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.039 1.834 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.039 0.960 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.917 0.821 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.785 -0.616 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.467 0.732 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.257 -0.827 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.142 0.494 4.161 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.624 -0.328 6.526 1.00 0.00 N ATOM 1017 CA TYR A 66 0.515 0.003 7.364 1.00 0.00 C ATOM 1018 C TYR A 66 1.753 0.145 6.482 1.00 0.00 C ATOM 1019 O TYR A 66 2.301 -0.867 6.043 1.00 0.00 O ATOM 1020 CB TYR A 66 0.775 -1.102 8.389 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.357 -1.426 9.329 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.487 -0.727 10.542 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.223 -2.491 9.032 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.454 -1.132 11.483 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.193 -2.901 9.957 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.302 -2.228 11.194 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.268 -2.611 12.071 1.00 0.00 O ATOM 0 H TYR A 66 -0.659 -1.308 6.247 1.00 0.00 H new ATOM 0 HA TYR A 66 0.302 0.934 7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.042 -2.011 7.850 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.643 -0.818 8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.152 0.118 10.752 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.141 -2.999 8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.548 -0.608 12.422 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.852 -3.725 9.726 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.039 -2.959 11.577 1.00 0.00 H new ATOM 1037 N ALA A 67 2.211 1.383 6.281 1.00 0.00 N ATOM 1038 CA ALA A 67 3.294 1.740 5.362 1.00 0.00 C ATOM 1039 C ALA A 67 4.438 0.702 5.323 1.00 0.00 C ATOM 1040 O ALA A 67 5.004 0.390 6.370 1.00 0.00 O ATOM 1041 CB ALA A 67 3.855 3.108 5.753 1.00 0.00 C ATOM 0 H ALA A 67 1.825 2.191 6.770 1.00 0.00 H new ATOM 0 HA ALA A 67 2.865 1.765 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.662 3.379 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.064 3.856 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.239 3.066 6.772 1.00 0.00 H new ATOM 1047 N PRO A 68 4.811 0.172 4.145 1.00 0.00 N ATOM 1048 CA PRO A 68 5.700 -0.985 4.032 1.00 0.00 C ATOM 1049 C PRO A 68 7.167 -0.716 4.379 1.00 0.00 C ATOM 1050 O PRO A 68 7.902 -1.661 4.638 1.00 0.00 O ATOM 1051 CB PRO A 68 5.593 -1.412 2.569 1.00 0.00 C ATOM 1052 CG PRO A 68 5.228 -0.125 1.835 1.00 0.00 C ATOM 1053 CD PRO A 68 4.290 0.534 2.837 1.00 0.00 C ATOM 0 HA PRO A 68 5.391 -1.742 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.533 -1.827 2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.831 -2.180 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.103 0.490 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.739 -0.321 0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.272 1.616 2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.267 0.181 2.709 1.00 0.00 H new ATOM 1061 N LEU A 69 7.608 0.538 4.313 1.00 0.00 N ATOM 1062 CA LEU A 69 8.951 1.064 4.544 1.00 0.00 C ATOM 1063 C LEU A 69 8.843 2.310 5.411 1.00 0.00 C ATOM 1064 O LEU A 69 7.880 3.071 5.260 1.00 0.00 O ATOM 1065 CB LEU A 69 9.635 1.468 3.224 1.00 0.00 C ATOM 1066 CG LEU A 69 10.219 0.363 2.339 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.897 -0.715 3.170 1.00 0.00 C ATOM 1068 CD2 LEU A 69 9.222 -0.283 1.388 1.00 0.00 C ATOM 0 H LEU A 69 6.964 1.291 4.070 1.00 0.00 H new ATOM 0 HA LEU A 69 9.542 0.285 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.908 2.021 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.441 2.160 3.466 1.00 0.00 H new ATOM 0 HG LEU A 69 10.954 0.875 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.300 -1.483 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.707 -0.272 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.170 -1.163 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.724 -1.053 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.412 -0.734 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.815 0.474 0.718 1.00 0.00 H new ATOM 1080 N SER A 70 9.853 2.578 6.236 1.00 0.00 N ATOM 1081 CA SER A 70 10.072 3.926 6.737 1.00 0.00 C ATOM 1082 C SER A 70 10.470 4.824 5.556 1.00 0.00 C ATOM 1083 O SER A 70 11.055 4.363 4.571 1.00 0.00 O ATOM 1084 CB SER A 70 11.156 3.902 7.811 1.00 0.00 C ATOM 1085 OG SER A 70 10.848 3.011 8.874 1.00 0.00 O ATOM 0 H SER A 70 10.524 1.885 6.567 1.00 0.00 H new ATOM 0 HA SER A 70 9.164 4.323 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.104 3.610 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.289 4.907 8.211 1.00 0.00 H new ATOM 0 HG SER A 70 11.571 3.029 9.535 1.00 0.00 H new ATOM 1091 N GLY A 71 10.132 6.111 5.614 1.00 0.00 N ATOM 1092 CA GLY A 71 10.299 7.019 4.488 1.00 0.00 C ATOM 1093 C GLY A 71 9.453 8.269 4.699 1.00 0.00 C ATOM 1094 O GLY A 71 8.939 8.497 5.799 1.00 0.00 O ATOM 0 H GLY A 71 9.735 6.551 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.349 7.293 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.006 6.523 3.563 1.00 0.00 H new ATOM 1098 N LYS A 72 9.264 9.066 3.647 1.00 0.00 N ATOM 1099 CA LYS A 72 8.403 10.249 3.678 1.00 0.00 C ATOM 1100 C LYS A 72 7.461 10.221 2.483 1.00 0.00 C ATOM 1101 O LYS A 72 7.890 9.927 1.370 1.00 0.00 O ATOM 1102 CB LYS A 72 9.270 11.517 3.747 1.00 0.00 C ATOM 1103 CG LYS A 72 8.510 12.790 3.343 1.00 0.00 C ATOM 1104 CD LYS A 72 9.251 14.095 3.629 1.00 0.00 C ATOM 1105 CE LYS A 72 9.427 14.335 5.131 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.713 15.748 5.439 1.00 0.00 N ATOM 0 H LYS A 72 9.708 8.908 2.742 1.00 0.00 H new ATOM 0 HA LYS A 72 7.778 10.251 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.651 11.635 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.135 11.395 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.287 12.741 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.555 12.808 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.229 14.070 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.702 14.928 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.522 14.027 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.240 13.712 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.825 15.864 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.590 16.037 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.926 16.342 5.107 1.00 0.00 H new ATOM 1120 N ILE A 73 6.182 10.510 2.721 1.00 0.00 N ATOM 1121 CA ILE A 73 5.147 10.630 1.697 1.00 0.00 C ATOM 1122 C ILE A 73 5.536 11.741 0.732 1.00 0.00 C ATOM 1123 O ILE A 73 6.092 12.742 1.175 1.00 0.00 O ATOM 1124 CB ILE A 73 3.785 10.911 2.358 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.440 9.956 3.528 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.646 10.885 1.321 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.757 8.477 3.289 1.00 0.00 C ATOM 0 H ILE A 73 5.827 10.672 3.663 1.00 0.00 H new ATOM 0 HA ILE A 73 5.058 9.698 1.140 1.00 0.00 H new ATOM 0 HB ILE A 73 3.880 11.910 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.981 10.286 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.377 10.050 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.697 11.087 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.827 11.646 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.607 9.904 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.477 7.898 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.196 8.119 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.824 8.359 3.102 1.00 0.00 H new ATOM 1139 N VAL A 74 5.228 11.566 -0.557 1.00 0.00 N ATOM 1140 CA VAL A 74 5.436 12.591 -1.573 1.00 0.00 C ATOM 1141 C VAL A 74 4.301 12.671 -2.606 1.00 0.00 C ATOM 1142 O VAL A 74 4.289 13.613 -3.393 1.00 0.00 O ATOM 1143 CB VAL A 74 6.797 12.386 -2.290 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.996 12.462 -1.331 1.00 0.00 C ATOM 1145 CG2 VAL A 74 6.859 11.060 -3.070 1.00 0.00 C ATOM 0 H VAL A 74 4.825 10.703 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 74 5.441 13.543 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 74 6.866 13.214 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.919 12.311 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.018 13.441 -0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.902 11.688 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.832 10.967 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.713 10.227 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.076 11.047 -3.828 1.00 0.00 H new ATOM 1155 N GLU A 75 3.334 11.740 -2.632 1.00 0.00 N ATOM 1156 CA GLU A 75 2.145 11.870 -3.480 1.00 0.00 C ATOM 1157 C GLU A 75 0.999 11.086 -2.828 1.00 0.00 C ATOM 1158 O GLU A 75 1.268 10.076 -2.171 1.00 0.00 O ATOM 1159 CB GLU A 75 2.495 11.315 -4.874 1.00 0.00 C ATOM 1160 CG GLU A 75 1.706 11.925 -6.036 1.00 0.00 C ATOM 1161 CD GLU A 75 2.511 11.827 -7.340 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.404 12.677 -7.554 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.267 10.891 -8.147 1.00 0.00 O ATOM 0 H GLU A 75 3.356 10.887 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 75 1.830 12.908 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.558 11.474 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.330 10.237 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.754 11.407 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.477 12.969 -5.820 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.266 11.479 -3.014 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.421 10.708 -2.529 1.00 0.00 C ATOM 1172 C VAL A 76 -2.452 10.542 -3.646 1.00 0.00 C ATOM 1173 O VAL A 76 -2.357 11.208 -4.680 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.031 11.301 -1.241 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.957 11.622 -0.187 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.875 12.548 -1.512 1.00 0.00 C ATOM 0 H VAL A 76 -0.520 12.337 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.068 9.715 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.687 10.526 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.432 12.037 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.424 10.709 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.253 12.348 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.280 12.924 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.253 13.316 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.694 12.294 -2.184 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.434 9.661 -3.432 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.428 9.287 -4.424 1.00 0.00 C ATOM 1188 C ASN A 77 -5.795 9.646 -3.871 1.00 0.00 C ATOM 1189 O ASN A 77 -6.577 8.766 -3.507 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.322 7.788 -4.775 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.922 7.442 -6.138 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.878 8.241 -7.059 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.491 6.258 -6.308 1.00 0.00 N ATOM 0 H ASN A 77 -3.557 9.181 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.260 9.829 -5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.273 7.492 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.827 7.205 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.895 6.011 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.526 5.593 -5.535 1.00 0.00 H new ATOM 1200 N GLU A 78 -6.124 10.942 -3.847 1.00 0.00 N ATOM 1201 CA GLU A 78 -7.484 11.398 -3.567 1.00 0.00 C ATOM 1202 C GLU A 78 -8.496 10.871 -4.602 1.00 0.00 C ATOM 1203 O GLU A 78 -9.697 11.100 -4.479 1.00 0.00 O ATOM 1204 CB GLU A 78 -7.558 12.936 -3.451 1.00 0.00 C ATOM 1205 CG GLU A 78 -7.789 13.366 -1.991 1.00 0.00 C ATOM 1206 CD GLU A 78 -8.520 14.707 -1.813 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -8.723 15.473 -2.785 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -8.927 15.005 -0.664 1.00 0.00 O ATOM 0 H GLU A 78 -5.459 11.696 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.761 10.979 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.633 13.378 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.366 13.314 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.362 12.588 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.823 13.427 -1.490 1.00 0.00 H new ATOM 1215 N LYS A 79 -8.050 10.112 -5.606 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.923 9.282 -6.409 1.00 0.00 C ATOM 1217 C LYS A 79 -9.722 8.347 -5.519 1.00 0.00 C ATOM 1218 O LYS A 79 -10.921 8.248 -5.747 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.119 8.512 -7.458 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.268 9.392 -8.377 1.00 0.00 C ATOM 1221 CD LYS A 79 -8.068 10.503 -9.030 1.00 0.00 C ATOM 1222 CE LYS A 79 -9.261 9.970 -9.817 1.00 0.00 C ATOM 1223 NZ LYS A 79 -8.897 9.096 -10.947 1.00 0.00 N ATOM 0 H LYS A 79 -7.068 10.062 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.628 9.921 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.467 7.803 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.808 7.929 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.451 9.828 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.817 8.772 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.420 11.193 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.420 11.071 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.911 9.417 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.838 10.813 -10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.760 8.776 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.301 9.624 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.372 8.271 -10.593 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.131 7.697 -4.505 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.876 6.758 -3.690 1.00 0.00 C ATOM 1239 C LEU A 80 -10.948 7.416 -2.812 1.00 0.00 C ATOM 1240 O LEU A 80 -11.778 6.703 -2.261 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.886 5.976 -2.838 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.729 5.329 -3.624 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -6.924 4.540 -2.640 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -8.185 4.457 -4.793 1.00 0.00 C ATOM 0 H LEU A 80 -8.152 7.810 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.424 6.096 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.467 6.645 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.426 5.194 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.136 6.116 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.090 4.062 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.541 5.206 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.554 3.777 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.314 4.038 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.813 3.648 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.754 5.063 -5.498 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.984 8.748 -2.705 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.100 9.453 -2.065 1.00 0.00 C ATOM 1258 C ASP A 81 -13.392 9.330 -2.885 1.00 0.00 C ATOM 1259 O ASP A 81 -14.484 9.449 -2.337 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.737 10.933 -1.892 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.844 11.760 -1.245 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -13.357 11.401 -0.170 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -13.160 12.854 -1.773 1.00 0.00 O ATOM 0 H ASP A 81 -10.249 9.363 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.277 8.994 -1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.835 11.009 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.501 11.357 -2.868 1.00 0.00 H new ATOM 1268 N THR A 82 -13.289 9.093 -4.198 1.00 0.00 N ATOM 1269 CA THR A 82 -14.432 9.120 -5.111 1.00 0.00 C ATOM 1270 C THR A 82 -14.519 7.859 -5.983 1.00 0.00 C ATOM 1271 O THR A 82 -15.602 7.500 -6.449 1.00 0.00 O ATOM 1272 CB THR A 82 -14.392 10.426 -5.921 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.236 10.540 -6.726 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.398 11.664 -5.030 1.00 0.00 C ATOM 0 H THR A 82 -12.404 8.876 -4.657 1.00 0.00 H new ATOM 0 HA THR A 82 -15.355 9.108 -4.532 1.00 0.00 H new ATOM 0 HB THR A 82 -15.289 10.377 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.263 11.386 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.369 12.559 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.304 11.672 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.525 11.647 -4.377 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.411 7.128 -6.109 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.276 5.777 -6.628 1.00 0.00 C ATOM 1284 C GLU A 83 -12.636 4.888 -5.540 1.00 0.00 C ATOM 1285 O GLU A 83 -11.578 4.299 -5.765 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.407 5.848 -7.903 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.111 6.363 -9.162 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.895 5.290 -9.925 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.407 4.332 -9.305 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.950 5.398 -11.175 1.00 0.00 O ATOM 0 H GLU A 83 -12.507 7.505 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.241 5.341 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.550 6.490 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.017 4.852 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.793 7.165 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.367 6.797 -9.829 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.244 4.730 -4.350 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.763 3.768 -3.366 1.00 0.00 C ATOM 1299 C PRO A 84 -12.985 2.346 -3.887 1.00 0.00 C ATOM 1300 O PRO A 84 -12.337 1.412 -3.421 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.538 4.042 -2.074 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.754 4.871 -2.498 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.521 5.278 -3.950 1.00 0.00 C ATOM 0 HA PRO A 84 -11.694 3.866 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.844 3.112 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.924 4.584 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.671 4.290 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.864 5.750 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.319 4.899 -4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.522 6.363 -4.050 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.874 2.176 -4.871 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.173 0.932 -5.559 1.00 0.00 C ATOM 1313 C GLU A 85 -13.093 0.569 -6.595 1.00 0.00 C ATOM 1314 O GLU A 85 -13.094 -0.545 -7.109 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.550 1.080 -6.233 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.259 -0.243 -6.561 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.552 -0.018 -7.359 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.473 0.688 -6.886 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -17.658 -0.486 -8.522 1.00 0.00 O ATOM 0 H GLU A 85 -14.433 2.953 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.188 0.117 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.195 1.668 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.427 1.647 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.587 -0.883 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.491 -0.770 -5.635 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.156 1.457 -6.950 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.115 1.146 -7.917 1.00 0.00 C ATOM 1328 C LEU A 86 -10.176 0.059 -7.399 1.00 0.00 C ATOM 1329 O LEU A 86 -9.576 -0.676 -8.180 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.280 2.415 -8.208 1.00 0.00 C ATOM 1331 CG LEU A 86 -9.990 2.727 -9.681 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.606 1.437 -10.397 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -11.098 3.359 -10.505 1.00 0.00 C ATOM 0 H LEU A 86 -12.104 2.404 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.603 0.788 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.799 3.270 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.328 2.322 -7.686 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.201 3.477 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.398 1.651 -11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.717 1.012 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.428 0.724 -10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.747 3.521 -11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.963 2.696 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.381 4.314 -10.063 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.026 -0.044 -6.082 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.110 -0.982 -5.458 1.00 0.00 C ATOM 1347 C ILE A 87 -9.584 -2.425 -5.710 1.00 0.00 C ATOM 1348 O ILE A 87 -8.774 -3.341 -5.660 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.913 -0.643 -3.958 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.870 0.878 -3.652 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -7.614 -1.295 -3.473 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.944 1.207 -2.157 1.00 0.00 C ATOM 0 H ILE A 87 -10.544 0.528 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.123 -0.894 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.783 -1.033 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.951 1.296 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.699 1.366 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.463 -1.064 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.679 -2.375 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.775 -0.910 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.909 2.288 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.876 0.819 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.100 0.748 -1.641 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.860 -2.646 -6.051 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.350 -3.906 -6.608 1.00 0.00 C ATOM 1366 C ASN A 88 -10.721 -4.143 -7.965 1.00 0.00 C ATOM 1367 O ASN A 88 -10.202 -5.214 -8.270 1.00 0.00 O ATOM 1368 CB ASN A 88 -12.860 -3.845 -6.858 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.632 -4.183 -5.603 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -13.960 -5.338 -5.353 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.822 -3.215 -4.733 1.00 0.00 N ATOM 0 H ASN A 88 -11.590 -1.941 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.102 -4.691 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.135 -2.848 -7.201 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.129 -4.541 -7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.250 -3.418 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.542 -2.261 -4.962 1.00 0.00 H new ATOM 1378 N LYS A 89 -10.928 -3.145 -8.812 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.787 -3.153 -10.246 1.00 0.00 C ATOM 1380 C LYS A 89 -9.339 -3.426 -10.592 1.00 0.00 C ATOM 1381 O LYS A 89 -9.058 -4.359 -11.339 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.278 -1.786 -10.740 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.293 -1.882 -11.877 1.00 0.00 C ATOM 1384 CD LYS A 89 -11.633 -1.821 -13.255 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.680 -1.906 -14.372 1.00 0.00 C ATOM 1386 NZ LYS A 89 -13.761 -0.910 -14.205 1.00 0.00 N ATOM 0 H LYS A 89 -11.226 -2.230 -8.474 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.374 -3.933 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.727 -1.246 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.422 -1.200 -11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.850 -2.814 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.014 -1.070 -11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.069 -0.893 -13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.920 -2.639 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.194 -1.753 -15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.111 -2.907 -14.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.308 -0.840 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.389 -1.206 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.347 0.017 -13.979 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.442 -2.622 -10.027 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.010 -2.753 -10.191 1.00 0.00 C ATOM 1402 C ASP A 90 -6.368 -2.231 -8.909 1.00 0.00 C ATOM 1403 O ASP A 90 -5.998 -1.055 -8.855 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.534 -1.972 -11.424 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.556 -2.813 -12.693 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -6.064 -3.966 -12.667 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -6.975 -2.248 -13.728 1.00 0.00 O ATOM 0 H ASP A 90 -8.706 -1.841 -9.426 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.725 -3.792 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.168 -1.096 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.521 -1.608 -11.251 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.220 -3.074 -7.869 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.596 -2.669 -6.614 1.00 0.00 C ATOM 1414 C PRO A 91 -4.160 -2.179 -6.807 1.00 0.00 C ATOM 1415 O PRO A 91 -3.639 -1.439 -5.977 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.605 -3.905 -5.707 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.288 -5.031 -6.477 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.658 -4.461 -7.843 1.00 0.00 C ATOM 0 HA PRO A 91 -6.148 -1.834 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.588 -4.188 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.138 -3.696 -4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.623 -5.888 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.176 -5.379 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.178 -5.030 -8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.733 -4.527 -8.008 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.518 -2.581 -7.903 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.086 -2.544 -8.164 1.00 0.00 C ATOM 1428 C GLU A 92 -1.791 -1.831 -9.506 1.00 0.00 C ATOM 1429 O GLU A 92 -0.642 -1.780 -9.960 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.492 -3.968 -7.975 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.488 -5.152 -8.092 1.00 0.00 C ATOM 1432 CD GLU A 92 -2.000 -6.503 -7.557 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -1.701 -6.611 -6.341 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.108 -7.503 -8.311 1.00 0.00 O ATOM 0 H GLU A 92 -4.031 -2.972 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.558 -1.926 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.704 -4.110 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.020 -4.014 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.402 -4.884 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.752 -5.275 -9.142 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.825 -1.214 -10.101 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.741 -0.227 -11.170 1.00 0.00 C ATOM 1443 C GLY A 93 -3.266 1.120 -10.671 1.00 0.00 C ATOM 1444 O GLY A 93 -2.490 2.014 -10.326 1.00 0.00 O ATOM 0 H GLY A 93 -3.789 -1.406 -9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.708 -0.125 -11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.322 -0.558 -12.030 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.590 1.284 -10.645 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.236 2.569 -10.391 1.00 0.00 C ATOM 1450 C GLU A 94 -5.589 2.785 -8.916 1.00 0.00 C ATOM 1451 O GLU A 94 -5.663 3.929 -8.463 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.483 2.651 -11.266 1.00 0.00 C ATOM 1453 CG GLU A 94 -6.115 2.828 -12.723 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.676 4.263 -13.034 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -6.514 5.182 -12.888 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.482 4.464 -13.373 1.00 0.00 O ATOM 0 H GLU A 94 -5.248 0.521 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.533 3.364 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.076 1.745 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.105 3.485 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.310 2.139 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.970 2.567 -13.347 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.776 1.711 -8.150 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.236 1.749 -6.770 1.00 0.00 C ATOM 1465 C GLY A 95 -5.098 1.868 -5.754 1.00 0.00 C ATOM 1466 O GLY A 95 -5.185 1.304 -4.665 1.00 0.00 O ATOM 0 H GLY A 95 -5.605 0.763 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.915 2.592 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.808 0.845 -6.560 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.998 2.543 -6.109 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.916 2.846 -5.172 1.00 0.00 C ATOM 1472 C TRP A 96 -3.432 3.884 -4.184 1.00 0.00 C ATOM 1473 O TRP A 96 -4.389 4.577 -4.507 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.689 3.380 -5.919 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.881 4.627 -6.734 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.473 4.681 -7.950 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.507 6.007 -6.413 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.529 5.987 -8.384 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.954 6.844 -7.476 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.882 6.650 -5.318 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.809 8.234 -7.446 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.756 8.058 -5.269 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -1.200 8.842 -6.345 1.00 0.00 C ATOM 0 H TRP A 96 -3.836 2.893 -7.053 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.611 1.942 -4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.903 3.570 -5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.326 2.594 -6.581 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.846 3.828 -8.498 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.945 6.281 -9.268 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.494 6.055 -4.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -2.166 8.835 -8.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.318 8.530 -4.402 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.071 9.914 -6.322 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.822 4.031 -3.008 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.331 4.992 -2.024 1.00 0.00 C ATOM 1496 C LEU A 97 -2.365 6.170 -1.929 1.00 0.00 C ATOM 1497 O LEU A 97 -2.791 7.321 -1.959 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.543 4.355 -0.637 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.253 2.982 -0.568 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.344 2.010 0.188 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.559 2.975 0.236 1.00 0.00 C ATOM 0 H LEU A 97 -1.994 3.512 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.308 5.336 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.566 4.250 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.115 5.057 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.467 2.718 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.825 1.034 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.395 1.914 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.163 2.389 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.985 1.972 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.355 3.276 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.266 3.673 -0.213 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.055 5.915 -1.827 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.060 6.978 -1.729 1.00 0.00 C ATOM 1515 C PHE A 98 1.303 6.515 -2.245 1.00 0.00 C ATOM 1516 O PHE A 98 1.516 5.330 -2.516 1.00 0.00 O ATOM 1517 CB PHE A 98 0.018 7.493 -0.283 1.00 0.00 C ATOM 1518 CG PHE A 98 0.521 6.476 0.719 1.00 0.00 C ATOM 1519 CD1 PHE A 98 -0.359 5.542 1.289 1.00 0.00 C ATOM 1520 CD2 PHE A 98 1.874 6.461 1.084 1.00 0.00 C ATOM 1521 CE1 PHE A 98 0.110 4.590 2.210 1.00 0.00 C ATOM 1522 CE2 PHE A 98 2.321 5.557 2.061 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.449 4.612 2.618 1.00 0.00 C ATOM 0 H PHE A 98 -0.662 4.974 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.370 7.806 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.672 8.365 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.973 7.828 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.404 5.555 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.570 7.142 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.562 3.842 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.350 5.590 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.806 3.908 3.355 1.00 0.00 H new ATOM 1533 N LYS A 99 2.235 7.458 -2.374 1.00 0.00 N ATOM 1534 CA LYS A 99 3.606 7.238 -2.816 1.00 0.00 C ATOM 1535 C LYS A 99 4.531 7.940 -1.846 1.00 0.00 C ATOM 1536 O LYS A 99 4.149 8.938 -1.223 1.00 0.00 O ATOM 1537 CB LYS A 99 3.843 7.793 -4.229 1.00 0.00 C ATOM 1538 CG LYS A 99 2.788 7.321 -5.238 1.00 0.00 C ATOM 1539 CD LYS A 99 3.020 7.839 -6.658 1.00 0.00 C ATOM 1540 CE LYS A 99 1.774 7.554 -7.498 1.00 0.00 C ATOM 1541 NZ LYS A 99 1.789 8.275 -8.783 1.00 0.00 N ATOM 0 H LYS A 99 2.044 8.438 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 99 3.799 6.165 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.841 8.882 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.831 7.487 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.777 6.231 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.804 7.644 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.226 8.909 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.891 7.354 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.702 6.483 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.886 7.839 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.816 8.379 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.210 9.216 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.352 7.740 -9.475 1.00 0.00 H new ATOM 1555 N MET A 100 5.749 7.436 -1.716 1.00 0.00 N ATOM 1556 CA MET A 100 6.700 7.946 -0.752 1.00 0.00 C ATOM 1557 C MET A 100 8.123 7.668 -1.187 1.00 0.00 C ATOM 1558 O MET A 100 8.378 6.630 -1.796 1.00 0.00 O ATOM 1559 CB MET A 100 6.456 7.305 0.608 1.00 0.00 C ATOM 1560 CG MET A 100 6.006 5.849 0.666 1.00 0.00 C ATOM 1561 SD MET A 100 5.876 5.412 2.419 1.00 0.00 S ATOM 1562 CE MET A 100 7.575 5.616 3.024 1.00 0.00 C ATOM 0 H MET A 100 6.102 6.662 -2.278 1.00 0.00 H new ATOM 0 HA MET A 100 6.562 9.025 -0.684 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.379 7.388 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.705 7.903 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.048 5.720 0.163 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.722 5.202 0.158 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.676 5.131 3.995 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.270 5.162 2.317 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.801 6.678 3.124 1.00 0.00 H new ATOM 1572 N GLU A 101 9.042 8.562 -0.824 1.00 0.00 N ATOM 1573 CA GLU A 101 10.467 8.327 -0.963 1.00 0.00 C ATOM 1574 C GLU A 101 10.854 7.180 -0.022 1.00 0.00 C ATOM 1575 O GLU A 101 10.451 7.169 1.149 1.00 0.00 O ATOM 1576 CB GLU A 101 11.282 9.600 -0.667 1.00 0.00 C ATOM 1577 CG GLU A 101 12.695 9.451 -1.261 1.00 0.00 C ATOM 1578 CD GLU A 101 13.707 10.486 -0.774 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.440 11.710 -0.819 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.820 10.085 -0.353 1.00 0.00 O ATOM 0 H GLU A 101 8.811 9.472 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 101 10.696 8.053 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.785 10.471 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.343 9.764 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.071 8.456 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.626 9.514 -2.347 1.00 0.00 H new ATOM 1587 N ILE A 102 11.627 6.220 -0.532 1.00 0.00 N ATOM 1588 CA ILE A 102 12.332 5.235 0.260 1.00 0.00 C ATOM 1589 C ILE A 102 13.589 5.903 0.816 1.00 0.00 C ATOM 1590 O ILE A 102 14.556 6.143 0.092 1.00 0.00 O ATOM 1591 CB ILE A 102 12.622 3.949 -0.547 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.274 4.163 -1.930 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.294 3.200 -0.764 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.938 2.921 -2.515 1.00 0.00 C ATOM 0 H ILE A 102 11.778 6.111 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 102 11.715 4.898 1.093 1.00 0.00 H new ATOM 0 HB ILE A 102 13.346 3.391 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.512 4.514 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.020 4.954 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.479 2.289 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.859 2.943 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.603 3.837 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.369 3.162 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.725 2.579 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.195 2.133 -2.634 1.00 0.00 H new ATOM 1606 N SER A 103 13.562 6.261 2.096 1.00 0.00 N ATOM 1607 CA SER A 103 14.737 6.808 2.752 1.00 0.00 C ATOM 1608 C SER A 103 15.789 5.727 3.031 1.00 0.00 C ATOM 1609 O SER A 103 16.951 6.067 3.257 1.00 0.00 O ATOM 1610 CB SER A 103 14.317 7.496 4.051 1.00 0.00 C ATOM 1611 OG SER A 103 13.373 8.524 3.793 1.00 0.00 O ATOM 0 H SER A 103 12.740 6.181 2.695 1.00 0.00 H new ATOM 0 HA SER A 103 15.196 7.536 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.886 6.763 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.193 7.916 4.545 1.00 0.00 H new ATOM 0 HG SER A 103 13.115 8.951 4.637 1.00 0.00 H new ATOM 1617 N ASP A 104 15.424 4.440 3.000 1.00 0.00 N ATOM 1618 CA ASP A 104 16.205 3.330 3.541 1.00 0.00 C ATOM 1619 C ASP A 104 15.999 2.132 2.613 1.00 0.00 C ATOM 1620 O ASP A 104 15.175 1.254 2.879 1.00 0.00 O ATOM 1621 CB ASP A 104 15.766 2.995 4.983 1.00 0.00 C ATOM 1622 CG ASP A 104 15.806 4.191 5.931 1.00 0.00 C ATOM 1623 OD1 ASP A 104 14.791 4.911 6.051 1.00 0.00 O ATOM 1624 OD2 ASP A 104 16.861 4.461 6.548 1.00 0.00 O ATOM 0 H ASP A 104 14.545 4.136 2.582 1.00 0.00 H new ATOM 0 HA ASP A 104 17.261 3.596 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.753 2.594 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.411 2.209 5.376 1.00 0.00 H new ATOM 1629 N GLU A 105 16.694 2.094 1.473 1.00 0.00 N ATOM 1630 CA GLU A 105 16.453 1.051 0.465 1.00 0.00 C ATOM 1631 C GLU A 105 16.888 -0.348 0.923 1.00 0.00 C ATOM 1632 O GLU A 105 16.559 -1.346 0.289 1.00 0.00 O ATOM 1633 CB GLU A 105 17.050 1.443 -0.895 1.00 0.00 C ATOM 1634 CG GLU A 105 18.421 0.845 -1.252 1.00 0.00 C ATOM 1635 CD GLU A 105 18.887 1.280 -2.643 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.383 0.718 -3.647 1.00 0.00 O ATOM 1637 OE2 GLU A 105 19.770 2.162 -2.748 1.00 0.00 O ATOM 0 H GLU A 105 17.421 2.764 1.224 1.00 0.00 H new ATOM 0 HA GLU A 105 15.373 0.982 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.342 1.155 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.135 2.529 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.157 1.154 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.365 -0.243 -1.211 1.00 0.00 H new ATOM 1644 N GLY A 106 17.604 -0.431 2.037 1.00 0.00 N ATOM 1645 CA GLY A 106 18.016 -1.686 2.652 1.00 0.00 C ATOM 1646 C GLY A 106 16.917 -2.311 3.512 1.00 0.00 C ATOM 1647 O GLY A 106 17.122 -3.409 4.038 1.00 0.00 O ATOM 0 H GLY A 106 17.922 0.392 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.306 -2.390 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.898 -1.512 3.268 1.00 0.00 H new ATOM 1651 N GLU A 107 15.777 -1.635 3.695 1.00 0.00 N ATOM 1652 CA GLU A 107 14.643 -2.165 4.443 1.00 0.00 C ATOM 1653 C GLU A 107 13.781 -3.112 3.595 1.00 0.00 C ATOM 1654 O GLU A 107 13.238 -4.073 4.144 1.00 0.00 O ATOM 1655 CB GLU A 107 13.757 -1.024 4.955 1.00 0.00 C ATOM 1656 CG GLU A 107 14.210 -0.349 6.252 1.00 0.00 C ATOM 1657 CD GLU A 107 13.173 0.639 6.822 1.00 0.00 C ATOM 1658 OE1 GLU A 107 11.970 0.570 6.476 1.00 0.00 O ATOM 1659 OE2 GLU A 107 13.547 1.430 7.719 1.00 0.00 O ATOM 0 H GLU A 107 15.619 -0.698 3.323 1.00 0.00 H new ATOM 0 HA GLU A 107 15.057 -2.727 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.693 -0.264 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.750 -1.413 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.419 -1.116 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.145 0.182 6.070 1.00 0.00 H new ATOM 1666 N LEU A 108 13.593 -2.851 2.291 1.00 0.00 N ATOM 1667 CA LEU A 108 12.632 -3.589 1.467 1.00 0.00 C ATOM 1668 C LEU A 108 12.995 -5.053 1.338 1.00 0.00 C ATOM 1669 O LEU A 108 12.124 -5.911 1.276 1.00 0.00 O ATOM 1670 CB LEU A 108 12.443 -3.018 0.052 1.00 0.00 C ATOM 1671 CG LEU A 108 13.415 -1.950 -0.464 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.610 -2.005 -1.975 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.893 -0.566 -0.077 1.00 0.00 C ATOM 0 H LEU A 108 14.101 -2.126 1.784 1.00 0.00 H new ATOM 0 HA LEU A 108 11.691 -3.477 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.476 -3.855 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.438 -2.599 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 108 14.384 -2.147 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.308 -1.226 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.009 -2.980 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.652 -1.849 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.581 0.197 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.910 -0.411 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.816 -0.497 1.008 1.00 0.00 H new ATOM 1685 N GLU A 109 14.286 -5.335 1.281 1.00 0.00 N ATOM 1686 CA GLU A 109 14.779 -6.700 1.172 1.00 0.00 C ATOM 1687 C GLU A 109 14.402 -7.566 2.382 1.00 0.00 C ATOM 1688 O GLU A 109 14.355 -8.786 2.246 1.00 0.00 O ATOM 1689 CB GLU A 109 16.288 -6.694 0.920 1.00 0.00 C ATOM 1690 CG GLU A 109 16.640 -6.408 -0.545 1.00 0.00 C ATOM 1691 CD GLU A 109 16.106 -7.496 -1.481 1.00 0.00 C ATOM 1692 OE1 GLU A 109 16.779 -8.527 -1.689 1.00 0.00 O ATOM 1693 OE2 GLU A 109 15.000 -7.330 -2.049 1.00 0.00 O ATOM 0 H GLU A 109 15.020 -4.628 1.309 1.00 0.00 H new ATOM 0 HA GLU A 109 14.287 -7.163 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.756 -5.942 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.705 -7.659 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.226 -5.443 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.722 -6.336 -0.651 1.00 0.00 H new ATOM 1700 N ASP A 110 14.073 -6.964 3.528 1.00 0.00 N ATOM 1701 CA ASP A 110 13.620 -7.683 4.719 1.00 0.00 C ATOM 1702 C ASP A 110 12.102 -7.921 4.723 1.00 0.00 C ATOM 1703 O ASP A 110 11.596 -8.715 5.518 1.00 0.00 O ATOM 1704 CB ASP A 110 14.081 -6.915 5.960 1.00 0.00 C ATOM 1705 CG ASP A 110 13.705 -7.632 7.256 1.00 0.00 C ATOM 1706 OD1 ASP A 110 14.181 -8.767 7.495 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.997 -7.021 8.086 1.00 0.00 O ATOM 0 H ASP A 110 14.115 -5.953 3.655 1.00 0.00 H new ATOM 0 HA ASP A 110 14.067 -8.677 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.162 -6.781 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.636 -5.920 5.955 1.00 0.00 H new ATOM 1712 N LEU A 111 11.359 -7.285 3.816 1.00 0.00 N ATOM 1713 CA LEU A 111 9.962 -7.604 3.516 1.00 0.00 C ATOM 1714 C LEU A 111 9.878 -8.886 2.693 1.00 0.00 C ATOM 1715 O LEU A 111 10.883 -9.529 2.387 1.00 0.00 O ATOM 1716 CB LEU A 111 9.330 -6.452 2.727 1.00 0.00 C ATOM 1717 CG LEU A 111 9.314 -5.068 3.384 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.764 -4.068 2.361 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.439 -5.097 4.642 1.00 0.00 C ATOM 0 H LEU A 111 11.721 -6.514 3.255 1.00 0.00 H new ATOM 0 HA LEU A 111 9.425 -7.747 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.857 -6.367 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.301 -6.727 2.497 1.00 0.00 H new ATOM 0 HG LEU A 111 10.319 -4.773 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.741 -3.072 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.405 -4.060 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.754 -4.361 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.433 -4.110 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.421 -5.377 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.840 -5.825 5.348 1.00 0.00 H new ATOM 1731 N LEU A 112 8.651 -9.265 2.344 1.00 0.00 N ATOM 1732 CA LEU A 112 8.347 -10.543 1.731 1.00 0.00 C ATOM 1733 C LEU A 112 8.468 -10.437 0.226 1.00 0.00 C ATOM 1734 O LEU A 112 7.909 -9.534 -0.410 1.00 0.00 O ATOM 1735 CB LEU A 112 6.922 -10.978 2.062 1.00 0.00 C ATOM 1736 CG LEU A 112 6.680 -11.095 3.573 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.190 -11.094 3.810 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.316 -12.317 4.228 1.00 0.00 C ATOM 0 H LEU A 112 7.829 -8.677 2.484 1.00 0.00 H new ATOM 0 HA LEU A 112 9.054 -11.275 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.219 -10.260 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.720 -11.939 1.589 1.00 0.00 H new ATOM 0 HG LEU A 112 7.167 -10.241 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.991 -11.176 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.762 -10.166 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.738 -11.939 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.092 -12.316 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.915 -13.223 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.396 -12.286 4.084 1.00 0.00 H new ATOM 1750 N ASP A 113 9.174 -11.409 -0.331 1.00 0.00 N ATOM 1751 CA ASP A 113 9.161 -11.752 -1.742 1.00 0.00 C ATOM 1752 C ASP A 113 7.753 -12.189 -2.158 1.00 0.00 C ATOM 1753 O ASP A 113 6.870 -12.397 -1.331 1.00 0.00 O ATOM 1754 CB ASP A 113 10.145 -12.906 -1.985 1.00 0.00 C ATOM 1755 CG ASP A 113 11.594 -12.472 -1.801 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.047 -11.602 -2.587 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.241 -12.977 -0.855 1.00 0.00 O ATOM 0 H ASP A 113 9.798 -12.005 0.213 1.00 0.00 H new ATOM 0 HA ASP A 113 9.454 -10.883 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.922 -13.723 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.008 -13.292 -2.995 1.00 0.00 H new ATOM 1762 N GLU A 114 7.536 -12.374 -3.455 1.00 0.00 N ATOM 1763 CA GLU A 114 6.236 -12.691 -4.033 1.00 0.00 C ATOM 1764 C GLU A 114 5.776 -14.080 -3.620 1.00 0.00 C ATOM 1765 O GLU A 114 4.668 -14.229 -3.108 1.00 0.00 O ATOM 1766 CB GLU A 114 6.297 -12.558 -5.557 1.00 0.00 C ATOM 1767 CG GLU A 114 4.888 -12.674 -6.165 1.00 0.00 C ATOM 1768 CD GLU A 114 4.749 -11.926 -7.494 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.094 -10.718 -7.534 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.164 -12.495 -8.445 1.00 0.00 O ATOM 0 H GLU A 114 8.278 -12.306 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 114 5.502 -11.981 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.738 -11.598 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.943 -13.333 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.650 -13.726 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.158 -12.283 -5.456 1.00 0.00 H new ATOM 1777 N GLN A 115 6.626 -15.093 -3.806 1.00 0.00 N ATOM 1778 CA GLN A 115 6.364 -16.435 -3.343 1.00 0.00 C ATOM 1779 C GLN A 115 6.112 -16.422 -1.835 1.00 0.00 C ATOM 1780 O GLN A 115 5.115 -16.981 -1.390 1.00 0.00 O ATOM 1781 CB GLN A 115 7.564 -17.308 -3.711 1.00 0.00 C ATOM 1782 CG GLN A 115 7.154 -18.774 -3.758 1.00 0.00 C ATOM 1783 CD GLN A 115 8.364 -19.689 -3.892 1.00 0.00 C ATOM 1784 OE1 GLN A 115 9.242 -19.678 -3.030 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.446 -20.481 -4.949 1.00 0.00 N ATOM 0 H GLN A 115 7.519 -14.992 -4.287 1.00 0.00 H new ATOM 0 HA GLN A 115 5.471 -16.844 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.962 -17.003 -4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.361 -17.169 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.603 -19.028 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.479 -18.937 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 115 7.706 -20.473 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.249 -21.099 -5.062 1.00 0.00 H new ATOM 1794 N ALA A 116 6.972 -15.739 -1.070 1.00 0.00 N ATOM 1795 CA ALA A 116 6.857 -15.649 0.379 1.00 0.00 C ATOM 1796 C ALA A 116 5.589 -14.902 0.812 1.00 0.00 C ATOM 1797 O ALA A 116 5.115 -15.112 1.931 1.00 0.00 O ATOM 1798 CB ALA A 116 8.099 -14.973 0.965 1.00 0.00 C ATOM 0 H ALA A 116 7.772 -15.231 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 116 6.782 -16.665 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.002 -14.911 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.984 -15.557 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.196 -13.969 0.551 1.00 0.00 H new ATOM 1804 N TYR A 117 5.038 -14.032 -0.036 1.00 0.00 N ATOM 1805 CA TYR A 117 3.750 -13.400 0.210 1.00 0.00 C ATOM 1806 C TYR A 117 2.585 -14.336 -0.138 1.00 0.00 C ATOM 1807 O TYR A 117 1.640 -14.433 0.641 1.00 0.00 O ATOM 1808 CB TYR A 117 3.683 -12.082 -0.563 1.00 0.00 C ATOM 1809 CG TYR A 117 2.279 -11.543 -0.714 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.540 -11.174 0.425 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.675 -11.527 -1.984 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.192 -10.798 0.294 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.334 -11.141 -2.122 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.415 -10.782 -0.981 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.738 -10.498 -1.103 1.00 0.00 O ATOM 0 H TYR A 117 5.476 -13.748 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 117 3.653 -13.185 1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.296 -11.339 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.116 -12.228 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.008 -11.180 1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.246 -11.813 -2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.379 -10.521 1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.125 -11.118 -3.099 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.264 -11.193 -0.655 1.00 0.00 H new ATOM 1825 N GLN A 118 2.645 -15.048 -1.266 1.00 0.00 N ATOM 1826 CA GLN A 118 1.658 -16.059 -1.644 1.00 0.00 C ATOM 1827 C GLN A 118 1.541 -17.105 -0.529 1.00 0.00 C ATOM 1828 O GLN A 118 0.444 -17.406 -0.074 1.00 0.00 O ATOM 1829 CB GLN A 118 2.025 -16.638 -3.028 1.00 0.00 C ATOM 1830 CG GLN A 118 1.886 -18.162 -3.169 1.00 0.00 C ATOM 1831 CD GLN A 118 1.919 -18.633 -4.623 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.494 -17.987 -5.500 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.326 -19.779 -4.911 1.00 0.00 N ATOM 0 H GLN A 118 3.392 -14.936 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 118 0.664 -15.624 -1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.394 -16.163 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.055 -16.363 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.691 -18.647 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.949 -18.480 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.852 -20.307 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.342 -20.136 -5.867 1.00 0.00 H new ATOM 1842 N GLU A 119 2.679 -17.604 -0.058 1.00 0.00 N ATOM 1843 CA GLU A 119 2.844 -18.443 1.121 1.00 0.00 C ATOM 1844 C GLU A 119 2.055 -17.896 2.314 1.00 0.00 C ATOM 1845 O GLU A 119 1.317 -18.647 2.958 1.00 0.00 O ATOM 1846 CB GLU A 119 4.342 -18.481 1.460 1.00 0.00 C ATOM 1847 CG GLU A 119 5.167 -19.464 0.618 1.00 0.00 C ATOM 1848 CD GLU A 119 5.152 -20.887 1.167 1.00 0.00 C ATOM 1849 OE1 GLU A 119 4.308 -21.229 2.028 1.00 0.00 O ATOM 1850 OE2 GLU A 119 5.971 -21.725 0.723 1.00 0.00 O ATOM 0 H GLU A 119 3.569 -17.420 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 119 2.463 -19.443 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.755 -17.480 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.456 -18.741 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.782 -19.471 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.197 -19.112 0.567 1.00 0.00 H new ATOM 1857 N PHE A 120 2.202 -16.598 2.598 1.00 0.00 N ATOM 1858 CA PHE A 120 1.538 -15.919 3.704 1.00 0.00 C ATOM 1859 C PHE A 120 0.021 -15.812 3.488 1.00 0.00 C ATOM 1860 O PHE A 120 -0.740 -15.737 4.451 1.00 0.00 O ATOM 1861 CB PHE A 120 2.169 -14.532 3.892 1.00 0.00 C ATOM 1862 CG PHE A 120 1.910 -13.936 5.257 1.00 0.00 C ATOM 1863 CD1 PHE A 120 2.458 -14.538 6.406 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.087 -12.804 5.387 1.00 0.00 C ATOM 1865 CE1 PHE A 120 2.171 -14.017 7.680 1.00 0.00 C ATOM 1866 CE2 PHE A 120 0.786 -12.297 6.660 1.00 0.00 C ATOM 1867 CZ PHE A 120 1.336 -12.893 7.806 1.00 0.00 C ATOM 0 H PHE A 120 2.801 -15.980 2.050 1.00 0.00 H new ATOM 0 HA PHE A 120 1.679 -16.510 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.245 -14.606 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 120 1.780 -13.857 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.100 -15.401 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 120 0.686 -12.324 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.591 -14.480 8.561 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.129 -11.445 6.759 1.00 0.00 H new ATOM 0 HZ PHE A 120 1.118 -12.488 8.783 1.00 0.00 H new ATOM 1877 N CYS A 121 -0.442 -15.838 2.239 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.856 -15.852 1.878 1.00 0.00 C ATOM 1879 C CYS A 121 -2.437 -17.264 1.821 1.00 0.00 C ATOM 1880 O CYS A 121 -3.627 -17.403 1.550 1.00 0.00 O ATOM 1881 CB CYS A 121 -2.036 -15.186 0.514 1.00 0.00 C ATOM 1882 SG CYS A 121 -1.549 -13.456 0.643 1.00 0.00 S ATOM 0 H CYS A 121 0.176 -15.850 1.428 1.00 0.00 H new ATOM 0 HA CYS A 121 -2.392 -15.307 2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -1.430 -15.694 -0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -3.074 -15.263 0.191 1.00 0.00 H new ATOM 0 HG CYS A 121 -1.154 -13.029 -0.519 1.00 0.00 H new ATOM 1888 N ALA A 122 -1.632 -18.306 2.025 1.00 0.00 N ATOM 1889 CA ALA A 122 -2.023 -19.708 1.921 1.00 0.00 C ATOM 1890 C ALA A 122 -1.986 -20.398 3.284 1.00 0.00 C ATOM 1891 O ALA A 122 -2.200 -21.606 3.376 1.00 0.00 O ATOM 1892 CB ALA A 122 -1.093 -20.417 0.936 1.00 0.00 C ATOM 0 H ALA A 122 -0.651 -18.190 2.277 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.049 -19.760 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.380 -21.465 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.169 -19.942 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.065 -20.349 1.293 1.00 0.00 H new ATOM 1898 N GLN A 123 -1.685 -19.653 4.344 1.00 0.00 N ATOM 1899 CA GLN A 123 -1.645 -20.115 5.720 1.00 0.00 C ATOM 1900 C GLN A 123 -2.670 -19.353 6.581 1.00 0.00 C ATOM 1901 O GLN A 123 -2.504 -19.222 7.797 1.00 0.00 O ATOM 1902 CB GLN A 123 -0.210 -19.945 6.229 1.00 0.00 C ATOM 1903 CG GLN A 123 0.238 -18.471 6.289 1.00 0.00 C ATOM 1904 CD GLN A 123 0.784 -18.072 7.653 1.00 0.00 C ATOM 1905 OE1 GLN A 123 1.942 -17.676 7.767 1.00 0.00 O ATOM 1906 NE2 GLN A 123 0.004 -18.204 8.708 1.00 0.00 N ATOM 0 H GLN A 123 -1.452 -18.664 4.258 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.922 -21.167 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -0.129 -20.384 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 123 0.468 -20.499 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.003 -18.298 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -0.607 -17.829 6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.955 -18.534 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.359 -17.976 9.637 1.00 0.00 H new ATOM 1915 N GLU A 124 -3.649 -18.722 5.931 1.00 0.00 N ATOM 1916 CA GLU A 124 -4.539 -17.728 6.514 1.00 0.00 C ATOM 1917 C GLU A 124 -5.976 -18.222 6.471 1.00 0.00 C ATOM 1918 O GLU A 124 -6.756 -17.815 7.361 1.00 0.00 O ATOM 1919 CB GLU A 124 -4.328 -16.404 5.760 1.00 0.00 C ATOM 1920 CG GLU A 124 -5.127 -15.237 6.363 1.00 0.00 C ATOM 1921 CD GLU A 124 -4.751 -13.880 5.759 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -4.378 -13.794 4.573 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -4.848 -12.851 6.472 1.00 0.00 O ATOM 0 H GLU A 124 -3.848 -18.899 4.946 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.313 -17.560 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.267 -16.153 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -4.618 -16.535 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.191 -15.415 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.961 -15.208 7.440 1.00 0.00 H new TER 1930 GLU A 124