USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 807 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 58 ASN : amide:sc= 0.962 K(o=1.5,f=-2.8) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -178:sc= 0.538 (180deg=-0.548) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.221 (180deg=-0.679) USER MOD Single : A 1 MET N :NH3+ -109:sc= 1.01 (180deg=-0.497) USER MOD Single : A 10 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.079 USER MOD Single : A 20 HIS : no HD1:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.11 K(o=-1.1,f=-9.4!) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.17) USER MOD Single : A 84 MET CE :methyl 164:sc= -0.0836 (180deg=-0.45) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 0.32 (180deg=0.0458) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.49) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.524 -9.467 -4.469 1.00 0.00 N ATOM 2 CA MET A 1 -3.783 -8.175 -3.808 1.00 0.00 C ATOM 3 C MET A 1 -2.609 -7.802 -2.912 1.00 0.00 C ATOM 4 O MET A 1 -2.130 -8.620 -2.127 1.00 0.00 O ATOM 5 CB MET A 1 -5.126 -8.190 -3.082 1.00 0.00 C ATOM 6 CG MET A 1 -5.393 -6.948 -2.221 1.00 0.00 C ATOM 7 SD MET A 1 -6.085 -5.556 -3.127 1.00 0.00 S ATOM 8 CE MET A 1 -7.619 -5.338 -2.181 1.00 0.00 C ATOM 0 H1 MET A 1 -3.345 -9.309 -5.481 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.693 -9.918 -4.036 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.352 -10.087 -4.356 1.00 0.00 H new ATOM 0 HA MET A 1 -3.865 -7.391 -4.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.923 -8.285 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.173 -9.075 -2.447 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.076 -7.218 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.459 -6.635 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.075 -4.383 -2.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.311 -6.147 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.394 -5.354 -1.115 1.00 0.00 H new ATOM 18 N ILE A 2 -2.144 -6.557 -3.027 1.00 0.00 N ATOM 19 CA ILE A 2 -0.991 -5.995 -2.326 1.00 0.00 C ATOM 20 C ILE A 2 -1.416 -4.580 -1.934 1.00 0.00 C ATOM 21 O ILE A 2 -2.121 -3.934 -2.713 1.00 0.00 O ATOM 22 CB ILE A 2 0.275 -5.995 -3.220 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.477 -7.341 -3.952 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.533 -5.638 -2.418 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.781 -7.466 -4.748 1.00 0.00 C ATOM 0 H ILE A 2 -2.587 -5.878 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.718 -6.586 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 2 0.114 -5.225 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.442 -8.144 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.361 -7.495 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.400 -5.648 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.418 -4.644 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.675 -6.367 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.825 -8.446 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.816 -6.690 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.631 -7.350 -4.075 1.00 0.00 H new ATOM 37 N ILE A 3 -1.035 -4.131 -0.740 1.00 0.00 N ATOM 38 CA ILE A 3 -1.567 -2.989 -0.010 1.00 0.00 C ATOM 39 C ILE A 3 -0.391 -2.083 0.341 1.00 0.00 C ATOM 40 O ILE A 3 0.409 -2.444 1.204 1.00 0.00 O ATOM 41 CB ILE A 3 -2.304 -3.478 1.256 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.485 -4.421 0.929 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.838 -2.277 2.050 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.442 -5.707 1.752 1.00 0.00 C ATOM 0 H ILE A 3 -0.289 -4.594 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.288 -2.434 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.578 -4.038 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.425 -3.902 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.466 -4.670 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.356 -2.631 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.006 -1.637 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.531 -1.709 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.291 -6.337 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.515 -6.241 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.489 -5.462 2.813 1.00 0.00 H new ATOM 56 N ALA A 4 -0.226 -0.962 -0.362 1.00 0.00 N ATOM 57 CA ALA A 4 0.866 -0.027 -0.087 1.00 0.00 C ATOM 58 C ALA A 4 0.498 0.829 1.102 1.00 0.00 C ATOM 59 O ALA A 4 -0.631 1.323 1.191 1.00 0.00 O ATOM 60 CB ALA A 4 1.181 0.905 -1.263 1.00 0.00 C ATOM 0 H ALA A 4 -0.837 -0.679 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 4 1.752 -0.632 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.000 1.571 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.470 0.311 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.298 1.496 -1.505 1.00 0.00 H new ATOM 66 N ILE A 5 1.486 1.082 1.949 1.00 0.00 N ATOM 67 CA ILE A 5 1.355 1.897 3.133 1.00 0.00 C ATOM 68 C ILE A 5 2.647 2.722 3.189 1.00 0.00 C ATOM 69 O ILE A 5 3.725 2.155 3.390 1.00 0.00 O ATOM 70 CB ILE A 5 1.093 1.011 4.374 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.101 0.052 4.128 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.768 1.944 5.546 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.558 -0.793 5.316 1.00 0.00 C ATOM 0 H ILE A 5 2.427 0.711 1.821 1.00 0.00 H new ATOM 0 HA ILE A 5 0.498 2.570 3.112 1.00 0.00 H new ATOM 0 HB ILE A 5 1.972 0.402 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.949 0.645 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.166 -0.622 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.577 1.351 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.612 2.610 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.116 2.535 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.398 -1.420 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.265 -1.425 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.868 -0.138 6.131 1.00 0.00 H new ATOM 85 N PRO A 6 2.596 4.035 2.901 1.00 0.00 N ATOM 86 CA PRO A 6 3.754 4.904 3.042 1.00 0.00 C ATOM 87 C PRO A 6 4.005 5.123 4.532 1.00 0.00 C ATOM 88 O PRO A 6 3.084 5.499 5.259 1.00 0.00 O ATOM 89 CB PRO A 6 3.370 6.200 2.327 1.00 0.00 C ATOM 90 CG PRO A 6 1.853 6.258 2.427 1.00 0.00 C ATOM 91 CD PRO A 6 1.410 4.800 2.540 1.00 0.00 C ATOM 0 HA PRO A 6 4.670 4.496 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.832 7.066 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.699 6.192 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.536 6.836 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.417 6.736 1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.632 4.688 3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.993 4.447 1.597 1.00 0.00 H new ATOM 99 N VAL A 7 5.232 4.920 5.002 1.00 0.00 N ATOM 100 CA VAL A 7 5.551 4.910 6.431 1.00 0.00 C ATOM 101 C VAL A 7 6.804 5.734 6.694 1.00 0.00 C ATOM 102 O VAL A 7 7.663 5.841 5.817 1.00 0.00 O ATOM 103 CB VAL A 7 5.714 3.460 6.925 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.372 2.727 6.974 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.707 2.662 6.066 1.00 0.00 C ATOM 0 H VAL A 7 6.040 4.757 4.401 1.00 0.00 H new ATOM 0 HA VAL A 7 4.731 5.364 6.988 1.00 0.00 H new ATOM 0 HB VAL A 7 6.116 3.528 7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.527 1.707 7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.698 3.248 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.934 2.703 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.788 1.646 6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.353 2.630 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.685 3.142 6.099 1.00 0.00 H new ATOM 115 N SER A 8 6.906 6.296 7.900 1.00 0.00 N ATOM 116 CA SER A 8 7.976 7.216 8.268 1.00 0.00 C ATOM 117 C SER A 8 9.334 6.541 8.501 1.00 0.00 C ATOM 118 O SER A 8 10.328 7.260 8.584 1.00 0.00 O ATOM 119 CB SER A 8 7.572 7.971 9.536 1.00 0.00 C ATOM 120 OG SER A 8 6.397 8.738 9.318 1.00 0.00 O ATOM 0 H SER A 8 6.241 6.122 8.653 1.00 0.00 H new ATOM 0 HA SER A 8 8.107 7.888 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.403 7.263 10.347 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.385 8.626 9.849 1.00 0.00 H new ATOM 0 HG SER A 8 6.157 9.210 10.142 1.00 0.00 H new ATOM 126 N GLU A 9 9.405 5.213 8.624 1.00 0.00 N ATOM 127 CA GLU A 9 10.648 4.461 8.779 1.00 0.00 C ATOM 128 C GLU A 9 10.409 3.001 8.394 1.00 0.00 C ATOM 129 O GLU A 9 9.259 2.562 8.286 1.00 0.00 O ATOM 130 CB GLU A 9 11.135 4.541 10.236 1.00 0.00 C ATOM 131 CG GLU A 9 12.110 5.699 10.491 1.00 0.00 C ATOM 132 CD GLU A 9 13.343 5.202 11.234 1.00 0.00 C ATOM 133 OE1 GLU A 9 14.092 4.355 10.706 1.00 0.00 O ATOM 134 OE2 GLU A 9 13.532 5.619 12.398 1.00 0.00 O ATOM 0 H GLU A 9 8.577 4.618 8.618 1.00 0.00 H new ATOM 0 HA GLU A 9 11.410 4.890 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.273 4.650 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.621 3.602 10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.406 6.149 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.616 6.477 11.073 1.00 0.00 H new ATOM 141 N ASN A 10 11.477 2.202 8.285 1.00 0.00 N ATOM 142 CA ASN A 10 11.432 0.780 7.919 1.00 0.00 C ATOM 143 C ASN A 10 11.102 -0.128 9.106 1.00 0.00 C ATOM 144 O ASN A 10 11.647 -1.226 9.259 1.00 0.00 O ATOM 145 CB ASN A 10 12.746 0.342 7.260 1.00 0.00 C ATOM 146 CG ASN A 10 13.938 0.187 8.190 1.00 0.00 C ATOM 147 OD1 ASN A 10 13.944 0.641 9.335 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.969 -0.455 7.684 1.00 0.00 N ATOM 0 H ASN A 10 12.426 2.537 8.454 1.00 0.00 H new ATOM 0 HA ASN A 10 10.620 0.672 7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.577 -0.610 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.003 1.069 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.810 -0.591 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.927 -0.817 6.731 1.00 0.00 H new ATOM 155 N ARG A 11 10.182 0.299 9.969 1.00 0.00 N ATOM 156 CA ARG A 11 9.876 -0.406 11.210 1.00 0.00 C ATOM 157 C ARG A 11 8.924 -1.583 10.989 1.00 0.00 C ATOM 158 O ARG A 11 7.988 -1.700 11.757 1.00 0.00 O ATOM 159 CB ARG A 11 9.400 0.578 12.300 1.00 0.00 C ATOM 160 CG ARG A 11 10.335 1.789 12.413 1.00 0.00 C ATOM 161 CD ARG A 11 10.329 2.430 13.803 1.00 0.00 C ATOM 162 NE ARG A 11 11.182 3.630 13.831 1.00 0.00 N ATOM 163 CZ ARG A 11 11.341 4.453 14.872 1.00 0.00 C ATOM 164 NH1 ARG A 11 10.780 4.187 16.045 1.00 0.00 N ATOM 165 NH2 ARG A 11 12.075 5.548 14.728 1.00 0.00 N ATOM 0 H ARG A 11 9.628 1.144 9.827 1.00 0.00 H new ATOM 0 HA ARG A 11 10.798 -0.855 11.579 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.390 0.917 12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.352 0.064 13.260 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.351 1.479 12.168 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.042 2.536 11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.309 2.697 14.080 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.682 1.710 14.541 1.00 0.00 H new ATOM 0 HE ARG A 11 11.698 3.853 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.218 3.344 16.162 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.911 4.825 16.830 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.511 5.755 13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.203 6.183 15.516 1.00 0.00 H new ATOM 179 N GLY A 12 9.090 -2.370 9.916 1.00 0.00 N ATOM 180 CA GLY A 12 8.187 -3.415 9.432 1.00 0.00 C ATOM 181 C GLY A 12 7.241 -3.987 10.491 1.00 0.00 C ATOM 182 O GLY A 12 7.725 -4.440 11.534 1.00 0.00 O ATOM 0 H GLY A 12 9.917 -2.284 9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.592 -3.011 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.784 -4.229 9.020 1.00 0.00 H new ATOM 186 N LYS A 13 5.922 -3.950 10.220 1.00 0.00 N ATOM 187 CA LYS A 13 4.779 -4.142 11.136 1.00 0.00 C ATOM 188 C LYS A 13 4.510 -2.848 11.918 1.00 0.00 C ATOM 189 O LYS A 13 3.485 -2.204 11.701 1.00 0.00 O ATOM 190 CB LYS A 13 4.937 -5.312 12.134 1.00 0.00 C ATOM 191 CG LYS A 13 5.465 -6.652 11.595 1.00 0.00 C ATOM 192 CD LYS A 13 6.146 -7.501 12.685 1.00 0.00 C ATOM 193 CE LYS A 13 7.376 -6.813 13.305 1.00 0.00 C ATOM 194 NZ LYS A 13 7.970 -7.583 14.411 1.00 0.00 N ATOM 0 H LYS A 13 5.600 -3.769 9.269 1.00 0.00 H new ATOM 0 HA LYS A 13 3.937 -4.401 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.606 -4.985 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.964 -5.495 12.591 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.639 -7.217 11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.176 -6.461 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.424 -7.719 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.449 -8.457 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.128 -6.660 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.088 -5.827 13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.793 -7.071 14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.265 -7.708 15.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.272 -8.515 14.062 1.00 0.00 H new ATOM 208 N ASP A 14 5.438 -2.465 12.796 1.00 0.00 N ATOM 209 CA ASP A 14 5.405 -1.294 13.680 1.00 0.00 C ATOM 210 C ASP A 14 5.468 0.034 12.916 1.00 0.00 C ATOM 211 O ASP A 14 5.289 1.093 13.513 1.00 0.00 O ATOM 212 CB ASP A 14 6.617 -1.333 14.629 1.00 0.00 C ATOM 213 CG ASP A 14 6.368 -2.025 15.959 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.078 -3.244 15.974 1.00 0.00 O ATOM 215 OD2 ASP A 14 6.609 -1.349 16.988 1.00 0.00 O ATOM 0 H ASP A 14 6.296 -3.003 12.919 1.00 0.00 H new ATOM 0 HA ASP A 14 4.459 -1.342 14.219 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.440 -1.837 14.123 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.941 -0.310 14.823 1.00 0.00 H new ATOM 220 N SER A 15 5.759 -0.018 11.618 1.00 0.00 N ATOM 221 CA SER A 15 5.818 1.036 10.624 1.00 0.00 C ATOM 222 C SER A 15 4.740 2.102 10.865 1.00 0.00 C ATOM 223 O SER A 15 3.588 1.883 10.483 1.00 0.00 O ATOM 224 CB SER A 15 5.646 0.365 9.270 1.00 0.00 C ATOM 225 OG SER A 15 6.416 -0.809 9.092 1.00 0.00 O ATOM 0 H SER A 15 5.987 -0.916 11.192 1.00 0.00 H new ATOM 0 HA SER A 15 6.771 1.563 10.677 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.593 0.118 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.910 1.079 8.489 1.00 0.00 H new ATOM 0 HG SER A 15 6.248 -1.179 8.200 1.00 0.00 H new ATOM 231 N PRO A 16 5.062 3.247 11.490 1.00 0.00 N ATOM 232 CA PRO A 16 4.077 4.290 11.705 1.00 0.00 C ATOM 233 C PRO A 16 3.768 4.932 10.354 1.00 0.00 C ATOM 234 O PRO A 16 4.683 5.293 9.602 1.00 0.00 O ATOM 235 CB PRO A 16 4.714 5.249 12.706 1.00 0.00 C ATOM 236 CG PRO A 16 6.207 5.120 12.409 1.00 0.00 C ATOM 237 CD PRO A 16 6.374 3.665 11.971 1.00 0.00 C ATOM 0 HA PRO A 16 3.126 3.939 12.106 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.362 6.271 12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.482 4.971 13.734 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.519 5.811 11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.810 5.343 13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.126 3.576 11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.704 3.041 12.802 1.00 0.00 H new ATOM 245 N ILE A 17 2.483 5.028 10.018 1.00 0.00 N ATOM 246 CA ILE A 17 2.057 5.536 8.728 1.00 0.00 C ATOM 247 C ILE A 17 2.517 6.990 8.572 1.00 0.00 C ATOM 248 O ILE A 17 2.348 7.805 9.485 1.00 0.00 O ATOM 249 CB ILE A 17 0.540 5.306 8.578 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.139 5.308 7.096 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.318 6.278 9.392 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.077 4.414 6.884 1.00 0.00 C ATOM 0 H ILE A 17 1.716 4.756 10.633 1.00 0.00 H new ATOM 0 HA ILE A 17 2.524 4.999 7.902 1.00 0.00 H new ATOM 0 HB ILE A 17 0.337 4.322 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.086 6.324 6.773 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.970 4.956 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.373 6.052 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.079 6.175 10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.114 7.300 9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.355 4.421 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.837 3.395 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.910 4.785 7.481 1.00 0.00 H new ATOM 264 N SER A 18 3.124 7.305 7.429 1.00 0.00 N ATOM 265 CA SER A 18 3.453 8.654 7.002 1.00 0.00 C ATOM 266 C SER A 18 2.156 9.365 6.603 1.00 0.00 C ATOM 267 O SER A 18 1.100 8.744 6.441 1.00 0.00 O ATOM 268 CB SER A 18 4.431 8.588 5.813 1.00 0.00 C ATOM 269 OG SER A 18 5.652 9.254 6.066 1.00 0.00 O ATOM 0 H SER A 18 3.409 6.597 6.753 1.00 0.00 H new ATOM 0 HA SER A 18 3.932 9.209 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.635 7.544 5.575 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.958 9.029 4.935 1.00 0.00 H new ATOM 0 HG SER A 18 6.234 9.179 5.281 1.00 0.00 H new ATOM 275 N GLU A 19 2.239 10.673 6.375 1.00 0.00 N ATOM 276 CA GLU A 19 1.086 11.440 5.919 1.00 0.00 C ATOM 277 C GLU A 19 1.062 11.436 4.394 1.00 0.00 C ATOM 278 O GLU A 19 0.058 11.089 3.782 1.00 0.00 O ATOM 279 CB GLU A 19 1.118 12.878 6.449 1.00 0.00 C ATOM 280 CG GLU A 19 0.807 12.987 7.959 1.00 0.00 C ATOM 281 CD GLU A 19 -0.437 13.820 8.303 1.00 0.00 C ATOM 282 OE1 GLU A 19 -1.396 13.878 7.499 1.00 0.00 O ATOM 283 OE2 GLU A 19 -0.469 14.393 9.420 1.00 0.00 O ATOM 0 H GLU A 19 3.090 11.221 6.498 1.00 0.00 H new ATOM 0 HA GLU A 19 0.180 10.974 6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.102 13.305 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.397 13.477 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.677 11.983 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.670 13.423 8.463 1.00 0.00 H new ATOM 290 N HIS A 20 2.137 11.878 3.744 1.00 0.00 N ATOM 291 CA HIS A 20 2.109 12.123 2.303 1.00 0.00 C ATOM 292 C HIS A 20 2.744 10.916 1.638 1.00 0.00 C ATOM 293 O HIS A 20 3.797 10.439 2.058 1.00 0.00 O ATOM 294 CB HIS A 20 2.825 13.456 1.971 1.00 0.00 C ATOM 295 CG HIS A 20 2.141 14.698 2.506 1.00 0.00 C ATOM 296 ND1 HIS A 20 2.566 16.005 2.325 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.021 14.734 3.291 1.00 0.00 C ATOM 298 CE1 HIS A 20 1.705 16.803 2.991 1.00 0.00 C ATOM 299 NE2 HIS A 20 0.767 16.047 3.592 1.00 0.00 N ATOM 0 H HIS A 20 3.034 12.073 4.189 1.00 0.00 H new ATOM 0 HA HIS A 20 1.093 12.239 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.838 13.416 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.912 13.545 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.442 13.882 3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.760 17.881 3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.001 16.391 4.171 1.00 0.00 H new ATOM 308 N PHE A 21 2.113 10.438 0.573 1.00 0.00 N ATOM 309 CA PHE A 21 2.708 9.438 -0.293 1.00 0.00 C ATOM 310 C PHE A 21 3.893 10.058 -1.032 1.00 0.00 C ATOM 311 O PHE A 21 4.941 9.436 -1.165 1.00 0.00 O ATOM 312 CB PHE A 21 1.634 8.957 -1.266 1.00 0.00 C ATOM 313 CG PHE A 21 2.144 8.013 -2.330 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.242 6.636 -2.059 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.513 8.512 -3.595 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.717 5.764 -3.053 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.953 7.632 -4.597 1.00 0.00 C ATOM 318 CZ PHE A 21 3.068 6.263 -4.318 1.00 0.00 C ATOM 0 H PHE A 21 1.179 10.733 0.289 1.00 0.00 H new ATOM 0 HA PHE A 21 3.077 8.586 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.845 8.460 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.183 9.823 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.954 6.251 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.457 9.572 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.812 4.709 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.202 8.008 -5.578 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.429 5.588 -5.080 1.00 0.00 H new ATOM 328 N GLY A 22 3.746 11.304 -1.498 1.00 0.00 N ATOM 329 CA GLY A 22 4.660 11.874 -2.477 1.00 0.00 C ATOM 330 C GLY A 22 6.065 12.179 -1.963 1.00 0.00 C ATOM 331 O GLY A 22 6.884 12.594 -2.782 1.00 0.00 O ATOM 0 H GLY A 22 2.998 11.933 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.741 11.185 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.224 12.796 -2.862 1.00 0.00 H new ATOM 335 N ARG A 23 6.344 12.016 -0.661 1.00 0.00 N ATOM 336 CA ARG A 23 7.680 12.105 -0.061 1.00 0.00 C ATOM 337 C ARG A 23 7.793 11.074 1.078 1.00 0.00 C ATOM 338 O ARG A 23 8.406 11.345 2.112 1.00 0.00 O ATOM 339 CB ARG A 23 7.860 13.527 0.520 1.00 0.00 C ATOM 340 CG ARG A 23 7.809 14.692 -0.479 1.00 0.00 C ATOM 341 CD ARG A 23 9.026 14.663 -1.405 1.00 0.00 C ATOM 342 NE ARG A 23 9.233 15.949 -2.087 1.00 0.00 N ATOM 343 CZ ARG A 23 10.298 16.745 -1.934 1.00 0.00 C ATOM 344 NH1 ARG A 23 11.277 16.438 -1.091 1.00 0.00 N ATOM 345 NH2 ARG A 23 10.392 17.870 -2.635 1.00 0.00 N ATOM 0 H ARG A 23 5.618 11.811 0.026 1.00 0.00 H new ATOM 0 HA ARG A 23 8.445 11.904 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.086 13.688 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.819 13.564 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.895 14.632 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.778 15.639 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.915 14.413 -0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.897 13.876 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 23 8.505 16.260 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.227 15.579 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.079 17.061 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.653 18.127 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.203 18.477 -2.519 1.00 0.00 H new ATOM 359 N ALA A 24 7.221 9.882 0.890 1.00 0.00 N ATOM 360 CA ALA A 24 7.275 8.822 1.889 1.00 0.00 C ATOM 361 C ALA A 24 8.688 8.230 1.846 1.00 0.00 C ATOM 362 O ALA A 24 9.143 7.943 0.743 1.00 0.00 O ATOM 363 CB ALA A 24 6.260 7.740 1.518 1.00 0.00 C ATOM 0 H ALA A 24 6.711 9.629 0.044 1.00 0.00 H new ATOM 0 HA ALA A 24 7.045 9.203 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.292 6.942 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.260 8.172 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.504 7.334 0.536 1.00 0.00 H new ATOM 369 N PRO A 25 9.385 8.023 2.971 1.00 0.00 N ATOM 370 CA PRO A 25 10.730 7.453 2.948 1.00 0.00 C ATOM 371 C PRO A 25 10.750 5.935 2.678 1.00 0.00 C ATOM 372 O PRO A 25 11.785 5.418 2.262 1.00 0.00 O ATOM 373 CB PRO A 25 11.327 7.814 4.309 1.00 0.00 C ATOM 374 CG PRO A 25 10.112 7.911 5.225 1.00 0.00 C ATOM 375 CD PRO A 25 9.015 8.448 4.310 1.00 0.00 C ATOM 0 HA PRO A 25 11.315 7.858 2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.028 7.053 4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.874 8.756 4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.846 6.940 5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.296 8.580 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.040 8.052 4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.948 9.534 4.373 1.00 0.00 H new ATOM 383 N TYR A 26 9.633 5.218 2.872 1.00 0.00 N ATOM 384 CA TYR A 26 9.517 3.773 2.663 1.00 0.00 C ATOM 385 C TYR A 26 8.109 3.436 2.174 1.00 0.00 C ATOM 386 O TYR A 26 7.171 4.202 2.420 1.00 0.00 O ATOM 387 CB TYR A 26 9.768 3.040 3.992 1.00 0.00 C ATOM 388 CG TYR A 26 11.158 3.208 4.565 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.447 4.294 5.411 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.171 2.300 4.226 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.774 4.562 5.805 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.488 2.542 4.647 1.00 0.00 C ATOM 393 CZ TYR A 26 13.812 3.693 5.393 1.00 0.00 C ATOM 394 OH TYR A 26 15.113 3.913 5.732 1.00 0.00 O ATOM 0 H TYR A 26 8.761 5.643 3.188 1.00 0.00 H new ATOM 0 HA TYR A 26 10.251 3.460 1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.044 3.393 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.579 1.977 3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.646 4.928 5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.939 1.420 3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.997 5.424 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.265 1.835 4.395 1.00 0.00 H new ATOM 0 HH TYR A 26 15.674 3.204 5.354 1.00 0.00 H new ATOM 404 N PHE A 27 7.948 2.256 1.568 1.00 0.00 N ATOM 405 CA PHE A 27 6.657 1.675 1.210 1.00 0.00 C ATOM 406 C PHE A 27 6.585 0.268 1.783 1.00 0.00 C ATOM 407 O PHE A 27 7.245 -0.646 1.286 1.00 0.00 O ATOM 408 CB PHE A 27 6.422 1.649 -0.310 1.00 0.00 C ATOM 409 CG PHE A 27 6.226 3.010 -0.950 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.311 3.940 -0.423 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.939 3.333 -2.113 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.140 5.185 -1.051 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.727 4.552 -2.771 1.00 0.00 C ATOM 414 CZ PHE A 27 5.830 5.490 -2.233 1.00 0.00 C ATOM 0 H PHE A 27 8.737 1.664 1.307 1.00 0.00 H new ATOM 0 HA PHE A 27 5.870 2.301 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.272 1.159 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.544 1.037 -0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.742 3.697 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.661 2.633 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.471 5.914 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.252 4.770 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.673 6.438 -2.726 1.00 0.00 H new ATOM 424 N ALA A 28 5.771 0.097 2.824 1.00 0.00 N ATOM 425 CA ALA A 28 5.331 -1.212 3.260 1.00 0.00 C ATOM 426 C ALA A 28 4.194 -1.625 2.329 1.00 0.00 C ATOM 427 O ALA A 28 3.046 -1.255 2.547 1.00 0.00 O ATOM 428 CB ALA A 28 4.902 -1.161 4.729 1.00 0.00 C ATOM 0 H ALA A 28 5.403 0.866 3.383 1.00 0.00 H new ATOM 0 HA ALA A 28 6.130 -1.951 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.573 -2.150 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.745 -0.844 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.082 -0.452 4.844 1.00 0.00 H new ATOM 434 N PHE A 29 4.521 -2.324 1.246 1.00 0.00 N ATOM 435 CA PHE A 29 3.578 -3.126 0.491 1.00 0.00 C ATOM 436 C PHE A 29 3.362 -4.427 1.264 1.00 0.00 C ATOM 437 O PHE A 29 4.148 -5.373 1.162 1.00 0.00 O ATOM 438 CB PHE A 29 4.084 -3.364 -0.941 1.00 0.00 C ATOM 439 CG PHE A 29 3.514 -2.433 -2.004 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.122 -2.258 -2.110 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.352 -1.798 -2.941 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.574 -1.429 -3.098 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.789 -1.022 -3.976 1.00 0.00 C ATOM 444 CZ PHE A 29 2.400 -0.804 -4.041 1.00 0.00 C ATOM 0 H PHE A 29 5.467 -2.346 0.866 1.00 0.00 H new ATOM 0 HA PHE A 29 2.624 -2.610 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.170 -3.268 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.854 -4.392 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.467 -2.770 -1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.424 -1.905 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.506 -1.271 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.432 -0.590 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.979 -0.166 -4.804 1.00 0.00 H new ATOM 454 N VAL A 30 2.307 -4.478 2.068 1.00 0.00 N ATOM 455 CA VAL A 30 1.835 -5.721 2.674 1.00 0.00 C ATOM 456 C VAL A 30 1.021 -6.466 1.602 1.00 0.00 C ATOM 457 O VAL A 30 0.652 -5.871 0.589 1.00 0.00 O ATOM 458 CB VAL A 30 0.989 -5.360 3.920 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.416 -6.578 4.660 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.836 -4.536 4.901 1.00 0.00 C ATOM 0 H VAL A 30 1.753 -3.659 2.320 1.00 0.00 H new ATOM 0 HA VAL A 30 2.647 -6.368 3.005 1.00 0.00 H new ATOM 0 HB VAL A 30 0.139 -4.786 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.163 -6.242 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.228 -7.143 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.233 -7.215 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.237 -4.284 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.704 -5.118 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.169 -3.620 4.413 1.00 0.00 H new ATOM 470 N LYS A 31 0.736 -7.755 1.779 1.00 0.00 N ATOM 471 CA LYS A 31 -0.096 -8.526 0.857 1.00 0.00 C ATOM 472 C LYS A 31 -1.406 -8.911 1.534 1.00 0.00 C ATOM 473 O LYS A 31 -1.741 -8.436 2.618 1.00 0.00 O ATOM 474 CB LYS A 31 0.689 -9.742 0.340 1.00 0.00 C ATOM 475 CG LYS A 31 1.971 -9.353 -0.402 1.00 0.00 C ATOM 476 CD LYS A 31 2.220 -10.263 -1.606 1.00 0.00 C ATOM 477 CE LYS A 31 3.487 -9.899 -2.382 1.00 0.00 C ATOM 478 NZ LYS A 31 4.708 -10.150 -1.594 1.00 0.00 N ATOM 0 H LYS A 31 1.078 -8.298 2.572 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.355 -7.919 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.944 -10.388 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.052 -10.323 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.900 -8.318 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.819 -9.410 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.295 -11.295 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.363 -10.210 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.526 -10.478 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.449 -8.847 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.545 -9.971 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.725 -9.517 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.716 -11.139 -1.272 1.00 0.00 H new ATOM 492 N VAL A 32 -2.167 -9.777 0.879 1.00 0.00 N ATOM 493 CA VAL A 32 -3.161 -10.624 1.498 1.00 0.00 C ATOM 494 C VAL A 32 -3.110 -11.976 0.805 1.00 0.00 C ATOM 495 O VAL A 32 -2.764 -12.068 -0.380 1.00 0.00 O ATOM 496 CB VAL A 32 -4.535 -9.918 1.460 1.00 0.00 C ATOM 497 CG1 VAL A 32 -4.828 -9.245 0.122 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.731 -10.843 1.735 1.00 0.00 C ATOM 0 H VAL A 32 -2.103 -9.909 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.966 -10.803 2.555 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.439 -9.184 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.807 -8.768 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.066 -8.493 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.820 -9.993 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.655 -10.267 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.759 -11.634 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.628 -11.286 2.726 1.00 0.00 H new ATOM 508 N LYS A 33 -3.475 -13.020 1.550 1.00 0.00 N ATOM 509 CA LYS A 33 -3.885 -14.321 1.051 1.00 0.00 C ATOM 510 C LYS A 33 -5.359 -14.414 1.388 1.00 0.00 C ATOM 511 O LYS A 33 -5.677 -14.570 2.564 1.00 0.00 O ATOM 512 CB LYS A 33 -3.101 -15.446 1.746 1.00 0.00 C ATOM 513 CG LYS A 33 -3.498 -16.856 1.276 1.00 0.00 C ATOM 514 CD LYS A 33 -3.067 -17.191 -0.162 1.00 0.00 C ATOM 515 CE LYS A 33 -4.244 -17.089 -1.141 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.846 -17.342 -2.541 1.00 0.00 N ATOM 0 H LYS A 33 -3.491 -12.972 2.569 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.695 -14.429 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.036 -15.299 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.256 -15.374 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.060 -17.589 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.580 -16.960 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.274 -16.511 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.653 -18.199 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.014 -17.804 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.687 -16.096 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.679 -17.260 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.131 -16.645 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.448 -18.299 -2.621 1.00 0.00 H new ATOM 530 N ASN A 34 -6.235 -14.290 0.395 1.00 0.00 N ATOM 531 CA ASN A 34 -7.694 -14.370 0.482 1.00 0.00 C ATOM 532 C ASN A 34 -8.361 -13.371 1.438 1.00 0.00 C ATOM 533 O ASN A 34 -9.177 -12.576 0.982 1.00 0.00 O ATOM 534 CB ASN A 34 -8.141 -15.813 0.739 1.00 0.00 C ATOM 535 CG ASN A 34 -9.606 -15.985 0.381 1.00 0.00 C ATOM 536 OD1 ASN A 34 -9.945 -16.058 -0.794 1.00 0.00 O ATOM 537 ND2 ASN A 34 -10.510 -16.031 1.347 1.00 0.00 N ATOM 0 H ASN A 34 -5.924 -14.119 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.056 -14.054 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.533 -16.499 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.984 -16.068 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.499 -16.128 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.218 -15.969 2.322 1.00 0.00 H new ATOM 544 N ASN A 35 -8.090 -13.417 2.746 1.00 0.00 N ATOM 545 CA ASN A 35 -8.521 -12.420 3.736 1.00 0.00 C ATOM 546 C ASN A 35 -7.473 -12.181 4.836 1.00 0.00 C ATOM 547 O ASN A 35 -7.784 -11.566 5.852 1.00 0.00 O ATOM 548 CB ASN A 35 -9.896 -12.804 4.324 1.00 0.00 C ATOM 549 CG ASN A 35 -10.820 -11.595 4.421 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.591 -10.663 5.189 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.876 -11.545 3.625 1.00 0.00 N ATOM 0 H ASN A 35 -7.546 -14.174 3.161 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.625 -11.468 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.359 -13.568 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.761 -13.240 5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.496 -10.735 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.070 -12.316 2.986 1.00 0.00 H new ATOM 558 N ALA A 36 -6.240 -12.674 4.667 1.00 0.00 N ATOM 559 CA ALA A 36 -5.149 -12.599 5.639 1.00 0.00 C ATOM 560 C ALA A 36 -4.065 -11.576 5.243 1.00 0.00 C ATOM 561 O ALA A 36 -4.350 -10.678 4.460 1.00 0.00 O ATOM 562 CB ALA A 36 -4.579 -14.009 5.794 1.00 0.00 C ATOM 0 H ALA A 36 -5.966 -13.156 3.811 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.533 -12.238 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.760 -13.993 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.361 -14.681 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.209 -14.360 4.831 1.00 0.00 H new ATOM 568 N ILE A 37 -2.827 -11.695 5.745 1.00 0.00 N ATOM 569 CA ILE A 37 -1.693 -10.822 5.392 1.00 0.00 C ATOM 570 C ILE A 37 -0.846 -11.435 4.279 1.00 0.00 C ATOM 571 O ILE A 37 -0.301 -10.705 3.459 1.00 0.00 O ATOM 572 CB ILE A 37 -0.855 -10.496 6.665 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.378 -9.229 7.377 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.657 -10.280 6.416 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.797 -9.353 7.939 1.00 0.00 C ATOM 0 H ILE A 37 -2.579 -12.416 6.423 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.080 -9.882 5.000 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.975 -11.388 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.699 -8.980 8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.351 -8.396 6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.153 -10.059 7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.087 -11.183 5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.797 -9.446 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.081 -8.417 8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.492 -9.569 7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.830 -10.162 8.669 1.00 0.00 H new ATOM 587 N ALA A 38 -0.758 -12.758 4.186 1.00 0.00 N ATOM 588 CA ALA A 38 0.278 -13.481 3.454 1.00 0.00 C ATOM 589 C ALA A 38 1.711 -13.082 3.848 1.00 0.00 C ATOM 590 O ALA A 38 2.417 -13.898 4.435 1.00 0.00 O ATOM 591 CB ALA A 38 0.064 -13.343 1.945 1.00 0.00 C ATOM 0 H ALA A 38 -1.431 -13.380 4.635 1.00 0.00 H new ATOM 0 HA ALA A 38 0.176 -14.529 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.845 -13.888 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.910 -13.753 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.104 -12.290 1.667 1.00 0.00 H new ATOM 597 N ASP A 39 2.167 -11.883 3.476 1.00 0.00 N ATOM 598 CA ASP A 39 3.575 -11.499 3.410 1.00 0.00 C ATOM 599 C ASP A 39 3.716 -9.975 3.459 1.00 0.00 C ATOM 600 O ASP A 39 2.739 -9.254 3.229 1.00 0.00 O ATOM 601 CB ASP A 39 4.149 -12.019 2.080 1.00 0.00 C ATOM 602 CG ASP A 39 5.491 -12.704 2.279 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.510 -11.982 2.339 1.00 0.00 O ATOM 604 OD2 ASP A 39 5.504 -13.954 2.368 1.00 0.00 O ATOM 0 H ASP A 39 1.540 -11.126 3.203 1.00 0.00 H new ATOM 0 HA ASP A 39 4.112 -11.924 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.446 -12.719 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.264 -11.189 1.383 1.00 0.00 H new ATOM 609 N ILE A 40 4.932 -9.472 3.696 1.00 0.00 N ATOM 610 CA ILE A 40 5.257 -8.043 3.679 1.00 0.00 C ATOM 611 C ILE A 40 6.502 -7.797 2.820 1.00 0.00 C ATOM 612 O ILE A 40 7.424 -8.614 2.751 1.00 0.00 O ATOM 613 CB ILE A 40 5.394 -7.465 5.119 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.078 -7.694 5.903 1.00 0.00 C ATOM 615 CG2 ILE A 40 5.767 -5.963 5.075 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.934 -6.919 7.219 1.00 0.00 C ATOM 0 H ILE A 40 5.736 -10.062 3.910 1.00 0.00 H new ATOM 0 HA ILE A 40 4.429 -7.502 3.221 1.00 0.00 H new ATOM 0 HB ILE A 40 6.200 -7.987 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.242 -7.429 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.988 -8.758 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.857 -5.581 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.717 -5.839 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.990 -5.410 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.975 -7.158 7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.741 -7.199 7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.983 -5.849 7.018 1.00 0.00 H new ATOM 628 N SER A 41 6.522 -6.634 2.169 1.00 0.00 N ATOM 629 CA SER A 41 7.628 -6.027 1.467 1.00 0.00 C ATOM 630 C SER A 41 7.720 -4.596 1.986 1.00 0.00 C ATOM 631 O SER A 41 6.761 -3.842 1.842 1.00 0.00 O ATOM 632 CB SER A 41 7.283 -6.014 -0.015 1.00 0.00 C ATOM 633 OG SER A 41 7.313 -7.316 -0.560 1.00 0.00 O ATOM 0 H SER A 41 5.687 -6.050 2.122 1.00 0.00 H new ATOM 0 HA SER A 41 8.568 -6.558 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.293 -5.581 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.988 -5.377 -0.549 1.00 0.00 H new ATOM 0 HG SER A 41 7.086 -7.277 -1.513 1.00 0.00 H new ATOM 639 N VAL A 42 8.821 -4.218 2.619 1.00 0.00 N ATOM 640 CA VAL A 42 9.043 -2.913 3.218 1.00 0.00 C ATOM 641 C VAL A 42 10.291 -2.327 2.558 1.00 0.00 C ATOM 642 O VAL A 42 11.371 -2.236 3.142 1.00 0.00 O ATOM 643 CB VAL A 42 9.020 -3.044 4.755 1.00 0.00 C ATOM 644 CG1 VAL A 42 9.898 -4.163 5.336 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.324 -1.709 5.446 1.00 0.00 C ATOM 0 H VAL A 42 9.619 -4.842 2.733 1.00 0.00 H new ATOM 0 HA VAL A 42 8.254 -2.184 3.033 1.00 0.00 H new ATOM 0 HB VAL A 42 7.994 -3.341 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.809 -4.168 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.571 -5.125 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.938 -3.991 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.298 -1.845 6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.313 -1.362 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.577 -0.970 5.155 1.00 0.00 H new ATOM 655 N GLU A 43 10.143 -1.967 1.288 1.00 0.00 N ATOM 656 CA GLU A 43 11.247 -1.508 0.463 1.00 0.00 C ATOM 657 C GLU A 43 11.509 -0.039 0.814 1.00 0.00 C ATOM 658 O GLU A 43 10.572 0.732 1.076 1.00 0.00 O ATOM 659 CB GLU A 43 10.907 -1.633 -1.031 1.00 0.00 C ATOM 660 CG GLU A 43 10.243 -2.944 -1.481 1.00 0.00 C ATOM 661 CD GLU A 43 11.134 -4.178 -1.646 1.00 0.00 C ATOM 662 OE1 GLU A 43 12.327 -4.202 -1.274 1.00 0.00 O ATOM 663 OE2 GLU A 43 10.613 -5.144 -2.248 1.00 0.00 O ATOM 0 H GLU A 43 9.247 -1.987 0.802 1.00 0.00 H new ATOM 0 HA GLU A 43 12.129 -2.119 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.247 -0.808 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.827 -1.505 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.463 -3.189 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.749 -2.758 -2.435 1.00 0.00 H new ATOM 670 N GLU A 44 12.774 0.368 0.757 1.00 0.00 N ATOM 671 CA GLU A 44 13.183 1.765 0.817 1.00 0.00 C ATOM 672 C GLU A 44 12.603 2.518 -0.378 1.00 0.00 C ATOM 673 O GLU A 44 12.493 1.961 -1.475 1.00 0.00 O ATOM 674 CB GLU A 44 14.712 1.842 0.777 1.00 0.00 C ATOM 675 CG GLU A 44 15.360 1.247 2.029 1.00 0.00 C ATOM 676 CD GLU A 44 16.776 0.740 1.795 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.951 -0.328 1.164 1.00 0.00 O ATOM 678 OE2 GLU A 44 17.732 1.410 2.250 1.00 0.00 O ATOM 0 H GLU A 44 13.558 -0.278 0.666 1.00 0.00 H new ATOM 0 HA GLU A 44 12.816 2.216 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.077 1.313 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.018 2.883 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.378 2.003 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.743 0.425 2.392 1.00 0.00 H new ATOM 685 N ASN A 45 12.202 3.773 -0.177 1.00 0.00 N ATOM 686 CA ASN A 45 11.651 4.577 -1.265 1.00 0.00 C ATOM 687 C ASN A 45 12.813 5.140 -2.083 1.00 0.00 C ATOM 688 O ASN A 45 13.619 5.890 -1.520 1.00 0.00 O ATOM 689 CB ASN A 45 10.762 5.709 -0.755 1.00 0.00 C ATOM 690 CG ASN A 45 10.075 6.455 -1.899 1.00 0.00 C ATOM 691 OD1 ASN A 45 10.677 6.881 -2.880 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.767 6.606 -1.829 1.00 0.00 N ATOM 0 H ASN A 45 12.248 4.251 0.723 1.00 0.00 H new ATOM 0 HA ASN A 45 11.019 3.940 -1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.007 5.302 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.363 6.409 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.266 7.073 -2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.256 6.256 -1.019 1.00 0.00 H new ATOM 699 N PRO A 46 12.890 4.840 -3.392 1.00 0.00 N ATOM 700 CA PRO A 46 14.029 5.216 -4.209 1.00 0.00 C ATOM 701 C PRO A 46 14.180 6.732 -4.348 1.00 0.00 C ATOM 702 O PRO A 46 15.306 7.223 -4.384 1.00 0.00 O ATOM 703 CB PRO A 46 13.798 4.524 -5.559 1.00 0.00 C ATOM 704 CG PRO A 46 12.284 4.347 -5.635 1.00 0.00 C ATOM 705 CD PRO A 46 11.926 4.080 -4.178 1.00 0.00 C ATOM 0 HA PRO A 46 14.967 4.901 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.170 5.129 -6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.314 3.565 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.787 5.237 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.002 3.518 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.906 4.397 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.985 3.016 -3.948 1.00 0.00 H new ATOM 713 N LEU A 47 13.083 7.490 -4.462 1.00 0.00 N ATOM 714 CA LEU A 47 13.136 8.900 -4.844 1.00 0.00 C ATOM 715 C LEU A 47 12.385 9.752 -3.816 1.00 0.00 C ATOM 716 O LEU A 47 11.684 10.692 -4.200 1.00 0.00 O ATOM 717 CB LEU A 47 12.553 9.144 -6.237 1.00 0.00 C ATOM 718 CG LEU A 47 12.827 8.162 -7.375 1.00 0.00 C ATOM 719 CD1 LEU A 47 12.257 8.847 -8.607 1.00 0.00 C ATOM 720 CD2 LEU A 47 14.284 7.862 -7.678 1.00 0.00 C ATOM 0 H LEU A 47 12.139 7.142 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 47 14.187 9.188 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.471 9.213 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.903 10.123 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 47 12.393 7.203 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.409 8.212 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.190 9.021 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.763 9.800 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.345 7.153 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.796 8.784 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.758 7.433 -6.795 1.00 0.00 H new ATOM 732 N ALA A 48 12.496 9.451 -2.522 1.00 0.00 N ATOM 733 CA ALA A 48 11.695 10.121 -1.500 1.00 0.00 C ATOM 734 C ALA A 48 12.000 11.615 -1.469 1.00 0.00 C ATOM 735 O ALA A 48 11.085 12.418 -1.293 1.00 0.00 O ATOM 736 CB ALA A 48 11.940 9.516 -0.119 1.00 0.00 C ATOM 0 H ALA A 48 13.135 8.745 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 48 10.646 9.977 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.330 10.036 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.672 8.459 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.993 9.620 0.142 1.00 0.00 H new ATOM 830 N ALA A 55 8.273 9.927 -10.709 1.00 0.00 N ATOM 831 CA ALA A 55 8.751 8.562 -10.942 1.00 0.00 C ATOM 832 C ALA A 55 8.709 7.657 -9.705 1.00 0.00 C ATOM 833 O ALA A 55 8.749 6.443 -9.895 1.00 0.00 O ATOM 834 CB ALA A 55 10.135 8.593 -11.589 1.00 0.00 C ATOM 0 HA ALA A 55 8.047 8.100 -11.634 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.481 7.573 -11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.080 9.120 -12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.833 9.108 -10.930 1.00 0.00 H new ATOM 840 N VAL A 56 8.523 8.184 -8.483 1.00 0.00 N ATOM 841 CA VAL A 56 8.215 7.363 -7.299 1.00 0.00 C ATOM 842 C VAL A 56 7.066 6.389 -7.659 1.00 0.00 C ATOM 843 O VAL A 56 7.204 5.189 -7.434 1.00 0.00 O ATOM 844 CB VAL A 56 7.818 8.230 -6.060 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.775 7.619 -5.106 1.00 0.00 C ATOM 846 CG2 VAL A 56 9.026 8.671 -5.233 1.00 0.00 C ATOM 0 H VAL A 56 8.581 9.184 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 56 9.113 6.812 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 56 7.343 9.088 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.581 8.312 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.849 7.433 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.155 6.680 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.689 9.269 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.557 7.792 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.695 9.266 -5.855 1.00 0.00 H new ATOM 856 N PRO A 57 5.920 6.858 -8.203 1.00 0.00 N ATOM 857 CA PRO A 57 4.806 5.966 -8.493 1.00 0.00 C ATOM 858 C PRO A 57 5.098 5.002 -9.640 1.00 0.00 C ATOM 859 O PRO A 57 4.553 3.902 -9.680 1.00 0.00 O ATOM 860 CB PRO A 57 3.649 6.870 -8.885 1.00 0.00 C ATOM 861 CG PRO A 57 4.099 8.314 -8.768 1.00 0.00 C ATOM 862 CD PRO A 57 5.605 8.220 -8.629 1.00 0.00 C ATOM 0 HA PRO A 57 4.596 5.346 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.330 6.655 -9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.791 6.688 -8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.815 8.893 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.648 8.804 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.093 8.448 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.969 8.944 -7.900 1.00 0.00 H new ATOM 870 N ASN A 58 5.932 5.416 -10.598 1.00 0.00 N ATOM 871 CA ASN A 58 6.256 4.569 -11.733 1.00 0.00 C ATOM 872 C ASN A 58 7.112 3.374 -11.298 1.00 0.00 C ATOM 873 O ASN A 58 7.115 2.353 -11.984 1.00 0.00 O ATOM 874 CB ASN A 58 6.927 5.384 -12.844 1.00 0.00 C ATOM 875 CG ASN A 58 6.829 4.629 -14.163 1.00 0.00 C ATOM 876 OD1 ASN A 58 5.743 4.427 -14.696 1.00 0.00 O ATOM 877 ND2 ASN A 58 7.939 4.231 -14.741 1.00 0.00 N ATOM 0 H ASN A 58 6.389 6.328 -10.605 1.00 0.00 H new ATOM 0 HA ASN A 58 5.329 4.167 -12.141 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.447 6.358 -12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.972 5.566 -12.594 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.902 3.750 -15.640 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.838 4.403 -14.291 1.00 0.00 H new ATOM 884 N PHE A 59 7.810 3.487 -10.158 1.00 0.00 N ATOM 885 CA PHE A 59 8.391 2.355 -9.451 1.00 0.00 C ATOM 886 C PHE A 59 7.264 1.494 -8.880 1.00 0.00 C ATOM 887 O PHE A 59 7.128 0.365 -9.316 1.00 0.00 O ATOM 888 CB PHE A 59 9.409 2.804 -8.384 1.00 0.00 C ATOM 889 CG PHE A 59 9.540 1.855 -7.203 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.010 0.542 -7.394 1.00 0.00 C ATOM 891 CD2 PHE A 59 9.125 2.260 -5.919 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.072 -0.355 -6.314 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.186 1.355 -4.844 1.00 0.00 C ATOM 894 CZ PHE A 59 9.648 0.046 -5.037 1.00 0.00 C ATOM 0 H PHE A 59 7.984 4.383 -9.702 1.00 0.00 H new ATOM 0 HA PHE A 59 8.964 1.746 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.386 2.916 -8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.119 3.788 -8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.325 0.222 -8.376 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.760 3.264 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.447 -1.356 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.874 1.672 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.678 -0.648 -4.210 1.00 0.00 H new ATOM 904 N VAL A 60 6.439 1.970 -7.941 1.00 0.00 N ATOM 905 CA VAL A 60 5.490 1.081 -7.253 1.00 0.00 C ATOM 906 C VAL A 60 4.465 0.404 -8.179 1.00 0.00 C ATOM 907 O VAL A 60 4.014 -0.695 -7.869 1.00 0.00 O ATOM 908 CB VAL A 60 4.802 1.785 -6.067 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.698 1.786 -4.819 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.375 3.222 -6.321 1.00 0.00 C ATOM 0 H VAL A 60 6.406 2.945 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 60 6.102 0.269 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 60 3.898 1.195 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.183 2.290 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.920 0.759 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.628 2.310 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.902 3.625 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.250 3.823 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.667 3.250 -7.149 1.00 0.00 H new ATOM 920 N LYS A 61 4.120 0.979 -9.331 1.00 0.00 N ATOM 921 CA LYS A 61 3.351 0.295 -10.378 1.00 0.00 C ATOM 922 C LYS A 61 4.041 -0.965 -10.918 1.00 0.00 C ATOM 923 O LYS A 61 3.357 -1.842 -11.439 1.00 0.00 O ATOM 924 CB LYS A 61 3.083 1.234 -11.557 1.00 0.00 C ATOM 925 CG LYS A 61 1.719 1.935 -11.557 1.00 0.00 C ATOM 926 CD LYS A 61 1.449 2.589 -12.915 1.00 0.00 C ATOM 927 CE LYS A 61 2.590 3.459 -13.462 1.00 0.00 C ATOM 928 NZ LYS A 61 3.528 2.709 -14.330 1.00 0.00 N ATOM 0 H LYS A 61 4.367 1.940 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 61 2.419 -0.007 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.862 1.996 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.176 0.662 -12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.933 1.214 -11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.692 2.690 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.232 1.805 -13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.553 3.204 -12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.167 4.290 -14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.143 3.890 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.294 3.340 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.931 1.912 -13.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.018 2.348 -15.162 1.00 0.00 H new ATOM 942 N GLU A 62 5.370 -1.060 -10.862 1.00 0.00 N ATOM 943 CA GLU A 62 6.074 -2.286 -11.214 1.00 0.00 C ATOM 944 C GLU A 62 5.894 -3.332 -10.121 1.00 0.00 C ATOM 945 O GLU A 62 5.990 -4.520 -10.416 1.00 0.00 O ATOM 946 CB GLU A 62 7.559 -2.033 -11.548 1.00 0.00 C ATOM 947 CG GLU A 62 8.569 -2.029 -10.380 1.00 0.00 C ATOM 948 CD GLU A 62 9.430 -3.294 -10.288 1.00 0.00 C ATOM 949 OE1 GLU A 62 8.917 -4.374 -9.909 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.664 -3.201 -10.498 1.00 0.00 O ATOM 0 H GLU A 62 5.981 -0.295 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 62 5.629 -2.679 -12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.876 -2.793 -12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.629 -1.070 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.224 -1.164 -10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.024 -1.905 -9.444 1.00 0.00 H new ATOM 957 N LYS A 63 5.562 -2.937 -8.886 1.00 0.00 N ATOM 958 CA LYS A 63 5.433 -3.867 -7.767 1.00 0.00 C ATOM 959 C LYS A 63 4.034 -4.494 -7.755 1.00 0.00 C ATOM 960 O LYS A 63 3.495 -4.749 -6.679 1.00 0.00 O ATOM 961 CB LYS A 63 5.769 -3.143 -6.444 1.00 0.00 C ATOM 962 CG LYS A 63 7.165 -2.490 -6.409 1.00 0.00 C ATOM 963 CD LYS A 63 8.336 -3.492 -6.430 1.00 0.00 C ATOM 964 CE LYS A 63 8.824 -3.756 -4.999 1.00 0.00 C ATOM 965 NZ LYS A 63 9.755 -4.900 -4.870 1.00 0.00 N ATOM 0 H LYS A 63 5.376 -1.965 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 63 6.145 -4.684 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.018 -2.374 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.696 -3.858 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.261 -1.820 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.244 -1.876 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.018 -4.426 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.152 -3.098 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.317 -2.859 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.959 -3.934 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.127 -4.937 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.250 -5.784 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.543 -4.784 -5.539 1.00 0.00 H new ATOM 979 N GLY A 64 3.496 -4.796 -8.943 1.00 0.00 N ATOM 980 CA GLY A 64 2.243 -5.476 -9.258 1.00 0.00 C ATOM 981 C GLY A 64 1.137 -5.307 -8.219 1.00 0.00 C ATOM 982 O GLY A 64 0.505 -6.299 -7.854 1.00 0.00 O ATOM 0 H GLY A 64 3.987 -4.539 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.879 -5.108 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.446 -6.540 -9.381 1.00 0.00 H new ATOM 986 N ALA A 65 0.950 -4.100 -7.682 1.00 0.00 N ATOM 987 CA ALA A 65 0.093 -3.889 -6.531 1.00 0.00 C ATOM 988 C ALA A 65 -1.345 -3.577 -6.927 1.00 0.00 C ATOM 989 O ALA A 65 -1.619 -3.364 -8.108 1.00 0.00 O ATOM 990 CB ALA A 65 0.696 -2.780 -5.688 1.00 0.00 C ATOM 0 H ALA A 65 1.389 -3.250 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 65 0.041 -4.810 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.067 -2.604 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.695 -3.072 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.760 -1.867 -6.280 1.00 0.00 H new ATOM 996 N GLU A 66 -2.257 -3.516 -5.950 1.00 0.00 N ATOM 997 CA GLU A 66 -3.697 -3.517 -6.183 1.00 0.00 C ATOM 998 C GLU A 66 -4.430 -2.533 -5.275 1.00 0.00 C ATOM 999 O GLU A 66 -5.477 -2.030 -5.687 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.237 -4.931 -5.983 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.082 -5.771 -7.251 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.310 -7.233 -6.903 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -5.453 -7.616 -6.570 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -3.316 -7.976 -6.735 1.00 0.00 O ATOM 0 H GLU A 66 -2.007 -3.464 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.874 -3.192 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.708 -5.411 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.289 -4.884 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.797 -5.447 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.087 -5.635 -7.674 1.00 0.00 H new ATOM 1011 N LEU A 67 -3.891 -2.233 -4.086 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.520 -1.352 -3.114 1.00 0.00 C ATOM 1013 C LEU A 67 -3.470 -0.471 -2.414 1.00 0.00 C ATOM 1014 O LEU A 67 -2.302 -0.858 -2.334 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.323 -2.233 -2.128 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.178 -1.476 -1.108 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.336 -0.753 -1.787 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.822 -2.405 -0.094 1.00 0.00 C ATOM 0 H LEU A 67 -2.993 -2.604 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.205 -0.659 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.974 -2.890 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.624 -2.871 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.492 -0.783 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.925 -0.225 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.944 -0.038 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.968 -1.479 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.418 -1.821 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.465 -3.118 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.046 -2.944 0.450 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.843 0.711 -1.900 1.00 0.00 N ATOM 1031 CA VAL A 68 -2.900 1.705 -1.362 1.00 0.00 C ATOM 1032 C VAL A 68 -3.573 2.524 -0.247 1.00 0.00 C ATOM 1033 O VAL A 68 -4.444 3.342 -0.530 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.409 2.640 -2.492 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.136 3.376 -2.048 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.156 1.951 -3.837 1.00 0.00 C ATOM 0 H VAL A 68 -4.818 1.007 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.040 1.183 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.229 3.337 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.797 4.032 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.350 3.969 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.356 2.649 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.815 2.687 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.393 1.182 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.080 1.492 -4.190 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.291 2.274 1.032 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.971 2.928 2.157 1.00 0.00 C ATOM 1048 C ILE A 69 -3.158 4.181 2.522 1.00 0.00 C ATOM 1049 O ILE A 69 -2.126 4.056 3.185 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.151 1.921 3.329 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.013 0.709 2.890 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.811 2.588 4.549 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.055 -0.439 3.913 1.00 0.00 C ATOM 0 H ILE A 69 -2.577 1.605 1.322 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.980 3.248 1.898 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.155 1.578 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.031 1.051 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.626 0.325 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.921 1.856 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.187 3.412 4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.793 2.969 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.679 -1.246 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.045 -0.811 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.471 -0.074 4.852 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.572 5.389 2.105 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.755 6.608 2.240 1.00 0.00 C ATOM 1067 C VAL A 70 -3.476 7.696 3.053 1.00 0.00 C ATOM 1068 O VAL A 70 -4.643 7.542 3.397 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.327 7.083 0.844 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.508 6.010 0.120 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.540 7.458 -0.013 1.00 0.00 C ATOM 0 H VAL A 70 -4.479 5.549 1.666 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.855 6.379 2.811 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.707 7.968 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.220 6.376 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.613 5.783 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.108 5.107 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.203 7.790 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.188 6.589 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.093 8.262 0.472 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.809 8.795 3.409 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.436 9.898 4.136 1.00 0.00 C ATOM 1083 C ARG A 71 -3.430 11.101 3.199 1.00 0.00 C ATOM 1084 O ARG A 71 -4.201 11.140 2.237 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.730 10.119 5.495 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.817 8.926 6.454 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.248 9.235 7.846 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.167 10.080 8.612 1.00 0.00 N ATOM 1089 CZ ARG A 71 -2.925 10.954 9.586 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -1.681 11.196 9.999 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -3.960 11.562 10.143 1.00 0.00 N ATOM 0 H ARG A 71 -1.822 8.945 3.202 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.471 9.691 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.680 10.347 5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.166 10.992 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.859 8.621 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.277 8.082 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.069 8.304 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.285 9.736 7.746 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.150 9.983 8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.896 10.708 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.514 11.869 10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.906 11.355 9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.812 12.238 10.892 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.489 12.024 3.368 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.326 13.227 2.571 1.00 0.00 C ATOM 1107 C GLY A 72 -1.546 12.988 1.276 1.00 0.00 C ATOM 1108 O GLY A 72 -0.553 13.667 1.000 1.00 0.00 O ATOM 0 H GLY A 72 -1.786 11.946 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.309 13.630 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.810 13.982 3.165 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.981 12.037 0.453 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.570 11.858 -0.946 1.00 0.00 C ATOM 1114 C ILE A 73 -1.863 13.133 -1.799 1.00 0.00 C ATOM 1115 O ILE A 73 -2.154 14.207 -1.266 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.193 10.534 -1.475 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.633 10.084 -2.843 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.726 10.593 -1.555 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.726 8.578 -3.098 1.00 0.00 C ATOM 0 H ILE A 73 -2.660 11.337 0.752 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.489 11.749 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.901 9.791 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.171 10.608 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.589 10.388 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.108 9.643 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.135 10.782 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.025 11.396 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.311 8.349 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.163 8.044 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.770 8.267 -3.064 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.726 13.084 -3.126 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.134 14.145 -4.044 1.00 0.00 C ATOM 1133 C GLY A 74 -2.415 13.544 -5.421 1.00 0.00 C ATOM 1134 O GLY A 74 -2.013 12.409 -5.686 1.00 0.00 O ATOM 0 H GLY A 74 -1.316 12.281 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.025 14.646 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.350 14.899 -4.117 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.090 14.286 -6.307 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.636 13.747 -7.557 1.00 0.00 C ATOM 1140 C ARG A 75 -2.602 13.012 -8.408 1.00 0.00 C ATOM 1141 O ARG A 75 -2.877 11.898 -8.832 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.324 14.855 -8.372 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.051 14.289 -9.606 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.353 13.550 -9.242 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.512 14.415 -9.491 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.984 14.730 -10.700 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.589 14.061 -11.782 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -8.803 15.765 -10.800 1.00 0.00 N ATOM 0 H ARG A 75 -3.273 15.281 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.376 13.001 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.038 15.382 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.581 15.586 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.280 15.104 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.385 13.606 -10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.438 12.637 -9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.330 13.253 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.993 14.805 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.918 13.298 -11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.957 14.312 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.057 16.297 -9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.180 16.031 -11.710 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.410 13.575 -8.618 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.329 12.934 -9.383 1.00 0.00 C ATOM 1164 C ARG A 76 0.015 11.510 -8.944 1.00 0.00 C ATOM 1165 O ARG A 76 0.661 10.783 -9.703 1.00 0.00 O ATOM 1166 CB ARG A 76 0.925 13.802 -9.317 1.00 0.00 C ATOM 1167 CG ARG A 76 1.472 13.869 -7.882 1.00 0.00 C ATOM 1168 CD ARG A 76 2.326 15.125 -7.732 1.00 0.00 C ATOM 1169 NE ARG A 76 2.618 15.406 -6.317 1.00 0.00 N ATOM 1170 CZ ARG A 76 1.767 15.893 -5.402 1.00 0.00 C ATOM 1171 NH1 ARG A 76 0.543 16.300 -5.734 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.158 15.946 -4.135 1.00 0.00 N ATOM 0 H ARG A 76 -1.162 14.497 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.703 12.846 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.688 13.397 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.695 14.807 -9.670 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.650 13.885 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.066 12.982 -7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.260 15.000 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.807 15.975 -8.175 1.00 0.00 H new ATOM 0 HE ARG A 76 3.567 15.210 -5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.233 16.245 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.084 16.666 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.089 15.620 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.528 16.313 -3.422 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.321 11.128 -7.714 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.090 9.796 -7.194 1.00 0.00 C ATOM 1188 C ALA A 77 -1.339 8.929 -7.362 1.00 0.00 C ATOM 1189 O ALA A 77 -1.208 7.779 -7.778 1.00 0.00 O ATOM 1190 CB ALA A 77 0.337 9.927 -5.739 1.00 0.00 C ATOM 0 H ALA A 77 -0.769 11.752 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 77 0.703 9.295 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.518 8.936 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.251 10.518 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.452 10.421 -5.171 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.538 9.482 -7.140 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.798 8.848 -7.542 1.00 0.00 C ATOM 1198 C ILE A 78 -3.668 8.391 -9.007 1.00 0.00 C ATOM 1199 O ILE A 78 -3.874 7.220 -9.306 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.003 9.789 -7.302 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.109 10.277 -5.839 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.323 9.132 -7.728 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.295 9.192 -4.771 1.00 0.00 C ATOM 0 H ILE A 78 -2.661 10.382 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.993 7.970 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.821 10.664 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.207 10.840 -5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.946 10.972 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.148 9.821 -7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.282 8.888 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.478 8.220 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.356 9.657 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.214 8.640 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.448 8.507 -4.797 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.173 9.271 -9.886 1.00 0.00 N ATOM 1216 CA ALA A 79 -2.977 9.031 -11.310 1.00 0.00 C ATOM 1217 C ALA A 79 -2.071 7.835 -11.640 1.00 0.00 C ATOM 1218 O ALA A 79 -2.098 7.353 -12.771 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.354 10.288 -11.922 1.00 0.00 C ATOM 0 H ALA A 79 -2.887 10.209 -9.606 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.958 8.795 -11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.197 10.133 -12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.023 11.135 -11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.398 10.492 -11.440 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.216 7.386 -10.711 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.407 6.190 -10.922 1.00 0.00 C ATOM 1227 C ALA A 80 -1.297 4.973 -10.825 1.00 0.00 C ATOM 1228 O ALA A 80 -1.372 4.172 -11.742 1.00 0.00 O ATOM 1229 CB ALA A 80 0.691 6.068 -9.864 1.00 0.00 C ATOM 0 H ALA A 80 -1.071 7.837 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 80 0.058 6.262 -11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.276 5.167 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.343 6.940 -9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.238 6.010 -8.874 1.00 0.00 H new ATOM 1235 N PHE A 81 -1.957 4.844 -9.687 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.817 3.757 -9.362 1.00 0.00 C ATOM 1237 C PHE A 81 -3.964 3.700 -10.367 1.00 0.00 C ATOM 1238 O PHE A 81 -4.299 2.630 -10.851 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.230 3.989 -7.908 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.074 4.201 -6.939 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -0.904 3.415 -7.028 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.184 5.166 -5.920 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.136 3.576 -6.098 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.150 5.315 -4.979 1.00 0.00 C ATOM 1245 CZ PHE A 81 0.000 4.510 -5.058 1.00 0.00 C ATOM 0 H PHE A 81 -1.894 5.536 -8.940 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.350 2.775 -9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.885 4.860 -7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.815 3.134 -7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.808 2.684 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.062 5.792 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.036 2.985 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.239 6.050 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.780 4.610 -4.318 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.496 4.847 -10.787 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.462 4.940 -11.873 1.00 0.00 C ATOM 1257 C GLU A 82 -4.927 4.454 -13.226 1.00 0.00 C ATOM 1258 O GLU A 82 -5.745 4.228 -14.116 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.948 6.388 -12.001 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.885 6.762 -10.844 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.616 8.081 -11.088 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -6.969 9.048 -11.563 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.831 8.136 -10.800 1.00 0.00 O ATOM 0 H GLU A 82 -4.262 5.750 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.284 4.273 -11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.092 7.062 -12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.468 6.518 -12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.616 5.966 -10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.308 6.835 -9.922 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.614 4.257 -13.430 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.146 3.585 -14.641 1.00 0.00 C ATOM 1272 C ALA A 83 -3.537 2.105 -14.661 1.00 0.00 C ATOM 1273 O ALA A 83 -3.547 1.509 -15.738 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.626 3.675 -14.781 1.00 0.00 C ATOM 0 H ALA A 83 -2.878 4.547 -12.786 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.627 4.100 -15.473 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.314 3.165 -15.692 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.327 4.722 -14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.153 3.203 -13.920 1.00 0.00 H new ATOM 1280 N MET A 84 -3.792 1.525 -13.486 1.00 0.00 N ATOM 1281 CA MET A 84 -4.135 0.118 -13.301 1.00 0.00 C ATOM 1282 C MET A 84 -5.379 -0.086 -12.424 1.00 0.00 C ATOM 1283 O MET A 84 -5.584 -1.174 -11.885 1.00 0.00 O ATOM 1284 CB MET A 84 -2.906 -0.671 -12.814 1.00 0.00 C ATOM 1285 CG MET A 84 -1.884 0.078 -11.959 1.00 0.00 C ATOM 1286 SD MET A 84 -0.532 -1.008 -11.431 1.00 0.00 S ATOM 1287 CE MET A 84 0.215 -1.525 -12.992 1.00 0.00 C ATOM 0 H MET A 84 -3.764 2.043 -12.608 1.00 0.00 H new ATOM 0 HA MET A 84 -4.420 -0.288 -14.272 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.261 -1.528 -12.242 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.389 -1.064 -13.690 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.478 0.916 -12.526 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.379 0.496 -11.083 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.201 -1.948 -12.801 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.416 -2.276 -13.466 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.312 -0.663 -13.652 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.219 0.938 -12.241 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.420 0.810 -11.419 1.00 0.00 C ATOM 1299 C GLY A 85 -7.116 0.411 -9.976 1.00 0.00 C ATOM 1300 O GLY A 85 -7.995 -0.125 -9.291 1.00 0.00 O ATOM 0 H GLY A 85 -6.087 1.862 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.959 1.758 -11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.081 0.066 -11.864 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.910 0.739 -9.506 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.328 0.295 -8.255 1.00 0.00 C ATOM 1306 C VAL A 86 -5.996 1.172 -7.211 1.00 0.00 C ATOM 1307 O VAL A 86 -5.945 2.404 -7.260 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.774 0.382 -8.339 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.014 0.432 -6.995 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.310 -0.881 -9.041 1.00 0.00 C ATOM 0 H VAL A 86 -5.285 1.357 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.501 -0.750 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.555 1.322 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.942 0.491 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.331 1.308 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.231 -0.468 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.223 -0.871 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.621 -1.753 -8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.752 -0.927 -10.036 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.806 0.531 -6.380 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.690 1.222 -5.461 1.00 0.00 C ATOM 1322 C LYS A 87 -6.855 1.969 -4.427 1.00 0.00 C ATOM 1323 O LYS A 87 -5.767 1.529 -4.048 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.661 0.199 -4.868 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.631 0.826 -3.859 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.937 0.048 -3.706 1.00 0.00 C ATOM 1327 CE LYS A 87 -10.754 -1.440 -3.392 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.052 -2.068 -3.089 1.00 0.00 N ATOM 0 H LYS A 87 -6.866 -0.486 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.294 1.979 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.230 -0.266 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.095 -0.593 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.140 0.892 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.859 1.845 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.527 0.505 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.513 0.145 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.290 -1.942 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.080 -1.558 -2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.909 -3.076 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.480 -1.600 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.684 -1.972 -3.909 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.361 3.093 -3.940 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.631 3.948 -3.036 1.00 0.00 C ATOM 1344 C VAL A 88 -7.628 4.539 -2.042 1.00 0.00 C ATOM 1345 O VAL A 88 -8.338 5.493 -2.330 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.763 4.916 -3.870 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -6.502 5.711 -4.958 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.941 5.869 -2.992 1.00 0.00 C ATOM 0 H VAL A 88 -8.296 3.433 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.903 3.435 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.094 4.241 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.796 6.357 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.955 5.020 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.280 6.320 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.349 6.528 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.613 6.466 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.277 5.290 -2.350 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.713 3.936 -0.862 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.369 4.447 0.332 1.00 0.00 C ATOM 1360 C ILE A 89 -7.493 5.567 0.880 1.00 0.00 C ATOM 1361 O ILE A 89 -6.284 5.393 1.056 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.504 3.292 1.351 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.511 2.262 0.812 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.888 3.703 2.781 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.421 0.903 1.494 1.00 0.00 C ATOM 0 H ILE A 89 -7.298 3.017 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.366 4.833 0.121 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.504 2.870 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.520 2.655 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.348 2.133 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.954 2.815 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -8.130 4.376 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.853 4.211 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.161 0.229 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.424 0.488 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.614 1.018 2.561 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.105 6.690 1.247 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.437 7.756 1.997 1.00 0.00 C ATOM 1379 C LYS A 90 -7.993 7.833 3.423 1.00 0.00 C ATOM 1380 O LYS A 90 -8.915 7.091 3.757 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.604 9.092 1.275 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.843 9.298 -0.049 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.755 9.507 -1.275 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.394 8.162 -1.599 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.240 8.125 -2.807 1.00 0.00 N ATOM 0 H LYS A 90 -9.082 6.889 1.033 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.372 7.530 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.666 9.233 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.301 9.883 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.186 10.162 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.206 8.432 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.519 10.254 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.179 9.873 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.601 7.423 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.999 7.854 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.303 7.148 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.193 8.472 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.822 8.730 -3.542 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.418 8.687 4.271 1.00 0.00 N ATOM 1400 CA GLY A 91 -8.001 9.036 5.562 1.00 0.00 C ATOM 1401 C GLY A 91 -7.484 8.235 6.757 1.00 0.00 C ATOM 1402 O GLY A 91 -7.912 8.531 7.872 1.00 0.00 O ATOM 0 H GLY A 91 -6.533 9.156 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.818 10.094 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.081 8.906 5.500 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.600 7.245 6.569 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.230 6.323 7.654 1.00 0.00 C ATOM 1408 C ALA A 92 -5.401 7.005 8.749 1.00 0.00 C ATOM 1409 O ALA A 92 -5.108 8.196 8.667 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.443 5.124 7.107 1.00 0.00 C ATOM 0 H ALA A 92 -6.130 7.062 5.682 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.166 5.984 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.180 4.456 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.056 4.586 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.533 5.477 6.621 1.00 0.00 H new ATOM 1416 N SER A 93 -4.925 6.220 9.715 1.00 0.00 N ATOM 1417 CA SER A 93 -3.890 6.551 10.679 1.00 0.00 C ATOM 1418 C SER A 93 -3.540 5.244 11.408 1.00 0.00 C ATOM 1419 O SER A 93 -4.396 4.363 11.515 1.00 0.00 O ATOM 1420 CB SER A 93 -4.343 7.680 11.627 1.00 0.00 C ATOM 1421 OG SER A 93 -5.728 7.678 11.923 1.00 0.00 O ATOM 0 H SER A 93 -5.280 5.273 9.849 1.00 0.00 H new ATOM 0 HA SER A 93 -2.999 6.947 10.192 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.785 7.600 12.560 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.081 8.639 11.180 1.00 0.00 H new ATOM 0 HG SER A 93 -5.934 8.420 12.529 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.319 5.108 11.922 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.906 3.976 12.747 1.00 0.00 C ATOM 1429 C GLY A 94 -0.568 3.404 12.297 1.00 0.00 C ATOM 1430 O GLY A 94 0.156 4.037 11.526 1.00 0.00 O ATOM 0 H GLY A 94 -1.578 5.793 11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.834 4.292 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.667 3.197 12.702 1.00 0.00 H new ATOM 1434 N THR A 95 -0.185 2.241 12.813 1.00 0.00 N ATOM 1435 CA THR A 95 0.912 1.466 12.249 1.00 0.00 C ATOM 1436 C THR A 95 0.422 0.632 11.068 1.00 0.00 C ATOM 1437 O THR A 95 -0.784 0.506 10.851 1.00 0.00 O ATOM 1438 CB THR A 95 1.541 0.592 13.345 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.537 -0.064 14.092 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.364 1.453 14.297 1.00 0.00 C ATOM 0 H THR A 95 -0.623 1.812 13.628 1.00 0.00 H new ATOM 0 HA THR A 95 1.681 2.140 11.871 1.00 0.00 H new ATOM 0 HB THR A 95 2.181 -0.146 12.860 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.954 -0.618 14.785 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.805 0.822 15.069 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.157 1.954 13.741 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.720 2.199 14.762 1.00 0.00 H new ATOM 1448 N VAL A 96 1.347 0.038 10.310 1.00 0.00 N ATOM 1449 CA VAL A 96 1.030 -0.869 9.216 1.00 0.00 C ATOM 1450 C VAL A 96 0.149 -1.998 9.722 1.00 0.00 C ATOM 1451 O VAL A 96 -0.929 -2.216 9.175 1.00 0.00 O ATOM 1452 CB VAL A 96 2.329 -1.383 8.561 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.232 -2.741 7.856 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.762 -0.355 7.527 1.00 0.00 C ATOM 0 H VAL A 96 2.348 0.178 10.444 1.00 0.00 H new ATOM 0 HA VAL A 96 0.470 -0.339 8.445 1.00 0.00 H new ATOM 0 HB VAL A 96 3.037 -1.524 9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.202 -3.002 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.933 -3.504 8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.492 -2.685 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.680 -0.689 7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.979 -0.241 6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.938 0.603 8.017 1.00 0.00 H new ATOM 1464 N GLU A 97 0.597 -2.692 10.770 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.101 -3.867 11.278 1.00 0.00 C ATOM 1466 C GLU A 97 -1.532 -3.567 11.738 1.00 0.00 C ATOM 1467 O GLU A 97 -2.324 -4.486 11.943 1.00 0.00 O ATOM 1468 CB GLU A 97 0.678 -4.519 12.419 1.00 0.00 C ATOM 1469 CG GLU A 97 0.887 -3.593 13.623 1.00 0.00 C ATOM 1470 CD GLU A 97 0.976 -4.393 14.919 1.00 0.00 C ATOM 1471 OE1 GLU A 97 -0.091 -4.857 15.388 1.00 0.00 O ATOM 1472 OE2 GLU A 97 2.086 -4.619 15.446 1.00 0.00 O ATOM 0 H GLU A 97 1.446 -2.456 11.284 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.167 -4.558 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.148 -5.413 12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.650 -4.843 12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.800 -3.013 13.486 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.064 -2.882 13.686 1.00 0.00 H new ATOM 1479 N GLU A 98 -1.846 -2.296 11.957 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.113 -1.826 12.460 1.00 0.00 C ATOM 1481 C GLU A 98 -3.953 -1.339 11.287 1.00 0.00 C ATOM 1482 O GLU A 98 -5.067 -1.815 11.124 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.851 -0.769 13.536 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.140 -0.385 14.265 1.00 0.00 C ATOM 1485 CD GLU A 98 -3.834 0.212 15.635 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -3.349 -0.522 16.525 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.082 1.427 15.819 1.00 0.00 O ATOM 0 H GLU A 98 -1.188 -1.537 11.778 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.689 -2.617 12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.125 -1.150 14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.412 0.117 13.078 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.700 0.334 13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.773 -1.265 14.381 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.429 -0.456 10.433 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.089 0.071 9.245 1.00 0.00 C ATOM 1496 C VAL A 99 -4.556 -1.050 8.312 1.00 0.00 C ATOM 1497 O VAL A 99 -5.653 -0.962 7.755 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.106 1.048 8.567 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.488 1.391 7.140 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.098 2.383 9.320 1.00 0.00 C ATOM 0 H VAL A 99 -2.492 -0.075 10.560 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.000 0.605 9.516 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.141 0.541 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.755 2.082 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.511 0.481 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.473 1.857 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.402 3.069 8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.099 2.814 9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.787 2.217 10.351 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.744 -2.099 8.147 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.111 -3.304 7.414 1.00 0.00 C ATOM 1512 C VAL A 100 -5.409 -3.827 8.026 1.00 0.00 C ATOM 1513 O VAL A 100 -6.420 -3.894 7.327 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.933 -4.310 7.462 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.276 -5.723 6.973 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.776 -3.820 6.581 1.00 0.00 C ATOM 0 H VAL A 100 -2.798 -2.130 8.527 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.294 -3.118 6.356 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.670 -4.364 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.392 -6.357 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.071 -6.139 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.609 -5.678 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.956 -4.537 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.119 -3.724 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.430 -2.851 6.941 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.414 -4.149 9.322 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.613 -4.689 9.951 1.00 0.00 C ATOM 1528 C ASN A 101 -7.783 -3.699 9.875 1.00 0.00 C ATOM 1529 O ASN A 101 -8.891 -4.132 9.584 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.335 -5.080 11.411 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.644 -5.382 12.132 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.318 -6.363 11.837 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -8.055 -4.541 13.067 1.00 0.00 N ATOM 0 H ASN A 101 -4.613 -4.046 9.945 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.897 -5.585 9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.683 -5.953 11.444 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.810 -4.271 11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.939 -4.706 13.549 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.488 -3.727 13.306 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.577 -2.389 10.085 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.665 -1.408 10.033 1.00 0.00 C ATOM 1542 C GLN A 102 -9.402 -1.491 8.691 1.00 0.00 C ATOM 1543 O GLN A 102 -10.625 -1.351 8.651 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.210 0.045 10.317 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.517 0.258 11.679 1.00 0.00 C ATOM 1546 CD GLN A 102 -7.742 1.644 12.302 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.828 2.222 12.233 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -6.751 2.195 12.983 1.00 0.00 N ATOM 0 H GLN A 102 -6.663 -1.987 10.293 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.348 -1.672 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.527 0.357 9.527 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.080 0.699 10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.873 -0.501 12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.446 0.099 11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.849 1.722 13.044 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -6.888 3.093 13.447 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.691 -1.734 7.589 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.331 -1.923 6.301 1.00 0.00 C ATOM 1559 C TYR A 103 -9.949 -3.295 6.165 1.00 0.00 C ATOM 1560 O TYR A 103 -11.119 -3.371 5.792 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.356 -1.619 5.173 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.829 -2.119 3.824 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -10.041 -1.650 3.281 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.118 -3.144 3.176 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.550 -2.212 2.097 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.622 -3.716 1.998 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.848 -3.259 1.461 1.00 0.00 C ATOM 1568 OH TYR A 103 -10.359 -3.840 0.342 1.00 0.00 O ATOM 0 H TYR A 103 -7.674 -1.803 7.570 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.156 -1.214 6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.198 -0.542 5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.392 -2.072 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.581 -0.856 3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.181 -3.492 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.474 -1.844 1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.075 -4.504 1.502 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.750 -4.542 0.031 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.198 -4.351 6.467 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.663 -5.712 6.299 1.00 0.00 C ATOM 1580 C LEU A 104 -10.921 -5.973 7.141 1.00 0.00 C ATOM 1581 O LEU A 104 -11.721 -6.834 6.776 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.544 -6.702 6.673 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.598 -7.002 5.497 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.610 -5.904 5.125 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.764 -8.245 5.799 1.00 0.00 C ATOM 0 H LEU A 104 -8.249 -4.280 6.835 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.927 -5.859 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.967 -6.295 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.990 -7.633 7.022 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.279 -7.122 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.000 -6.233 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.156 -5.003 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.966 -5.689 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.098 -8.449 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.173 -8.077 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.425 -9.098 5.953 1.00 0.00 H new ATOM 1597 N SER A 105 -11.111 -5.224 8.235 1.00 0.00 N ATOM 1598 CA SER A 105 -12.302 -5.327 9.078 1.00 0.00 C ATOM 1599 C SER A 105 -13.486 -4.575 8.478 1.00 0.00 C ATOM 1600 O SER A 105 -14.627 -4.983 8.707 1.00 0.00 O ATOM 1601 CB SER A 105 -12.030 -4.869 10.522 1.00 0.00 C ATOM 1602 OG SER A 105 -12.123 -5.972 11.408 1.00 0.00 O ATOM 0 H SER A 105 -10.439 -4.528 8.559 1.00 0.00 H new ATOM 0 HA SER A 105 -12.566 -6.384 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.039 -4.421 10.589 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.747 -4.100 10.809 1.00 0.00 H new ATOM 0 HG SER A 105 -11.947 -5.672 12.324 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.228 -3.526 7.693 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.239 -2.739 7.007 1.00 0.00 C ATOM 1610 C GLY A 106 -14.308 -1.289 7.474 1.00 0.00 C ATOM 1611 O GLY A 106 -15.171 -0.554 6.995 1.00 0.00 O ATOM 0 H GLY A 106 -12.279 -3.196 7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.036 -2.757 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.213 -3.206 7.155 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.430 -0.855 8.384 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.494 0.475 8.989 1.00 0.00 C ATOM 1617 C GLN A 107 -13.085 1.544 7.974 1.00 0.00 C ATOM 1618 O GLN A 107 -13.677 2.622 7.932 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.550 0.591 10.201 1.00 0.00 C ATOM 1620 CG GLN A 107 -12.580 -0.555 11.221 1.00 0.00 C ATOM 1621 CD GLN A 107 -13.581 -0.314 12.347 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -14.790 -0.327 12.130 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -13.110 -0.118 13.566 1.00 0.00 N ATOM 0 H GLN A 107 -12.652 -1.421 8.722 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.524 0.626 9.313 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.530 0.686 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.785 1.517 10.725 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.831 -1.485 10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.585 -0.684 11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.103 -0.110 13.729 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.753 0.025 14.344 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.025 1.278 7.202 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.424 2.267 6.307 1.00 0.00 C ATOM 1634 C LEU A 108 -12.399 2.624 5.180 1.00 0.00 C ATOM 1635 O LEU A 108 -13.161 1.765 4.723 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.084 1.735 5.744 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.781 2.439 6.169 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.912 3.938 6.408 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.207 1.826 7.438 1.00 0.00 C ATOM 0 H LEU A 108 -11.561 0.370 7.182 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.214 3.176 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.000 0.685 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.142 1.773 4.656 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.119 2.291 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.945 4.345 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.247 4.425 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.638 4.118 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.288 2.346 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.931 1.921 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.990 0.772 7.267 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.347 3.875 4.701 1.00 0.00 N ATOM 1652 CA LYS A 109 -13.300 4.432 3.736 1.00 0.00 C ATOM 1653 C LYS A 109 -12.629 4.665 2.393 1.00 0.00 C ATOM 1654 O LYS A 109 -11.476 5.088 2.335 1.00 0.00 O ATOM 1655 CB LYS A 109 -13.887 5.761 4.269 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.415 5.821 4.114 1.00 0.00 C ATOM 1657 CD LYS A 109 -16.089 5.012 5.230 1.00 0.00 C ATOM 1658 CE LYS A 109 -17.486 4.517 4.842 1.00 0.00 C ATOM 1659 NZ LYS A 109 -17.947 3.479 5.786 1.00 0.00 N ATOM 0 H LYS A 109 -11.626 4.540 4.981 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.109 3.714 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.625 5.877 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.436 6.597 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.752 6.857 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.706 5.425 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.462 4.157 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.163 5.628 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.187 5.352 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.467 4.114 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.895 3.154 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.287 2.676 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.984 3.875 6.747 1.00 0.00 H new