USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 775 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 78 LYS NZ :NH3+ -163:sc= 1.16 (180deg=-0.391) USER MOD Set 1.2: A 81 GLN : amide:sc= 1.03 K(o=2.2,f=-7.2!) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0.094) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -127:sc= 1.62 (180deg=0.637) USER MOD Set 3.2: A 93 THR OG1 : rot -66:sc= 1.34 USER MOD Set 4.1: A 33 LYS NZ :NH3+ 138:sc= 0.285 (180deg=-0.125) USER MOD Set 4.2: A 98 THR OG1 : rot -28:sc= 0.396 USER MOD Set 5.1: A 8 HIS : no HE2:sc= 0.426 K(o=0.43,f=-1.6!) USER MOD Set 5.2: A 24 TYR OH : rot 180:sc= -0.0315 USER MOD Set 5.3: A 26 THR OG1 : rot 129:sc= 0.039 USER MOD Single : A 6 MET CE :methyl 160:sc= 0 (180deg=-0.147) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 9 TYR OH : rot 103:sc= 0.527 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 85:sc= 0.177 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.862) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 97:sc= 0.579 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 72:sc= 1.2 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 55 THR OG1 : rot -150:sc= -1.99! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0.943) USER MOD Single : A 65 MET CE :methyl -173:sc= -0.863 (180deg=-1.02) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.18) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0.739 (180deg=0.579) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.439 K(o=-0.44,f=-3!) USER MOD Single : A 94 THR OG1 : rot 127:sc= 0.226 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= 1.7 (180deg=1.35) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0302 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 1.916 -16.657 -5.712 1.00 0.00 N ATOM 2 CA MET A 6 1.438 -15.389 -6.257 1.00 0.00 C ATOM 3 C MET A 6 2.062 -14.207 -5.516 1.00 0.00 C ATOM 4 O MET A 6 1.925 -14.068 -4.299 1.00 0.00 O ATOM 5 CB MET A 6 -0.096 -15.290 -6.219 1.00 0.00 C ATOM 6 CG MET A 6 -0.836 -16.233 -7.162 1.00 0.00 C ATOM 7 SD MET A 6 -0.864 -17.953 -6.615 1.00 0.00 S ATOM 8 CE MET A 6 0.280 -18.695 -7.773 1.00 0.00 C ATOM 0 HA MET A 6 1.748 -15.353 -7.301 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.431 -15.486 -5.200 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.383 -14.266 -6.458 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.862 -15.883 -7.277 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.370 -16.184 -8.146 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.644 -19.640 -7.370 1.00 0.00 H new ATOM 0 HE2 MET A 6 -0.228 -18.876 -8.720 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.121 -18.021 -7.935 1.00 0.00 H new ATOM 18 N ASN A 7 2.737 -13.346 -6.263 1.00 0.00 N ATOM 19 CA ASN A 7 3.437 -12.205 -5.685 1.00 0.00 C ATOM 20 C ASN A 7 2.454 -11.168 -5.166 1.00 0.00 C ATOM 21 O ASN A 7 1.597 -10.684 -5.908 1.00 0.00 O ATOM 22 CB ASN A 7 4.381 -11.572 -6.714 1.00 0.00 C ATOM 23 CG ASN A 7 5.747 -12.228 -6.750 1.00 0.00 C ATOM 24 OD1 ASN A 7 6.679 -11.786 -6.073 1.00 0.00 O ATOM 25 ND2 ASN A 7 5.876 -13.293 -7.524 1.00 0.00 N ATOM 0 H ASN A 7 2.816 -13.416 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 7 4.029 -12.567 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.927 -11.637 -7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.499 -10.513 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.771 -13.780 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.081 -13.627 -8.068 1.00 0.00 H new ATOM 32 N HIS A 8 2.576 -10.844 -3.886 1.00 0.00 N ATOM 33 CA HIS A 8 1.690 -9.878 -3.254 1.00 0.00 C ATOM 34 C HIS A 8 2.382 -8.526 -3.155 1.00 0.00 C ATOM 35 O HIS A 8 3.254 -8.331 -2.309 1.00 0.00 O ATOM 36 CB HIS A 8 1.284 -10.330 -1.846 1.00 0.00 C ATOM 37 CG HIS A 8 0.812 -11.748 -1.752 1.00 0.00 C ATOM 38 ND1 HIS A 8 1.412 -12.672 -0.930 1.00 0.00 N ATOM 39 CD2 HIS A 8 -0.212 -12.394 -2.354 1.00 0.00 C ATOM 40 CE1 HIS A 8 0.778 -13.824 -1.027 1.00 0.00 C ATOM 41 NE2 HIS A 8 -0.214 -13.682 -1.883 1.00 0.00 N ATOM 0 H HIS A 8 3.282 -11.238 -3.264 1.00 0.00 H new ATOM 0 HA HIS A 8 0.794 -9.799 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.136 -10.201 -1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.493 -9.674 -1.483 1.00 0.00 H new ATOM 0 HD1 HIS A 8 2.222 -12.494 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.900 -11.974 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.029 -14.730 -0.495 1.00 0.00 H new ATOM 50 N TYR A 9 1.997 -7.606 -4.025 1.00 0.00 N ATOM 51 CA TYR A 9 2.561 -6.265 -4.022 1.00 0.00 C ATOM 52 C TYR A 9 1.544 -5.265 -3.490 1.00 0.00 C ATOM 53 O TYR A 9 0.405 -5.223 -3.950 1.00 0.00 O ATOM 54 CB TYR A 9 2.988 -5.846 -5.433 1.00 0.00 C ATOM 55 CG TYR A 9 4.132 -6.653 -6.008 1.00 0.00 C ATOM 56 CD1 TYR A 9 5.428 -6.491 -5.535 1.00 0.00 C ATOM 57 CD2 TYR A 9 3.920 -7.567 -7.031 1.00 0.00 C ATOM 58 CE1 TYR A 9 6.478 -7.216 -6.067 1.00 0.00 C ATOM 59 CE2 TYR A 9 4.965 -8.295 -7.570 1.00 0.00 C ATOM 60 CZ TYR A 9 6.241 -8.117 -7.085 1.00 0.00 C ATOM 61 OH TYR A 9 7.287 -8.837 -7.626 1.00 0.00 O ATOM 0 H TYR A 9 1.293 -7.764 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 9 3.438 -6.275 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.129 -5.931 -6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.275 -4.795 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.618 -5.787 -4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.920 -7.712 -7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.480 -7.078 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.781 -9.000 -8.367 1.00 0.00 H new ATOM 0 HH TYR A 9 7.270 -9.752 -7.275 1.00 0.00 H new ATOM 71 N VAL A 10 1.948 -4.475 -2.515 1.00 0.00 N ATOM 72 CA VAL A 10 1.105 -3.404 -2.013 1.00 0.00 C ATOM 73 C VAL A 10 1.595 -2.079 -2.566 1.00 0.00 C ATOM 74 O VAL A 10 2.607 -1.546 -2.110 1.00 0.00 O ATOM 75 CB VAL A 10 1.104 -3.322 -0.473 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.154 -2.232 -0.004 1.00 0.00 C ATOM 77 CG2 VAL A 10 0.733 -4.656 0.154 1.00 0.00 C ATOM 0 H VAL A 10 2.854 -4.553 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 10 0.087 -3.617 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 10 2.115 -3.073 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.163 -2.185 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.472 -1.272 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.855 -2.456 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.742 -4.563 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.263 -4.949 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.454 -5.414 -0.151 1.00 0.00 H new ATOM 87 N TYR A 11 0.900 -1.558 -3.557 1.00 0.00 N ATOM 88 CA TYR A 11 1.294 -0.303 -4.165 1.00 0.00 C ATOM 89 C TYR A 11 0.381 0.811 -3.679 1.00 0.00 C ATOM 90 O TYR A 11 -0.841 0.682 -3.702 1.00 0.00 O ATOM 91 CB TYR A 11 1.266 -0.402 -5.701 1.00 0.00 C ATOM 92 CG TYR A 11 -0.122 -0.466 -6.311 1.00 0.00 C ATOM 93 CD1 TYR A 11 -0.907 -1.605 -6.201 1.00 0.00 C ATOM 94 CD2 TYR A 11 -0.642 0.623 -7.000 1.00 0.00 C ATOM 95 CE1 TYR A 11 -2.171 -1.657 -6.760 1.00 0.00 C ATOM 96 CE2 TYR A 11 -1.904 0.577 -7.564 1.00 0.00 C ATOM 97 CZ TYR A 11 -2.664 -0.566 -7.440 1.00 0.00 C ATOM 98 OH TYR A 11 -3.920 -0.623 -8.007 1.00 0.00 O ATOM 0 H TYR A 11 0.063 -1.982 -3.957 1.00 0.00 H new ATOM 0 HA TYR A 11 2.318 -0.076 -3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.790 0.459 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.822 -1.290 -6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.525 -2.465 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.050 1.521 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.770 -2.551 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.292 1.432 -8.098 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.118 0.229 -8.449 1.00 0.00 H new ATOM 108 N ILE A 12 0.969 1.888 -3.200 1.00 0.00 N ATOM 109 CA ILE A 12 0.185 3.027 -2.783 1.00 0.00 C ATOM 110 C ILE A 12 0.350 4.152 -3.802 1.00 0.00 C ATOM 111 O ILE A 12 1.437 4.705 -3.986 1.00 0.00 O ATOM 112 CB ILE A 12 0.536 3.481 -1.338 1.00 0.00 C ATOM 113 CG1 ILE A 12 -0.487 4.497 -0.827 1.00 0.00 C ATOM 114 CG2 ILE A 12 1.944 4.050 -1.251 1.00 0.00 C ATOM 115 CD1 ILE A 12 -0.307 4.840 0.637 1.00 0.00 C ATOM 0 H ILE A 12 1.977 1.997 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.866 2.739 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 12 0.499 2.597 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.411 5.409 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.491 4.101 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.150 4.356 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.663 3.289 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.029 4.913 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.064 5.565 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.412 3.937 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.685 5.265 0.792 1.00 0.00 H new ATOM 127 N LEU A 13 -0.723 4.427 -4.519 1.00 0.00 N ATOM 128 CA LEU A 13 -0.692 5.423 -5.577 1.00 0.00 C ATOM 129 C LEU A 13 -1.115 6.768 -5.027 1.00 0.00 C ATOM 130 O LEU A 13 -2.023 6.846 -4.201 1.00 0.00 O ATOM 131 CB LEU A 13 -1.642 5.042 -6.719 1.00 0.00 C ATOM 132 CG LEU A 13 -1.090 5.225 -8.133 1.00 0.00 C ATOM 133 CD1 LEU A 13 -0.076 4.135 -8.453 1.00 0.00 C ATOM 134 CD2 LEU A 13 -2.220 5.221 -9.152 1.00 0.00 C ATOM 0 H LEU A 13 -1.628 3.975 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 13 0.327 5.473 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.930 3.998 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.551 5.637 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.586 6.190 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.307 4.280 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.748 4.185 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.557 3.159 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.808 5.352 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.753 4.271 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.910 6.036 -8.934 1.00 0.00 H new ATOM 146 N GLU A 14 -0.465 7.819 -5.476 1.00 0.00 N ATOM 147 CA GLU A 14 -0.929 9.151 -5.171 1.00 0.00 C ATOM 148 C GLU A 14 -1.879 9.548 -6.273 1.00 0.00 C ATOM 149 O GLU A 14 -1.516 9.487 -7.445 1.00 0.00 O ATOM 150 CB GLU A 14 0.236 10.135 -5.073 1.00 0.00 C ATOM 151 CG GLU A 14 -0.147 11.468 -4.456 1.00 0.00 C ATOM 152 CD GLU A 14 1.060 12.317 -4.130 1.00 0.00 C ATOM 153 OE1 GLU A 14 1.723 12.048 -3.106 1.00 0.00 O ATOM 154 OE2 GLU A 14 1.349 13.265 -4.886 1.00 0.00 O ATOM 0 H GLU A 14 0.378 7.777 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.430 9.168 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.032 9.685 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.640 10.308 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.795 12.011 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.722 11.293 -3.547 1.00 0.00 H new ATOM 161 N CYS A 15 -3.102 9.889 -5.906 1.00 0.00 N ATOM 162 CA CYS A 15 -4.135 10.175 -6.888 1.00 0.00 C ATOM 163 C CYS A 15 -4.344 11.676 -7.037 1.00 0.00 C ATOM 164 O CYS A 15 -3.887 12.462 -6.205 1.00 0.00 O ATOM 165 CB CYS A 15 -5.443 9.497 -6.476 1.00 0.00 C ATOM 166 SG CYS A 15 -5.254 7.756 -6.027 1.00 0.00 S ATOM 0 H CYS A 15 -3.405 9.975 -4.936 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.814 9.781 -7.852 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.870 10.036 -5.630 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.156 9.575 -7.297 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.901 7.666 -4.779 1.00 0.00 H new ATOM 172 N LYS A 16 -5.053 12.065 -8.096 1.00 0.00 N ATOM 173 CA LYS A 16 -5.334 13.473 -8.378 1.00 0.00 C ATOM 174 C LYS A 16 -6.118 14.120 -7.237 1.00 0.00 C ATOM 175 O LYS A 16 -6.134 15.339 -7.089 1.00 0.00 O ATOM 176 CB LYS A 16 -6.136 13.598 -9.677 1.00 0.00 C ATOM 177 CG LYS A 16 -7.506 12.942 -9.597 1.00 0.00 C ATOM 178 CD LYS A 16 -8.301 13.119 -10.879 1.00 0.00 C ATOM 179 CE LYS A 16 -9.690 12.515 -10.757 1.00 0.00 C ATOM 180 NZ LYS A 16 -10.502 13.173 -9.695 1.00 0.00 N ATOM 0 H LYS A 16 -5.447 11.418 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.380 13.990 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.259 14.653 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.570 13.146 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.387 11.879 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.064 13.369 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.383 14.180 -11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.769 12.649 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.207 12.602 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.603 11.451 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.505 12.928 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.182 12.846 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.387 14.205 -9.759 1.00 0.00 H new ATOM 194 N ASP A 17 -6.767 13.287 -6.434 1.00 0.00 N ATOM 195 CA ASP A 17 -7.617 13.767 -5.354 1.00 0.00 C ATOM 196 C ASP A 17 -6.799 14.018 -4.092 1.00 0.00 C ATOM 197 O ASP A 17 -7.331 14.458 -3.074 1.00 0.00 O ATOM 198 CB ASP A 17 -8.720 12.751 -5.056 1.00 0.00 C ATOM 199 CG ASP A 17 -9.423 12.269 -6.312 1.00 0.00 C ATOM 200 OD1 ASP A 17 -9.996 13.107 -7.042 1.00 0.00 O ATOM 201 OD2 ASP A 17 -9.390 11.048 -6.581 1.00 0.00 O ATOM 0 H ASP A 17 -6.720 12.271 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.069 14.707 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.290 11.896 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.451 13.200 -4.384 1.00 0.00 H new ATOM 206 N GLY A 18 -5.507 13.722 -4.163 1.00 0.00 N ATOM 207 CA GLY A 18 -4.635 13.896 -3.015 1.00 0.00 C ATOM 208 C GLY A 18 -4.677 12.698 -2.086 1.00 0.00 C ATOM 209 O GLY A 18 -3.984 12.660 -1.071 1.00 0.00 O ATOM 0 H GLY A 18 -5.045 13.363 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.612 14.055 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.930 14.791 -2.467 1.00 0.00 H new ATOM 213 N SER A 19 -5.487 11.715 -2.444 1.00 0.00 N ATOM 214 CA SER A 19 -5.653 10.523 -1.630 1.00 0.00 C ATOM 215 C SER A 19 -4.644 9.456 -2.040 1.00 0.00 C ATOM 216 O SER A 19 -4.523 9.126 -3.223 1.00 0.00 O ATOM 217 CB SER A 19 -7.086 9.988 -1.777 1.00 0.00 C ATOM 218 OG SER A 19 -7.299 8.823 -0.994 1.00 0.00 O ATOM 0 H SER A 19 -6.043 11.720 -3.299 1.00 0.00 H new ATOM 0 HA SER A 19 -5.476 10.780 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.794 10.761 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.284 9.762 -2.825 1.00 0.00 H new ATOM 0 HG SER A 19 -8.221 8.514 -1.112 1.00 0.00 H new ATOM 224 N TRP A 20 -3.899 8.947 -1.071 1.00 0.00 N ATOM 225 CA TRP A 20 -3.010 7.826 -1.317 1.00 0.00 C ATOM 226 C TRP A 20 -3.808 6.532 -1.333 1.00 0.00 C ATOM 227 O TRP A 20 -4.430 6.160 -0.337 1.00 0.00 O ATOM 228 CB TRP A 20 -1.905 7.749 -0.263 1.00 0.00 C ATOM 229 CG TRP A 20 -0.874 8.831 -0.386 1.00 0.00 C ATOM 230 CD1 TRP A 20 -0.441 9.425 -1.536 1.00 0.00 C ATOM 231 CD2 TRP A 20 -0.125 9.425 0.679 1.00 0.00 C ATOM 232 NE1 TRP A 20 0.528 10.355 -1.250 1.00 0.00 N ATOM 233 CE2 TRP A 20 0.738 10.375 0.102 1.00 0.00 C ATOM 234 CE3 TRP A 20 -0.106 9.249 2.066 1.00 0.00 C ATOM 235 CZ2 TRP A 20 1.613 11.144 0.863 1.00 0.00 C ATOM 236 CZ3 TRP A 20 0.767 10.013 2.819 1.00 0.00 C ATOM 237 CH2 TRP A 20 1.615 10.950 2.217 1.00 0.00 C ATOM 0 H TRP A 20 -3.893 9.292 -0.111 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.536 7.974 -2.287 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -2.357 7.801 0.728 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.412 6.780 -0.338 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.807 9.197 -2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.012 10.936 -1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.760 8.531 2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.267 11.868 0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.795 9.884 3.891 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.284 11.531 2.834 1.00 0.00 H new ATOM 248 N TYR A 21 -3.798 5.861 -2.470 1.00 0.00 N ATOM 249 CA TYR A 21 -4.584 4.657 -2.658 1.00 0.00 C ATOM 250 C TYR A 21 -3.738 3.425 -2.383 1.00 0.00 C ATOM 251 O TYR A 21 -2.850 3.082 -3.165 1.00 0.00 O ATOM 252 CB TYR A 21 -5.147 4.612 -4.080 1.00 0.00 C ATOM 253 CG TYR A 21 -5.879 3.330 -4.406 1.00 0.00 C ATOM 254 CD1 TYR A 21 -7.127 3.057 -3.861 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.315 2.389 -5.259 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.792 1.883 -4.158 1.00 0.00 C ATOM 257 CE2 TYR A 21 -5.973 1.215 -5.560 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.210 0.964 -5.008 1.00 0.00 C ATOM 259 OH TYR A 21 -7.871 -0.206 -5.310 1.00 0.00 O ATOM 0 H TYR A 21 -3.248 6.134 -3.285 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.416 4.668 -1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.827 5.453 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.329 4.743 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.585 3.773 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.345 2.580 -5.694 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.762 1.685 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.520 0.495 -6.226 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.325 -0.742 -5.922 1.00 0.00 H new ATOM 269 N THR A 22 -3.997 2.787 -1.257 1.00 0.00 N ATOM 270 CA THR A 22 -3.302 1.571 -0.891 1.00 0.00 C ATOM 271 C THR A 22 -3.915 0.378 -1.623 1.00 0.00 C ATOM 272 O THR A 22 -4.967 -0.131 -1.228 1.00 0.00 O ATOM 273 CB THR A 22 -3.372 1.345 0.632 1.00 0.00 C ATOM 274 OG1 THR A 22 -3.094 2.578 1.314 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.373 0.286 1.080 1.00 0.00 C ATOM 0 H THR A 22 -4.690 3.096 -0.576 1.00 0.00 H new ATOM 0 HA THR A 22 -2.256 1.670 -1.180 1.00 0.00 H new ATOM 0 HB THR A 22 -4.375 0.997 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.140 2.434 2.282 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.447 0.149 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.593 -0.657 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.363 0.606 0.823 1.00 0.00 H new ATOM 283 N GLY A 23 -3.274 -0.042 -2.704 1.00 0.00 N ATOM 284 CA GLY A 23 -3.814 -1.113 -3.513 1.00 0.00 C ATOM 285 C GLY A 23 -3.086 -2.422 -3.306 1.00 0.00 C ATOM 286 O GLY A 23 -1.857 -2.453 -3.199 1.00 0.00 O ATOM 0 H GLY A 23 -2.388 0.341 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.869 -1.247 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.758 -0.833 -4.565 1.00 0.00 H new ATOM 290 N TYR A 24 -3.846 -3.501 -3.250 1.00 0.00 N ATOM 291 CA TYR A 24 -3.291 -4.831 -3.054 1.00 0.00 C ATOM 292 C TYR A 24 -3.257 -5.587 -4.381 1.00 0.00 C ATOM 293 O TYR A 24 -4.301 -5.909 -4.951 1.00 0.00 O ATOM 294 CB TYR A 24 -4.131 -5.583 -2.016 1.00 0.00 C ATOM 295 CG TYR A 24 -3.697 -7.009 -1.763 1.00 0.00 C ATOM 296 CD1 TYR A 24 -2.495 -7.293 -1.130 1.00 0.00 C ATOM 297 CD2 TYR A 24 -4.501 -8.072 -2.152 1.00 0.00 C ATOM 298 CE1 TYR A 24 -2.106 -8.600 -0.894 1.00 0.00 C ATOM 299 CE2 TYR A 24 -4.121 -9.377 -1.915 1.00 0.00 C ATOM 300 CZ TYR A 24 -2.925 -9.636 -1.289 1.00 0.00 C ATOM 301 OH TYR A 24 -2.550 -10.941 -1.050 1.00 0.00 O ATOM 0 H TYR A 24 -4.862 -3.482 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.268 -4.751 -2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.096 -5.035 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.170 -5.587 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.854 -6.482 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.440 -7.874 -2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.166 -8.807 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.761 -10.192 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.240 -11.547 -1.391 1.00 0.00 H new ATOM 311 N THR A 25 -2.053 -5.842 -4.879 1.00 0.00 N ATOM 312 CA THR A 25 -1.879 -6.534 -6.147 1.00 0.00 C ATOM 313 C THR A 25 -1.366 -7.953 -5.939 1.00 0.00 C ATOM 314 O THR A 25 -0.408 -8.185 -5.199 1.00 0.00 O ATOM 315 CB THR A 25 -0.900 -5.774 -7.066 1.00 0.00 C ATOM 316 OG1 THR A 25 -1.414 -4.470 -7.330 1.00 0.00 O ATOM 317 CG2 THR A 25 -0.685 -6.511 -8.381 1.00 0.00 C ATOM 0 H THR A 25 -1.181 -5.578 -4.421 1.00 0.00 H new ATOM 0 HA THR A 25 -2.859 -6.576 -6.622 1.00 0.00 H new ATOM 0 HB THR A 25 0.061 -5.704 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.003 -3.826 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.010 -5.948 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.273 -7.500 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.638 -6.613 -8.901 1.00 0.00 H new ATOM 325 N THR A 26 -2.031 -8.900 -6.571 1.00 0.00 N ATOM 326 CA THR A 26 -1.586 -10.277 -6.599 1.00 0.00 C ATOM 327 C THR A 26 -1.929 -10.883 -7.956 1.00 0.00 C ATOM 328 O THR A 26 -2.855 -11.684 -8.089 1.00 0.00 O ATOM 329 CB THR A 26 -2.222 -11.091 -5.455 1.00 0.00 C ATOM 330 OG1 THR A 26 -1.937 -10.451 -4.207 1.00 0.00 O ATOM 331 CG2 THR A 26 -1.687 -12.510 -5.422 1.00 0.00 C ATOM 0 H THR A 26 -2.899 -8.734 -7.081 1.00 0.00 H new ATOM 0 HA THR A 26 -0.506 -10.307 -6.453 1.00 0.00 H new ATOM 0 HB THR A 26 -3.298 -11.135 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.769 -10.334 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.156 -13.057 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.913 -13.006 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.608 -12.488 -5.272 1.00 0.00 H new ATOM 339 N ASP A 27 -1.203 -10.448 -8.976 1.00 0.00 N ATOM 340 CA ASP A 27 -1.464 -10.870 -10.346 1.00 0.00 C ATOM 341 C ASP A 27 -0.156 -11.210 -11.037 1.00 0.00 C ATOM 342 O ASP A 27 0.761 -10.390 -11.066 1.00 0.00 O ATOM 343 CB ASP A 27 -2.168 -9.766 -11.153 1.00 0.00 C ATOM 344 CG ASP A 27 -3.473 -9.284 -10.542 1.00 0.00 C ATOM 345 OD1 ASP A 27 -3.437 -8.374 -9.683 1.00 0.00 O ATOM 346 OD2 ASP A 27 -4.545 -9.790 -10.941 1.00 0.00 O ATOM 0 H ASP A 27 -0.423 -9.798 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.114 -11.744 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.491 -8.917 -11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.366 -10.137 -12.159 1.00 0.00 H new ATOM 351 N VAL A 28 -0.060 -12.416 -11.586 1.00 0.00 N ATOM 352 CA VAL A 28 1.113 -12.808 -12.358 1.00 0.00 C ATOM 353 C VAL A 28 1.260 -11.901 -13.577 1.00 0.00 C ATOM 354 O VAL A 28 2.359 -11.432 -13.890 1.00 0.00 O ATOM 355 CB VAL A 28 1.028 -14.280 -12.818 1.00 0.00 C ATOM 356 CG1 VAL A 28 2.272 -14.678 -13.601 1.00 0.00 C ATOM 357 CG2 VAL A 28 0.833 -15.205 -11.625 1.00 0.00 C ATOM 0 H VAL A 28 -0.778 -13.137 -11.511 1.00 0.00 H new ATOM 0 HA VAL A 28 1.984 -12.705 -11.711 1.00 0.00 H new ATOM 0 HB VAL A 28 0.165 -14.377 -13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.188 -15.719 -13.914 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.367 -14.041 -14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.153 -14.559 -12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.776 -16.237 -11.970 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.674 -15.098 -10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.091 -14.943 -11.109 1.00 0.00 H new ATOM 367 N ASP A 29 0.129 -11.641 -14.229 1.00 0.00 N ATOM 368 CA ASP A 29 0.079 -10.819 -15.436 1.00 0.00 C ATOM 369 C ASP A 29 0.600 -9.410 -15.177 1.00 0.00 C ATOM 370 O ASP A 29 1.290 -8.835 -16.019 1.00 0.00 O ATOM 371 CB ASP A 29 -1.357 -10.752 -15.966 1.00 0.00 C ATOM 372 CG ASP A 29 -2.357 -10.303 -14.923 1.00 0.00 C ATOM 373 OD1 ASP A 29 -2.578 -9.083 -14.788 1.00 0.00 O ATOM 374 OD2 ASP A 29 -2.927 -11.172 -14.234 1.00 0.00 O ATOM 0 H ASP A 29 -0.781 -11.995 -13.934 1.00 0.00 H new ATOM 0 HA ASP A 29 0.723 -11.284 -16.182 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.393 -10.067 -16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.646 -11.735 -16.338 1.00 0.00 H new ATOM 379 N ARG A 30 0.271 -8.864 -14.015 1.00 0.00 N ATOM 380 CA ARG A 30 0.757 -7.550 -13.613 1.00 0.00 C ATOM 381 C ARG A 30 2.273 -7.498 -13.644 1.00 0.00 C ATOM 382 O ARG A 30 2.870 -6.586 -14.214 1.00 0.00 O ATOM 383 CB ARG A 30 0.280 -7.219 -12.201 1.00 0.00 C ATOM 384 CG ARG A 30 -1.075 -6.541 -12.145 1.00 0.00 C ATOM 385 CD ARG A 30 -1.017 -5.177 -12.800 1.00 0.00 C ATOM 386 NE ARG A 30 -2.180 -4.359 -12.461 1.00 0.00 N ATOM 387 CZ ARG A 30 -2.782 -3.526 -13.309 1.00 0.00 C ATOM 388 NH1 ARG A 30 -2.426 -3.505 -14.588 1.00 0.00 N ATOM 389 NH2 ARG A 30 -3.760 -2.737 -12.878 1.00 0.00 N ATOM 0 H ARG A 30 -0.335 -9.314 -13.329 1.00 0.00 H new ATOM 0 HA ARG A 30 0.360 -6.820 -14.319 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.237 -8.140 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.017 -6.573 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.818 -7.160 -12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.394 -6.439 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.108 -4.663 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.960 -5.296 -13.882 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.555 -4.430 -11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.690 -4.127 -14.923 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.888 -2.867 -15.236 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.048 -2.770 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.223 -2.098 -13.525 1.00 0.00 H new ATOM 403 N ARG A 31 2.882 -8.497 -13.032 1.00 0.00 N ATOM 404 CA ARG A 31 4.314 -8.513 -12.831 1.00 0.00 C ATOM 405 C ARG A 31 5.059 -8.679 -14.158 1.00 0.00 C ATOM 406 O ARG A 31 5.953 -7.896 -14.480 1.00 0.00 O ATOM 407 CB ARG A 31 4.675 -9.647 -11.870 1.00 0.00 C ATOM 408 CG ARG A 31 6.090 -9.589 -11.320 1.00 0.00 C ATOM 409 CD ARG A 31 6.387 -10.810 -10.465 1.00 0.00 C ATOM 410 NE ARG A 31 7.651 -10.698 -9.745 1.00 0.00 N ATOM 411 CZ ARG A 31 8.568 -11.663 -9.701 1.00 0.00 C ATOM 412 NH1 ARG A 31 8.395 -12.780 -10.399 1.00 0.00 N ATOM 413 NH2 ARG A 31 9.662 -11.508 -8.968 1.00 0.00 N ATOM 0 H ARG A 31 2.398 -9.315 -12.663 1.00 0.00 H new ATOM 0 HA ARG A 31 4.618 -7.559 -12.401 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.975 -9.634 -11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.539 -10.598 -12.385 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.803 -9.533 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.217 -8.684 -10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.577 -10.953 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.412 -11.696 -11.100 1.00 0.00 H new ATOM 0 HE ARG A 31 7.844 -9.830 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.559 -12.900 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.099 -13.518 -10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.802 -10.649 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.363 -12.248 -8.935 1.00 0.00 H new ATOM 427 N ILE A 32 4.682 -9.704 -14.919 1.00 0.00 N ATOM 428 CA ILE A 32 5.362 -10.026 -16.173 1.00 0.00 C ATOM 429 C ILE A 32 5.262 -8.886 -17.202 1.00 0.00 C ATOM 430 O ILE A 32 6.282 -8.424 -17.719 1.00 0.00 O ATOM 431 CB ILE A 32 4.846 -11.358 -16.780 1.00 0.00 C ATOM 432 CG1 ILE A 32 5.539 -11.643 -18.116 1.00 0.00 C ATOM 433 CG2 ILE A 32 3.331 -11.348 -16.947 1.00 0.00 C ATOM 434 CD1 ILE A 32 5.134 -12.960 -18.740 1.00 0.00 C ATOM 0 H ILE A 32 3.908 -10.327 -14.689 1.00 0.00 H new ATOM 0 HA ILE A 32 6.416 -10.152 -15.926 1.00 0.00 H new ATOM 0 HB ILE A 32 5.093 -12.159 -16.083 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.313 -10.836 -18.813 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.618 -11.639 -17.964 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.006 -12.296 -17.374 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.859 -11.207 -15.975 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.044 -10.533 -17.611 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.664 -13.094 -19.683 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.386 -13.776 -18.063 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.060 -12.960 -18.925 1.00 0.00 H new ATOM 446 N LYS A 33 4.042 -8.428 -17.488 1.00 0.00 N ATOM 447 CA LYS A 33 3.825 -7.405 -18.511 1.00 0.00 C ATOM 448 C LYS A 33 4.537 -6.100 -18.170 1.00 0.00 C ATOM 449 O LYS A 33 5.238 -5.534 -19.010 1.00 0.00 O ATOM 450 CB LYS A 33 2.334 -7.146 -18.716 1.00 0.00 C ATOM 451 CG LYS A 33 1.584 -8.329 -19.311 1.00 0.00 C ATOM 452 CD LYS A 33 0.118 -8.001 -19.554 1.00 0.00 C ATOM 453 CE LYS A 33 -0.058 -6.892 -20.587 1.00 0.00 C ATOM 454 NZ LYS A 33 0.456 -7.283 -21.928 1.00 0.00 N ATOM 0 H LYS A 33 3.191 -8.749 -17.026 1.00 0.00 H new ATOM 0 HA LYS A 33 4.250 -7.788 -19.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.884 -6.887 -17.758 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.211 -6.283 -19.370 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.052 -8.621 -20.251 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.659 -9.183 -18.638 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.402 -8.897 -19.892 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.346 -7.698 -18.615 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.115 -6.636 -20.666 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.462 -5.996 -20.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.208 -6.963 -22.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.385 -6.842 -22.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.551 -8.318 -21.975 1.00 0.00 H new ATOM 468 N LYS A 34 4.353 -5.624 -16.943 1.00 0.00 N ATOM 469 CA LYS A 34 4.960 -4.369 -16.516 1.00 0.00 C ATOM 470 C LYS A 34 6.484 -4.457 -16.587 1.00 0.00 C ATOM 471 O LYS A 34 7.160 -3.469 -16.876 1.00 0.00 O ATOM 472 CB LYS A 34 4.509 -4.012 -15.098 1.00 0.00 C ATOM 473 CG LYS A 34 4.714 -2.546 -14.742 1.00 0.00 C ATOM 474 CD LYS A 34 3.924 -1.634 -15.674 1.00 0.00 C ATOM 475 CE LYS A 34 3.999 -0.178 -15.240 1.00 0.00 C ATOM 476 NZ LYS A 34 5.395 0.336 -15.247 1.00 0.00 N ATOM 0 H LYS A 34 3.790 -6.087 -16.229 1.00 0.00 H new ATOM 0 HA LYS A 34 4.630 -3.580 -17.192 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.453 -4.259 -14.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.056 -4.630 -14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.404 -2.373 -13.711 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.774 -2.300 -14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.309 -1.731 -16.689 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.882 -1.953 -15.697 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.386 0.430 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.581 -0.076 -14.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.615 0.756 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.052 -0.447 -15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.495 1.059 -15.988 1.00 0.00 H new ATOM 490 N HIS A 35 7.015 -5.652 -16.337 1.00 0.00 N ATOM 491 CA HIS A 35 8.452 -5.886 -16.416 1.00 0.00 C ATOM 492 C HIS A 35 8.935 -5.751 -17.858 1.00 0.00 C ATOM 493 O HIS A 35 9.898 -5.037 -18.135 1.00 0.00 O ATOM 494 CB HIS A 35 8.794 -7.280 -15.879 1.00 0.00 C ATOM 495 CG HIS A 35 10.264 -7.561 -15.785 1.00 0.00 C ATOM 496 ND1 HIS A 35 10.931 -8.402 -16.654 1.00 0.00 N ATOM 497 CD2 HIS A 35 11.193 -7.121 -14.906 1.00 0.00 C ATOM 498 CE1 HIS A 35 12.204 -8.465 -16.309 1.00 0.00 C ATOM 499 NE2 HIS A 35 12.387 -7.699 -15.253 1.00 0.00 N ATOM 0 H HIS A 35 6.469 -6.474 -16.078 1.00 0.00 H new ATOM 0 HA HIS A 35 8.957 -5.138 -15.805 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.350 -7.395 -14.890 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.333 -8.028 -16.524 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.026 -6.441 -14.084 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.966 -9.046 -16.808 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.275 -7.558 -14.771 1.00 0.00 H new ATOM 508 N ALA A 36 8.258 -6.450 -18.766 1.00 0.00 N ATOM 509 CA ALA A 36 8.593 -6.404 -20.189 1.00 0.00 C ATOM 510 C ALA A 36 8.450 -4.991 -20.748 1.00 0.00 C ATOM 511 O ALA A 36 9.228 -4.567 -21.603 1.00 0.00 O ATOM 512 CB ALA A 36 7.720 -7.378 -20.966 1.00 0.00 C ATOM 0 H ALA A 36 7.470 -7.058 -18.541 1.00 0.00 H new ATOM 0 HA ALA A 36 9.636 -6.700 -20.301 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.979 -7.334 -22.024 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.883 -8.389 -20.594 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.672 -7.109 -20.838 1.00 0.00 H new ATOM 518 N SER A 37 7.454 -4.267 -20.254 1.00 0.00 N ATOM 519 CA SER A 37 7.205 -2.900 -20.692 1.00 0.00 C ATOM 520 C SER A 37 8.311 -1.972 -20.206 1.00 0.00 C ATOM 521 O SER A 37 8.615 -0.956 -20.841 1.00 0.00 O ATOM 522 CB SER A 37 5.862 -2.419 -20.156 1.00 0.00 C ATOM 523 OG SER A 37 4.814 -3.287 -20.556 1.00 0.00 O ATOM 0 H SER A 37 6.803 -4.606 -19.546 1.00 0.00 H new ATOM 0 HA SER A 37 7.187 -2.885 -21.782 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.899 -2.365 -19.068 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.662 -1.411 -20.518 1.00 0.00 H new ATOM 0 HG SER A 37 4.878 -4.128 -20.058 1.00 0.00 H new ATOM 529 N GLY A 38 8.896 -2.324 -19.068 1.00 0.00 N ATOM 530 CA GLY A 38 9.978 -1.543 -18.523 1.00 0.00 C ATOM 531 C GLY A 38 11.228 -1.670 -19.365 1.00 0.00 C ATOM 532 O GLY A 38 11.657 -0.702 -19.982 1.00 0.00 O ATOM 0 H GLY A 38 8.636 -3.140 -18.515 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.680 -0.496 -18.466 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.188 -1.870 -17.505 1.00 0.00 H new ATOM 536 N LYS A 39 11.789 -2.878 -19.393 1.00 0.00 N ATOM 537 CA LYS A 39 12.939 -3.216 -20.240 1.00 0.00 C ATOM 538 C LYS A 39 14.064 -2.175 -20.142 1.00 0.00 C ATOM 539 O LYS A 39 14.881 -2.225 -19.222 1.00 0.00 O ATOM 540 CB LYS A 39 12.483 -3.391 -21.693 1.00 0.00 C ATOM 541 CG LYS A 39 13.386 -4.292 -22.523 1.00 0.00 C ATOM 542 CD LYS A 39 12.808 -4.516 -23.908 1.00 0.00 C ATOM 543 CE LYS A 39 13.478 -5.685 -24.612 1.00 0.00 C ATOM 544 NZ LYS A 39 12.882 -5.940 -25.947 1.00 0.00 N ATOM 0 H LYS A 39 11.458 -3.658 -18.825 1.00 0.00 H new ATOM 0 HA LYS A 39 13.352 -4.157 -19.876 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.473 -3.802 -21.699 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.431 -2.411 -22.167 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.376 -3.843 -22.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.512 -5.250 -22.019 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.737 -4.703 -23.830 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.931 -3.612 -24.505 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.543 -5.481 -24.723 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.387 -6.580 -23.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.366 -6.744 -26.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.871 -6.160 -25.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.991 -5.095 -26.543 1.00 0.00 H new ATOM 558 N GLY A 40 14.103 -1.244 -21.097 1.00 0.00 N ATOM 559 CA GLY A 40 15.088 -0.180 -21.068 1.00 0.00 C ATOM 560 C GLY A 40 14.487 1.127 -20.589 1.00 0.00 C ATOM 561 O GLY A 40 13.538 1.648 -21.190 1.00 0.00 O ATOM 0 H GLY A 40 13.465 -1.211 -21.892 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.911 -0.464 -20.412 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.507 -0.044 -22.065 1.00 0.00 H new ATOM 565 N ALA A 41 15.028 1.658 -19.504 1.00 0.00 N ATOM 566 CA ALA A 41 14.488 2.863 -18.902 1.00 0.00 C ATOM 567 C ALA A 41 15.397 4.068 -19.121 1.00 0.00 C ATOM 568 O ALA A 41 16.394 4.247 -18.422 1.00 0.00 O ATOM 569 CB ALA A 41 14.245 2.643 -17.420 1.00 0.00 C ATOM 0 H ALA A 41 15.841 1.272 -19.023 1.00 0.00 H new ATOM 0 HA ALA A 41 13.539 3.080 -19.393 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.840 3.554 -16.979 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.535 1.827 -17.285 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.186 2.390 -16.931 1.00 0.00 H new ATOM 575 N LYS A 42 15.062 4.863 -20.130 1.00 0.00 N ATOM 576 CA LYS A 42 15.699 6.159 -20.351 1.00 0.00 C ATOM 577 C LYS A 42 14.619 7.200 -20.598 1.00 0.00 C ATOM 578 O LYS A 42 14.851 8.220 -21.246 1.00 0.00 O ATOM 579 CB LYS A 42 16.650 6.131 -21.557 1.00 0.00 C ATOM 580 CG LYS A 42 17.795 5.139 -21.444 1.00 0.00 C ATOM 581 CD LYS A 42 18.907 5.469 -22.432 1.00 0.00 C ATOM 582 CE LYS A 42 18.370 5.706 -23.836 1.00 0.00 C ATOM 583 NZ LYS A 42 19.447 6.079 -24.791 1.00 0.00 N ATOM 0 H LYS A 42 14.344 4.630 -20.816 1.00 0.00 H new ATOM 0 HA LYS A 42 16.285 6.404 -19.466 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.073 5.897 -22.451 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.065 7.129 -21.697 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.191 5.151 -20.429 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.426 4.130 -21.631 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.441 6.357 -22.093 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.628 4.652 -22.453 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.869 4.805 -24.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.621 6.497 -23.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.037 6.231 -25.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.909 6.953 -24.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.150 5.314 -24.838 1.00 0.00 H new ATOM 597 N TYR A 43 13.429 6.932 -20.079 1.00 0.00 N ATOM 598 CA TYR A 43 12.280 7.783 -20.338 1.00 0.00 C ATOM 599 C TYR A 43 11.834 8.507 -19.077 1.00 0.00 C ATOM 600 O TYR A 43 12.471 8.414 -18.031 1.00 0.00 O ATOM 601 CB TYR A 43 11.122 6.956 -20.901 1.00 0.00 C ATOM 602 CG TYR A 43 11.378 6.412 -22.286 1.00 0.00 C ATOM 603 CD1 TYR A 43 11.971 5.170 -22.468 1.00 0.00 C ATOM 604 CD2 TYR A 43 11.024 7.141 -23.415 1.00 0.00 C ATOM 605 CE1 TYR A 43 12.204 4.671 -23.732 1.00 0.00 C ATOM 606 CE2 TYR A 43 11.253 6.646 -24.682 1.00 0.00 C ATOM 607 CZ TYR A 43 11.843 5.412 -24.834 1.00 0.00 C ATOM 608 OH TYR A 43 12.070 4.916 -26.096 1.00 0.00 O ATOM 0 H TYR A 43 13.236 6.132 -19.477 1.00 0.00 H new ATOM 0 HA TYR A 43 12.578 8.530 -21.073 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.920 6.124 -20.226 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.224 7.574 -20.924 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.254 4.585 -21.605 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.562 8.110 -23.299 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.667 3.703 -23.857 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.971 7.224 -25.550 1.00 0.00 H new ATOM 0 HH TYR A 43 11.756 5.562 -26.763 1.00 0.00 H new ATOM 618 N THR A 44 10.734 9.225 -19.199 1.00 0.00 N ATOM 619 CA THR A 44 10.175 9.989 -18.105 1.00 0.00 C ATOM 620 C THR A 44 8.729 10.342 -18.458 1.00 0.00 C ATOM 621 O THR A 44 8.152 9.721 -19.357 1.00 0.00 O ATOM 622 CB THR A 44 11.022 11.266 -17.826 1.00 0.00 C ATOM 623 OG1 THR A 44 10.518 11.980 -16.685 1.00 0.00 O ATOM 624 CG2 THR A 44 11.048 12.189 -19.036 1.00 0.00 C ATOM 0 H THR A 44 10.201 9.294 -20.066 1.00 0.00 H new ATOM 0 HA THR A 44 10.192 9.397 -17.190 1.00 0.00 H new ATOM 0 HB THR A 44 12.040 10.937 -17.617 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.067 12.777 -16.529 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.647 13.071 -18.808 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.484 11.663 -19.885 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.031 12.495 -19.282 1.00 0.00 H new ATOM 632 N ARG A 45 8.158 11.320 -17.756 1.00 0.00 N ATOM 633 CA ARG A 45 6.786 11.777 -17.994 1.00 0.00 C ATOM 634 C ARG A 45 5.774 10.736 -17.522 1.00 0.00 C ATOM 635 O ARG A 45 6.133 9.617 -17.151 1.00 0.00 O ATOM 636 CB ARG A 45 6.543 12.091 -19.481 1.00 0.00 C ATOM 637 CG ARG A 45 7.589 13.000 -20.103 1.00 0.00 C ATOM 638 CD ARG A 45 7.362 13.156 -21.599 1.00 0.00 C ATOM 639 NE ARG A 45 8.477 13.833 -22.258 1.00 0.00 N ATOM 640 CZ ARG A 45 8.439 14.292 -23.507 1.00 0.00 C ATOM 641 NH1 ARG A 45 7.336 14.157 -24.239 1.00 0.00 N ATOM 642 NH2 ARG A 45 9.510 14.879 -24.030 1.00 0.00 N ATOM 0 H ARG A 45 8.633 11.820 -17.004 1.00 0.00 H new ATOM 0 HA ARG A 45 6.652 12.694 -17.420 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.513 11.155 -20.039 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.563 12.557 -19.587 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.556 13.978 -19.623 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.583 12.591 -19.924 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.219 12.173 -22.048 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.445 13.720 -21.769 1.00 0.00 H new ATOM 0 HE ARG A 45 9.339 13.962 -21.728 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.514 13.700 -23.844 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.312 14.511 -25.195 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.360 14.977 -23.475 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.482 15.231 -24.987 1.00 0.00 H new ATOM 656 N GLY A 46 4.509 11.118 -17.521 1.00 0.00 N ATOM 657 CA GLY A 46 3.452 10.197 -17.169 1.00 0.00 C ATOM 658 C GLY A 46 2.190 10.467 -17.956 1.00 0.00 C ATOM 659 O GLY A 46 1.897 11.617 -18.290 1.00 0.00 O ATOM 0 H GLY A 46 4.193 12.058 -17.760 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.784 9.175 -17.353 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.240 10.277 -16.103 1.00 0.00 H new ATOM 663 N ARG A 47 1.451 9.411 -18.268 1.00 0.00 N ATOM 664 CA ARG A 47 0.191 9.544 -18.992 1.00 0.00 C ATOM 665 C ARG A 47 -0.849 10.253 -18.138 1.00 0.00 C ATOM 666 O ARG A 47 -1.573 11.126 -18.618 1.00 0.00 O ATOM 667 CB ARG A 47 -0.326 8.170 -19.431 1.00 0.00 C ATOM 668 CG ARG A 47 0.399 7.605 -20.647 1.00 0.00 C ATOM 669 CD ARG A 47 -0.129 8.193 -21.954 1.00 0.00 C ATOM 670 NE ARG A 47 -0.015 9.653 -22.002 1.00 0.00 N ATOM 671 CZ ARG A 47 -0.842 10.446 -22.685 1.00 0.00 C ATOM 672 NH1 ARG A 47 -1.814 9.926 -23.425 1.00 0.00 N ATOM 673 NH2 ARG A 47 -0.690 11.762 -22.633 1.00 0.00 N ATOM 0 H ARG A 47 1.701 8.451 -18.031 1.00 0.00 H new ATOM 0 HA ARG A 47 0.373 10.146 -19.882 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.225 7.471 -18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.390 8.246 -19.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.466 7.812 -20.561 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.285 6.521 -20.665 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.421 7.762 -22.790 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.174 7.910 -22.080 1.00 0.00 H new ATOM 0 HE ARG A 47 0.745 10.090 -21.480 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.932 8.914 -23.474 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.443 10.538 -23.945 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.059 12.167 -22.071 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.322 12.369 -23.155 1.00 0.00 H new ATOM 687 N GLY A 48 -0.912 9.876 -16.871 1.00 0.00 N ATOM 688 CA GLY A 48 -1.821 10.525 -15.954 1.00 0.00 C ATOM 689 C GLY A 48 -2.874 9.582 -15.418 1.00 0.00 C ATOM 690 O GLY A 48 -2.938 8.424 -15.831 1.00 0.00 O ATOM 0 H GLY A 48 -0.348 9.131 -16.462 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.255 10.943 -15.122 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.308 11.359 -16.459 1.00 0.00 H new ATOM 694 N PRO A 49 -3.716 10.053 -14.486 1.00 0.00 N ATOM 695 CA PRO A 49 -3.638 11.415 -13.945 1.00 0.00 C ATOM 696 C PRO A 49 -2.499 11.574 -12.940 1.00 0.00 C ATOM 697 O PRO A 49 -1.885 12.643 -12.839 1.00 0.00 O ATOM 698 CB PRO A 49 -4.992 11.610 -13.240 1.00 0.00 C ATOM 699 CG PRO A 49 -5.807 10.400 -13.580 1.00 0.00 C ATOM 700 CD PRO A 49 -4.830 9.306 -13.903 1.00 0.00 C ATOM 0 HA PRO A 49 -3.442 12.146 -14.729 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.862 11.703 -12.162 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.483 12.521 -13.582 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.446 10.115 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.462 10.599 -14.429 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.529 8.753 -13.013 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.246 8.582 -14.603 1.00 0.00 H new ATOM 708 N PHE A 50 -2.197 10.496 -12.232 1.00 0.00 N ATOM 709 CA PHE A 50 -1.254 10.535 -11.127 1.00 0.00 C ATOM 710 C PHE A 50 -0.492 9.210 -11.027 1.00 0.00 C ATOM 711 O PHE A 50 -0.667 8.337 -11.877 1.00 0.00 O ATOM 712 CB PHE A 50 -1.981 10.874 -9.835 1.00 0.00 C ATOM 713 CG PHE A 50 -1.529 12.171 -9.226 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.481 12.192 -8.323 1.00 0.00 C ATOM 715 CD2 PHE A 50 -2.148 13.366 -9.556 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.060 13.377 -7.757 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.729 14.556 -8.992 1.00 0.00 C ATOM 718 CZ PHE A 50 -0.683 14.561 -8.091 1.00 0.00 C ATOM 0 H PHE A 50 -2.597 9.574 -12.407 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.517 11.318 -11.308 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.052 10.925 -10.031 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.827 10.069 -9.116 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.013 11.269 -8.058 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.966 13.367 -10.261 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.758 13.378 -7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.219 15.481 -9.256 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.354 15.490 -7.649 1.00 0.00 H new ATOM 728 N ARG A 51 0.351 9.050 -10.003 1.00 0.00 N ATOM 729 CA ARG A 51 1.382 8.011 -10.051 1.00 0.00 C ATOM 730 C ARG A 51 1.642 7.356 -8.699 1.00 0.00 C ATOM 731 O ARG A 51 1.038 7.705 -7.691 1.00 0.00 O ATOM 732 CB ARG A 51 2.697 8.576 -10.596 1.00 0.00 C ATOM 733 CG ARG A 51 3.311 9.681 -9.745 1.00 0.00 C ATOM 734 CD ARG A 51 4.704 10.055 -10.243 1.00 0.00 C ATOM 735 NE ARG A 51 4.682 10.639 -11.586 1.00 0.00 N ATOM 736 CZ ARG A 51 5.610 10.422 -12.516 1.00 0.00 C ATOM 737 NH1 ARG A 51 6.626 9.602 -12.279 1.00 0.00 N ATOM 738 NH2 ARG A 51 5.519 11.030 -13.690 1.00 0.00 N ATOM 0 H ARG A 51 0.342 9.611 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 51 0.996 7.241 -10.720 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.417 7.763 -10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.523 8.962 -11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.667 10.560 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.369 9.354 -8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.156 10.764 -9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.335 9.167 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 51 3.904 11.253 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.702 9.131 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.331 9.443 -12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.740 11.661 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.228 10.867 -14.405 1.00 0.00 H new ATOM 752 N LEU A 52 2.575 6.410 -8.709 1.00 0.00 N ATOM 753 CA LEU A 52 2.899 5.585 -7.551 1.00 0.00 C ATOM 754 C LEU A 52 3.770 6.338 -6.544 1.00 0.00 C ATOM 755 O LEU A 52 4.570 7.195 -6.922 1.00 0.00 O ATOM 756 CB LEU A 52 3.625 4.323 -8.027 1.00 0.00 C ATOM 757 CG LEU A 52 3.998 3.318 -6.939 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.748 2.727 -6.308 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.881 2.223 -7.517 1.00 0.00 C ATOM 0 H LEU A 52 3.135 6.192 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 52 1.970 5.320 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.995 3.819 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.536 4.624 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 52 4.557 3.837 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.033 2.013 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.153 3.525 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.160 2.219 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.140 1.513 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.345 1.705 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.791 2.665 -7.921 1.00 0.00 H new ATOM 771 N VAL A 53 3.601 6.012 -5.267 1.00 0.00 N ATOM 772 CA VAL A 53 4.407 6.607 -4.207 1.00 0.00 C ATOM 773 C VAL A 53 5.359 5.572 -3.609 1.00 0.00 C ATOM 774 O VAL A 53 6.568 5.783 -3.554 1.00 0.00 O ATOM 775 CB VAL A 53 3.525 7.187 -3.082 1.00 0.00 C ATOM 776 CG1 VAL A 53 4.373 7.920 -2.057 1.00 0.00 C ATOM 777 CG2 VAL A 53 2.458 8.104 -3.653 1.00 0.00 C ATOM 0 H VAL A 53 2.910 5.336 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 53 4.980 7.418 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 53 3.026 6.358 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.731 8.321 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.092 7.228 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.905 8.738 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.848 8.502 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.933 8.927 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.826 7.543 -4.341 1.00 0.00 H new ATOM 787 N ALA A 54 4.805 4.449 -3.168 1.00 0.00 N ATOM 788 CA ALA A 54 5.603 3.391 -2.568 1.00 0.00 C ATOM 789 C ALA A 54 4.977 2.030 -2.843 1.00 0.00 C ATOM 790 O ALA A 54 3.826 1.944 -3.277 1.00 0.00 O ATOM 791 CB ALA A 54 5.747 3.610 -1.068 1.00 0.00 C ATOM 0 H ALA A 54 3.806 4.249 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 54 6.596 3.417 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.347 2.808 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.236 4.567 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.761 3.613 -0.604 1.00 0.00 H new ATOM 797 N THR A 55 5.738 0.973 -2.590 1.00 0.00 N ATOM 798 CA THR A 55 5.278 -0.386 -2.829 1.00 0.00 C ATOM 799 C THR A 55 5.993 -1.360 -1.894 1.00 0.00 C ATOM 800 O THR A 55 7.198 -1.245 -1.669 1.00 0.00 O ATOM 801 CB THR A 55 5.518 -0.810 -4.293 1.00 0.00 C ATOM 802 OG1 THR A 55 4.910 0.135 -5.176 1.00 0.00 O ATOM 803 CG2 THR A 55 4.943 -2.192 -4.566 1.00 0.00 C ATOM 0 H THR A 55 6.685 1.034 -2.216 1.00 0.00 H new ATOM 0 HA THR A 55 4.206 -0.411 -2.632 1.00 0.00 H new ATOM 0 HB THR A 55 6.594 -0.841 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.636 -0.318 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.127 -2.464 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.420 -2.921 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.869 -2.183 -4.378 1.00 0.00 H new ATOM 811 N TRP A 56 5.233 -2.288 -1.328 1.00 0.00 N ATOM 812 CA TRP A 56 5.780 -3.296 -0.433 1.00 0.00 C ATOM 813 C TRP A 56 5.397 -4.687 -0.928 1.00 0.00 C ATOM 814 O TRP A 56 4.517 -4.823 -1.778 1.00 0.00 O ATOM 815 CB TRP A 56 5.260 -3.077 0.992 1.00 0.00 C ATOM 816 CG TRP A 56 5.633 -1.745 1.568 1.00 0.00 C ATOM 817 CD1 TRP A 56 6.737 -1.457 2.320 1.00 0.00 C ATOM 818 CD2 TRP A 56 4.901 -0.521 1.443 1.00 0.00 C ATOM 819 NE1 TRP A 56 6.734 -0.131 2.669 1.00 0.00 N ATOM 820 CE2 TRP A 56 5.619 0.465 2.143 1.00 0.00 C ATOM 821 CE3 TRP A 56 3.708 -0.161 0.806 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.186 1.783 2.225 1.00 0.00 C ATOM 823 CZ3 TRP A 56 3.277 1.148 0.888 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.016 2.109 1.595 1.00 0.00 C ATOM 0 H TRP A 56 4.226 -2.362 -1.476 1.00 0.00 H new ATOM 0 HA TRP A 56 6.867 -3.210 -0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.174 -3.173 0.992 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.650 -3.865 1.637 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.500 -2.169 2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.447 0.336 3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.134 -0.895 0.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.754 2.525 2.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.357 1.437 0.401 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.654 3.125 1.643 1.00 0.00 H new ATOM 835 N ALA A 57 6.052 -5.712 -0.405 1.00 0.00 N ATOM 836 CA ALA A 57 5.776 -7.080 -0.818 1.00 0.00 C ATOM 837 C ALA A 57 5.817 -8.022 0.375 1.00 0.00 C ATOM 838 O ALA A 57 6.731 -7.955 1.195 1.00 0.00 O ATOM 839 CB ALA A 57 6.770 -7.518 -1.884 1.00 0.00 C ATOM 0 H ALA A 57 6.778 -5.623 0.306 1.00 0.00 H new ATOM 0 HA ALA A 57 4.773 -7.118 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.553 -8.543 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.688 -6.861 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.782 -7.464 -1.482 1.00 0.00 H new ATOM 845 N PHE A 58 4.820 -8.892 0.475 1.00 0.00 N ATOM 846 CA PHE A 58 4.751 -9.859 1.563 1.00 0.00 C ATOM 847 C PHE A 58 4.487 -11.255 1.015 1.00 0.00 C ATOM 848 O PHE A 58 3.586 -11.449 0.199 1.00 0.00 O ATOM 849 CB PHE A 58 3.657 -9.486 2.569 1.00 0.00 C ATOM 850 CG PHE A 58 3.813 -8.107 3.147 1.00 0.00 C ATOM 851 CD1 PHE A 58 4.566 -7.905 4.295 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.210 -7.014 2.544 1.00 0.00 C ATOM 853 CE1 PHE A 58 4.715 -6.639 4.827 1.00 0.00 C ATOM 854 CE2 PHE A 58 3.357 -5.748 3.072 1.00 0.00 C ATOM 855 CZ PHE A 58 4.110 -5.559 4.216 1.00 0.00 C ATOM 0 H PHE A 58 4.046 -8.948 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 58 5.712 -9.848 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.686 -9.558 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.659 -10.213 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.041 -8.747 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.619 -7.155 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.304 -6.494 5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.884 -4.904 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.225 -4.568 4.631 1.00 0.00 H new ATOM 865 N PRO A 59 5.268 -12.250 1.462 1.00 0.00 N ATOM 866 CA PRO A 59 5.138 -13.636 0.992 1.00 0.00 C ATOM 867 C PRO A 59 3.820 -14.288 1.415 1.00 0.00 C ATOM 868 O PRO A 59 3.356 -15.234 0.781 1.00 0.00 O ATOM 869 CB PRO A 59 6.323 -14.360 1.654 1.00 0.00 C ATOM 870 CG PRO A 59 7.239 -13.278 2.118 1.00 0.00 C ATOM 871 CD PRO A 59 6.362 -12.105 2.435 1.00 0.00 C ATOM 0 HA PRO A 59 5.141 -13.685 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.990 -14.977 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.823 -15.022 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.802 -13.593 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.966 -13.025 1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.998 -12.137 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.890 -11.159 2.313 1.00 0.00 H new ATOM 879 N SER A 60 3.197 -13.764 2.464 1.00 0.00 N ATOM 880 CA SER A 60 2.004 -14.388 3.013 1.00 0.00 C ATOM 881 C SER A 60 0.813 -13.446 2.930 1.00 0.00 C ATOM 882 O SER A 60 0.914 -12.268 3.285 1.00 0.00 O ATOM 883 CB SER A 60 2.241 -14.810 4.465 1.00 0.00 C ATOM 884 OG SER A 60 1.115 -15.496 4.986 1.00 0.00 O ATOM 0 H SER A 60 3.496 -12.916 2.946 1.00 0.00 H new ATOM 0 HA SER A 60 1.783 -15.275 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.120 -15.452 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.449 -13.930 5.074 1.00 0.00 H new ATOM 0 HG SER A 60 1.291 -15.757 5.914 1.00 0.00 H new ATOM 890 N LYS A 61 -0.310 -13.967 2.446 1.00 0.00 N ATOM 891 CA LYS A 61 -1.544 -13.196 2.363 1.00 0.00 C ATOM 892 C LYS A 61 -2.011 -12.766 3.753 1.00 0.00 C ATOM 893 O LYS A 61 -2.620 -11.708 3.910 1.00 0.00 O ATOM 894 CB LYS A 61 -2.641 -14.000 1.651 1.00 0.00 C ATOM 895 CG LYS A 61 -3.074 -15.262 2.386 1.00 0.00 C ATOM 896 CD LYS A 61 -4.063 -16.073 1.560 1.00 0.00 C ATOM 897 CE LYS A 61 -4.618 -17.258 2.339 1.00 0.00 C ATOM 898 NZ LYS A 61 -5.482 -16.829 3.471 1.00 0.00 N ATOM 0 H LYS A 61 -0.390 -14.925 2.104 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.342 -12.299 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.511 -13.359 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.286 -14.276 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.199 -15.872 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.529 -14.992 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.884 -15.430 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.572 -16.431 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.192 -17.896 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.793 -17.859 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.997 -17.651 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.891 -16.419 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.162 -16.117 3.138 1.00 0.00 H new ATOM 912 N GLU A 62 -1.700 -13.580 4.759 1.00 0.00 N ATOM 913 CA GLU A 62 -2.090 -13.296 6.134 1.00 0.00 C ATOM 914 C GLU A 62 -1.472 -11.986 6.605 1.00 0.00 C ATOM 915 O GLU A 62 -2.160 -11.105 7.124 1.00 0.00 O ATOM 916 CB GLU A 62 -1.640 -14.432 7.050 1.00 0.00 C ATOM 917 CG GLU A 62 -2.239 -15.782 6.691 1.00 0.00 C ATOM 918 CD GLU A 62 -3.750 -15.756 6.696 1.00 0.00 C ATOM 919 OE1 GLU A 62 -4.344 -15.649 7.787 1.00 0.00 O ATOM 920 OE2 GLU A 62 -4.351 -15.830 5.605 1.00 0.00 O ATOM 0 H GLU A 62 -1.175 -14.447 4.644 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.176 -13.208 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.553 -14.506 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.910 -14.187 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.886 -16.084 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.888 -16.533 7.399 1.00 0.00 H new ATOM 927 N GLU A 63 -0.170 -11.872 6.403 1.00 0.00 N ATOM 928 CA GLU A 63 0.561 -10.677 6.781 1.00 0.00 C ATOM 929 C GLU A 63 0.087 -9.486 5.960 1.00 0.00 C ATOM 930 O GLU A 63 -0.043 -8.381 6.476 1.00 0.00 O ATOM 931 CB GLU A 63 2.065 -10.891 6.584 1.00 0.00 C ATOM 932 CG GLU A 63 2.632 -12.009 7.440 1.00 0.00 C ATOM 933 CD GLU A 63 2.442 -11.762 8.924 1.00 0.00 C ATOM 934 OE1 GLU A 63 1.322 -11.985 9.432 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.412 -11.349 9.592 1.00 0.00 O ATOM 0 H GLU A 63 0.405 -12.599 5.976 1.00 0.00 H new ATOM 0 HA GLU A 63 0.372 -10.472 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.258 -11.113 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.590 -9.964 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.152 -12.949 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.695 -12.121 7.227 1.00 0.00 H new ATOM 942 N ALA A 64 -0.193 -9.736 4.689 1.00 0.00 N ATOM 943 CA ALA A 64 -0.630 -8.689 3.774 1.00 0.00 C ATOM 944 C ALA A 64 -1.983 -8.108 4.186 1.00 0.00 C ATOM 945 O ALA A 64 -2.169 -6.891 4.193 1.00 0.00 O ATOM 946 CB ALA A 64 -0.691 -9.234 2.353 1.00 0.00 C ATOM 0 H ALA A 64 -0.125 -10.661 4.265 1.00 0.00 H new ATOM 0 HA ALA A 64 0.098 -7.879 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.018 -8.446 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.298 -9.582 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.396 -10.064 2.312 1.00 0.00 H new ATOM 952 N MET A 65 -2.921 -8.979 4.549 1.00 0.00 N ATOM 953 CA MET A 65 -4.270 -8.543 4.907 1.00 0.00 C ATOM 954 C MET A 65 -4.266 -7.697 6.176 1.00 0.00 C ATOM 955 O MET A 65 -4.941 -6.668 6.245 1.00 0.00 O ATOM 956 CB MET A 65 -5.205 -9.740 5.088 1.00 0.00 C ATOM 957 CG MET A 65 -5.492 -10.491 3.798 1.00 0.00 C ATOM 958 SD MET A 65 -6.675 -11.837 4.027 1.00 0.00 S ATOM 959 CE MET A 65 -5.829 -12.834 5.253 1.00 0.00 C ATOM 0 H MET A 65 -2.774 -9.987 4.603 1.00 0.00 H new ATOM 0 HA MET A 65 -4.636 -7.929 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.764 -10.429 5.809 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.147 -9.393 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.879 -9.794 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.560 -10.895 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.376 -13.764 5.406 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.820 -13.059 4.906 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.776 -12.286 6.194 1.00 0.00 H new ATOM 969 N ARG A 66 -3.509 -8.132 7.180 1.00 0.00 N ATOM 970 CA ARG A 66 -3.416 -7.391 8.434 1.00 0.00 C ATOM 971 C ARG A 66 -2.687 -6.074 8.204 1.00 0.00 C ATOM 972 O ARG A 66 -3.081 -5.032 8.727 1.00 0.00 O ATOM 973 CB ARG A 66 -2.691 -8.205 9.510 1.00 0.00 C ATOM 974 CG ARG A 66 -3.356 -9.535 9.827 1.00 0.00 C ATOM 975 CD ARG A 66 -2.738 -10.194 11.053 1.00 0.00 C ATOM 976 NE ARG A 66 -1.310 -10.468 10.879 1.00 0.00 N ATOM 977 CZ ARG A 66 -0.374 -10.136 11.771 1.00 0.00 C ATOM 978 NH1 ARG A 66 -0.704 -9.484 12.880 1.00 0.00 N ATOM 979 NH2 ARG A 66 0.892 -10.457 11.548 1.00 0.00 N ATOM 0 H ARG A 66 -2.955 -8.988 7.150 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.429 -7.192 8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.667 -8.390 9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.633 -7.612 10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.421 -9.378 9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.264 -10.202 8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.878 -9.547 11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.261 -11.127 11.263 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.013 -10.941 10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.677 -9.234 13.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.016 -9.233 13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.149 -10.956 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.609 -10.205 12.228 1.00 0.00 H new ATOM 993 N TRP A 67 -1.637 -6.144 7.397 1.00 0.00 N ATOM 994 CA TRP A 67 -0.821 -4.987 7.056 1.00 0.00 C ATOM 995 C TRP A 67 -1.666 -3.853 6.465 1.00 0.00 C ATOM 996 O TRP A 67 -1.678 -2.741 6.990 1.00 0.00 O ATOM 997 CB TRP A 67 0.276 -5.440 6.077 1.00 0.00 C ATOM 998 CG TRP A 67 0.494 -4.540 4.911 1.00 0.00 C ATOM 999 CD1 TRP A 67 -0.049 -4.666 3.670 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.325 -3.389 4.870 1.00 0.00 C ATOM 1001 NE1 TRP A 67 0.374 -3.645 2.874 1.00 0.00 N ATOM 1002 CE2 TRP A 67 1.230 -2.855 3.578 1.00 0.00 C ATOM 1003 CE3 TRP A 67 2.134 -2.758 5.804 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 1.913 -1.718 3.193 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 2.827 -1.625 5.423 1.00 0.00 C ATOM 1006 CH2 TRP A 67 2.710 -1.119 4.122 1.00 0.00 C ATOM 0 H TRP A 67 -1.326 -7.010 6.958 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.363 -4.586 7.960 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.214 -5.533 6.625 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.023 -6.434 5.707 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.716 -5.458 3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.094 -3.496 1.905 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.220 -3.145 6.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.819 -1.319 2.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.466 -1.124 6.136 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.264 -0.233 3.849 1.00 0.00 H new ATOM 1017 N GLU A 68 -2.365 -4.153 5.377 1.00 0.00 N ATOM 1018 CA GLU A 68 -3.180 -3.166 4.666 1.00 0.00 C ATOM 1019 C GLU A 68 -4.220 -2.560 5.589 1.00 0.00 C ATOM 1020 O GLU A 68 -4.433 -1.348 5.600 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.883 -3.814 3.474 1.00 0.00 C ATOM 1022 CG GLU A 68 -4.603 -2.816 2.574 1.00 0.00 C ATOM 1023 CD GLU A 68 -5.707 -3.445 1.746 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -5.521 -4.569 1.240 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -6.779 -2.811 1.604 1.00 0.00 O ATOM 0 H GLU A 68 -2.385 -5.084 4.961 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.515 -2.378 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.148 -4.360 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.603 -4.545 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.027 -2.022 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.878 -2.350 1.907 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.868 -3.424 6.353 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.873 -2.994 7.320 1.00 0.00 C ATOM 1034 C TYR A 69 -5.276 -1.979 8.295 1.00 0.00 C ATOM 1035 O TYR A 69 -5.878 -0.937 8.576 1.00 0.00 O ATOM 1036 CB TYR A 69 -6.424 -4.202 8.083 1.00 0.00 C ATOM 1037 CG TYR A 69 -7.608 -3.883 8.969 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.868 -3.676 8.423 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -7.468 -3.795 10.348 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.954 -3.387 9.223 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -8.551 -3.509 11.155 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.788 -3.306 10.588 1.00 0.00 C ATOM 1043 OH TYR A 69 -10.867 -3.015 11.390 1.00 0.00 O ATOM 0 H TYR A 69 -4.717 -4.432 6.324 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.692 -2.517 6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.716 -4.969 7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.628 -4.625 8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.000 -3.742 7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.498 -3.953 10.796 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.927 -3.226 8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.428 -3.445 12.226 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.582 -2.996 12.327 1.00 0.00 H new ATOM 1053 N GLU A 70 -4.083 -2.280 8.791 1.00 0.00 N ATOM 1054 CA GLU A 70 -3.378 -1.379 9.691 1.00 0.00 C ATOM 1055 C GLU A 70 -3.061 -0.055 9.004 1.00 0.00 C ATOM 1056 O GLU A 70 -3.295 1.005 9.574 1.00 0.00 O ATOM 1057 CB GLU A 70 -2.097 -2.031 10.211 1.00 0.00 C ATOM 1058 CG GLU A 70 -2.354 -3.169 11.186 1.00 0.00 C ATOM 1059 CD GLU A 70 -1.090 -3.902 11.584 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -0.021 -3.260 11.664 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -1.158 -5.130 11.808 1.00 0.00 O ATOM 0 H GLU A 70 -3.583 -3.144 8.584 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.031 -1.173 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.521 -2.409 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.485 -1.274 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.835 -2.773 12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.051 -3.876 10.736 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.555 -0.119 7.771 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.232 1.085 7.004 1.00 0.00 C ATOM 1070 C VAL A 71 -3.475 1.937 6.784 1.00 0.00 C ATOM 1071 O VAL A 71 -3.432 3.166 6.865 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.607 0.736 5.636 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -1.300 1.994 4.837 1.00 0.00 C ATOM 1074 CG2 VAL A 71 -0.349 -0.092 5.825 1.00 0.00 C ATOM 0 H VAL A 71 -2.360 -0.993 7.282 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.504 1.649 7.587 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.332 0.148 5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.861 1.718 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.221 2.551 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.598 2.615 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.080 -0.330 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.375 0.474 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.597 -1.016 6.348 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.584 1.264 6.528 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.867 1.920 6.336 1.00 0.00 C ATOM 1086 C LYS A 72 -6.289 2.642 7.621 1.00 0.00 C ATOM 1087 O LYS A 72 -7.032 3.621 7.586 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.894 0.857 5.938 1.00 0.00 C ATOM 1089 CG LYS A 72 -8.139 1.391 5.250 1.00 0.00 C ATOM 1090 CD LYS A 72 -8.929 0.255 4.614 1.00 0.00 C ATOM 1091 CE LYS A 72 -8.131 -0.426 3.501 1.00 0.00 C ATOM 1092 NZ LYS A 72 -8.740 -1.714 3.074 1.00 0.00 N ATOM 0 H LYS A 72 -4.621 0.248 6.447 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.796 2.669 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.412 0.138 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.197 0.313 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.764 1.916 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.857 2.116 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.192 -0.479 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.864 0.642 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.065 0.243 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.112 -0.605 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.029 -2.285 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.075 -2.234 3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.542 -1.525 2.439 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.791 2.149 8.749 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.070 2.745 10.052 1.00 0.00 C ATOM 1108 C HIS A 73 -4.915 3.624 10.542 1.00 0.00 C ATOM 1109 O HIS A 73 -4.931 4.091 11.681 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.364 1.654 11.088 1.00 0.00 C ATOM 1111 CG HIS A 73 -7.722 1.034 10.951 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -8.398 0.467 12.010 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -8.530 0.891 9.874 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -9.563 0.006 11.591 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -9.667 0.251 10.299 1.00 0.00 N ATOM 0 H HIS A 73 -5.185 1.329 8.788 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.947 3.381 9.932 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.609 0.873 11.002 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.270 2.080 12.087 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.319 1.220 8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.304 -0.487 12.202 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.463 0.005 9.711 1.00 0.00 H new ATOM 1124 N LEU A 74 -3.912 3.839 9.698 1.00 0.00 N ATOM 1125 CA LEU A 74 -2.744 4.622 10.100 1.00 0.00 C ATOM 1126 C LEU A 74 -3.015 6.116 10.003 1.00 0.00 C ATOM 1127 O LEU A 74 -3.723 6.576 9.107 1.00 0.00 O ATOM 1128 CB LEU A 74 -1.515 4.254 9.261 1.00 0.00 C ATOM 1129 CG LEU A 74 -0.937 2.865 9.533 1.00 0.00 C ATOM 1130 CD1 LEU A 74 0.316 2.644 8.707 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -0.645 2.680 11.015 1.00 0.00 C ATOM 0 H LEU A 74 -3.881 3.488 8.741 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.538 4.379 11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.782 4.320 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.737 4.996 9.440 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.679 2.121 9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.716 1.651 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.073 2.726 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.061 3.396 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.235 1.684 11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.076 3.430 11.340 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.567 2.793 11.585 1.00 0.00 H new ATOM 1143 N SER A 75 -2.456 6.867 10.944 1.00 0.00 N ATOM 1144 CA SER A 75 -2.602 8.316 10.964 1.00 0.00 C ATOM 1145 C SER A 75 -1.692 8.941 9.910 1.00 0.00 C ATOM 1146 O SER A 75 -0.909 8.231 9.271 1.00 0.00 O ATOM 1147 CB SER A 75 -2.247 8.851 12.351 1.00 0.00 C ATOM 1148 OG SER A 75 -2.866 8.082 13.370 1.00 0.00 O ATOM 0 H SER A 75 -1.894 6.492 11.708 1.00 0.00 H new ATOM 0 HA SER A 75 -3.636 8.578 10.738 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.165 8.834 12.485 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.562 9.891 12.434 1.00 0.00 H new ATOM 0 HG SER A 75 -2.621 8.444 14.247 1.00 0.00 H new ATOM 1154 N ARG A 76 -1.764 10.263 9.742 1.00 0.00 N ATOM 1155 CA ARG A 76 -0.944 10.936 8.736 1.00 0.00 C ATOM 1156 C ARG A 76 0.536 10.681 8.995 1.00 0.00 C ATOM 1157 O ARG A 76 1.278 10.348 8.080 1.00 0.00 O ATOM 1158 CB ARG A 76 -1.209 12.453 8.691 1.00 0.00 C ATOM 1159 CG ARG A 76 -0.850 13.194 9.971 1.00 0.00 C ATOM 1160 CD ARG A 76 -0.693 14.688 9.732 1.00 0.00 C ATOM 1161 NE ARG A 76 0.458 14.986 8.876 1.00 0.00 N ATOM 1162 CZ ARG A 76 0.924 16.211 8.638 1.00 0.00 C ATOM 1163 NH1 ARG A 76 0.375 17.262 9.238 1.00 0.00 N ATOM 1164 NH2 ARG A 76 1.953 16.379 7.817 1.00 0.00 N ATOM 0 H ARG A 76 -2.372 10.880 10.281 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.222 10.519 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.642 12.884 7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.264 12.619 8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.625 13.025 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.078 12.791 10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.600 15.079 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.576 15.198 10.688 1.00 0.00 H new ATOM 0 HE ARG A 76 0.935 14.202 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.405 17.132 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.734 18.199 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.386 15.571 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.311 17.316 7.633 1.00 0.00 H new ATOM 1178 N ARG A 77 0.936 10.780 10.257 1.00 0.00 N ATOM 1179 CA ARG A 77 2.336 10.664 10.641 1.00 0.00 C ATOM 1180 C ARG A 77 2.876 9.270 10.346 1.00 0.00 C ATOM 1181 O ARG A 77 4.072 9.090 10.132 1.00 0.00 O ATOM 1182 CB ARG A 77 2.487 10.979 12.130 1.00 0.00 C ATOM 1183 CG ARG A 77 1.626 10.092 13.009 1.00 0.00 C ATOM 1184 CD ARG A 77 1.724 10.469 14.478 1.00 0.00 C ATOM 1185 NE ARG A 77 0.806 9.677 15.295 1.00 0.00 N ATOM 1186 CZ ARG A 77 0.253 10.102 16.429 1.00 0.00 C ATOM 1187 NH1 ARG A 77 0.569 11.285 16.937 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -0.614 9.325 17.060 1.00 0.00 N ATOM 0 H ARG A 77 0.302 10.942 11.039 1.00 0.00 H new ATOM 0 HA ARG A 77 2.913 11.379 10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.532 10.863 12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.223 12.022 12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.587 10.163 12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.930 9.053 12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.746 10.318 14.826 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.499 11.529 14.599 1.00 0.00 H new ATOM 0 HE ARG A 77 0.574 8.737 14.975 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.243 11.882 16.458 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.138 11.598 17.807 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.852 8.410 16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.043 9.641 17.930 1.00 0.00 H new ATOM 1202 N LYS A 78 1.991 8.285 10.326 1.00 0.00 N ATOM 1203 CA LYS A 78 2.390 6.908 10.089 1.00 0.00 C ATOM 1204 C LYS A 78 2.431 6.619 8.595 1.00 0.00 C ATOM 1205 O LYS A 78 3.324 5.922 8.116 1.00 0.00 O ATOM 1206 CB LYS A 78 1.428 5.948 10.786 1.00 0.00 C ATOM 1207 CG LYS A 78 2.125 4.916 11.657 1.00 0.00 C ATOM 1208 CD LYS A 78 3.003 3.994 10.831 1.00 0.00 C ATOM 1209 CE LYS A 78 3.681 2.944 11.691 1.00 0.00 C ATOM 1210 NZ LYS A 78 4.435 3.555 12.818 1.00 0.00 N ATOM 0 H LYS A 78 0.990 8.415 10.471 1.00 0.00 H new ATOM 0 HA LYS A 78 3.388 6.761 10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.736 6.523 11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.832 5.433 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.732 5.422 12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.380 4.328 12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.399 3.504 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.759 4.582 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.931 2.258 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.361 2.354 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.106 2.860 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.957 4.387 12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.770 3.845 13.563 1.00 0.00 H new ATOM 1224 N LYS A 79 1.464 7.160 7.866 1.00 0.00 N ATOM 1225 CA LYS A 79 1.449 7.044 6.414 1.00 0.00 C ATOM 1226 C LYS A 79 2.638 7.795 5.823 1.00 0.00 C ATOM 1227 O LYS A 79 3.312 7.307 4.917 1.00 0.00 O ATOM 1228 CB LYS A 79 0.135 7.587 5.843 1.00 0.00 C ATOM 1229 CG LYS A 79 -1.077 6.747 6.215 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.363 7.359 5.683 1.00 0.00 C ATOM 1231 CE LYS A 79 -3.555 6.441 5.903 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.828 7.077 5.473 1.00 0.00 N ATOM 0 H LYS A 79 0.680 7.683 8.256 1.00 0.00 H new ATOM 0 HA LYS A 79 1.526 5.991 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.015 8.606 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.213 7.638 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.960 5.740 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.138 6.655 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.543 8.314 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.254 7.566 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.407 5.514 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.620 6.176 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.617 6.420 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.982 7.949 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.776 7.307 4.460 1.00 0.00 H new ATOM 1246 N GLU A 80 2.895 8.984 6.363 1.00 0.00 N ATOM 1247 CA GLU A 80 4.052 9.778 5.973 1.00 0.00 C ATOM 1248 C GLU A 80 5.345 9.069 6.358 1.00 0.00 C ATOM 1249 O GLU A 80 6.342 9.158 5.647 1.00 0.00 O ATOM 1250 CB GLU A 80 3.988 11.161 6.629 1.00 0.00 C ATOM 1251 CG GLU A 80 2.877 12.036 6.072 1.00 0.00 C ATOM 1252 CD GLU A 80 2.724 13.331 6.833 1.00 0.00 C ATOM 1253 OE1 GLU A 80 2.300 13.288 8.007 1.00 0.00 O ATOM 1254 OE2 GLU A 80 3.014 14.403 6.263 1.00 0.00 O ATOM 0 H GLU A 80 2.311 9.419 7.077 1.00 0.00 H new ATOM 0 HA GLU A 80 4.038 9.901 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.843 11.041 7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.944 11.666 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.083 12.256 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.936 11.487 6.103 1.00 0.00 H new ATOM 1261 N GLN A 81 5.318 8.358 7.481 1.00 0.00 N ATOM 1262 CA GLN A 81 6.460 7.566 7.916 1.00 0.00 C ATOM 1263 C GLN A 81 6.749 6.471 6.900 1.00 0.00 C ATOM 1264 O GLN A 81 7.877 6.319 6.445 1.00 0.00 O ATOM 1265 CB GLN A 81 6.193 6.935 9.283 1.00 0.00 C ATOM 1266 CG GLN A 81 7.383 6.181 9.852 1.00 0.00 C ATOM 1267 CD GLN A 81 7.012 5.306 11.033 1.00 0.00 C ATOM 1268 OE1 GLN A 81 6.067 5.593 11.768 1.00 0.00 O ATOM 1269 NE2 GLN A 81 7.759 4.235 11.225 1.00 0.00 N ATOM 0 H GLN A 81 4.514 8.315 8.107 1.00 0.00 H new ATOM 0 HA GLN A 81 7.323 8.227 7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.902 7.718 9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.348 6.252 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.823 5.562 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.147 6.895 10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.533 4.033 10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.562 3.609 12.006 1.00 0.00 H new ATOM 1278 N LEU A 82 5.706 5.731 6.543 1.00 0.00 N ATOM 1279 CA LEU A 82 5.813 4.642 5.578 1.00 0.00 C ATOM 1280 C LEU A 82 6.354 5.131 4.235 1.00 0.00 C ATOM 1281 O LEU A 82 7.178 4.465 3.606 1.00 0.00 O ATOM 1282 CB LEU A 82 4.445 3.975 5.387 1.00 0.00 C ATOM 1283 CG LEU A 82 4.094 2.896 6.412 1.00 0.00 C ATOM 1284 CD1 LEU A 82 2.714 2.325 6.126 1.00 0.00 C ATOM 1285 CD2 LEU A 82 5.139 1.791 6.399 1.00 0.00 C ATOM 0 H LEU A 82 4.765 5.868 6.912 1.00 0.00 H new ATOM 0 HA LEU A 82 6.519 3.912 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.676 4.747 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.411 3.532 4.392 1.00 0.00 H new ATOM 0 HG LEU A 82 4.084 3.349 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.478 1.558 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.972 3.122 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.702 1.885 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.874 1.031 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.178 1.339 5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.115 2.210 6.646 1.00 0.00 H new ATOM 1297 N VAL A 83 5.893 6.300 3.811 1.00 0.00 N ATOM 1298 CA VAL A 83 6.308 6.875 2.537 1.00 0.00 C ATOM 1299 C VAL A 83 7.713 7.460 2.605 1.00 0.00 C ATOM 1300 O VAL A 83 8.553 7.165 1.756 1.00 0.00 O ATOM 1301 CB VAL A 83 5.315 7.951 2.063 1.00 0.00 C ATOM 1302 CG1 VAL A 83 5.882 8.751 0.900 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.012 7.287 1.670 1.00 0.00 C ATOM 0 H VAL A 83 5.228 6.871 4.333 1.00 0.00 H new ATOM 0 HA VAL A 83 6.317 6.059 1.814 1.00 0.00 H new ATOM 0 HB VAL A 83 5.135 8.649 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.157 9.503 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.804 9.243 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.092 8.081 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.305 8.045 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.194 6.577 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.598 6.761 2.530 1.00 0.00 H new ATOM 1313 N SER A 84 7.975 8.267 3.628 1.00 0.00 N ATOM 1314 CA SER A 84 9.270 8.918 3.768 1.00 0.00 C ATOM 1315 C SER A 84 10.349 7.888 4.091 1.00 0.00 C ATOM 1316 O SER A 84 11.547 8.169 3.993 1.00 0.00 O ATOM 1317 CB SER A 84 9.212 9.990 4.861 1.00 0.00 C ATOM 1318 OG SER A 84 10.402 10.764 4.893 1.00 0.00 O ATOM 0 H SER A 84 7.309 8.485 4.369 1.00 0.00 H new ATOM 0 HA SER A 84 9.521 9.399 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.357 10.643 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.059 9.515 5.830 1.00 0.00 H new ATOM 0 HG SER A 84 10.334 11.440 5.599 1.00 0.00 H new ATOM 1324 N LEU A 85 9.917 6.701 4.493 1.00 0.00 N ATOM 1325 CA LEU A 85 10.827 5.602 4.755 1.00 0.00 C ATOM 1326 C LEU A 85 11.407 5.074 3.450 1.00 0.00 C ATOM 1327 O LEU A 85 12.620 4.882 3.334 1.00 0.00 O ATOM 1328 CB LEU A 85 10.108 4.476 5.504 1.00 0.00 C ATOM 1329 CG LEU A 85 10.981 3.277 5.881 1.00 0.00 C ATOM 1330 CD1 LEU A 85 12.122 3.713 6.785 1.00 0.00 C ATOM 1331 CD2 LEU A 85 10.137 2.210 6.562 1.00 0.00 C ATOM 0 H LEU A 85 8.934 6.477 4.645 1.00 0.00 H new ATOM 0 HA LEU A 85 11.641 5.971 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.673 4.888 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.281 4.123 4.888 1.00 0.00 H new ATOM 0 HG LEU A 85 11.409 2.855 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.733 2.848 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.736 4.449 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.717 4.156 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.768 1.361 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.687 2.623 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.350 1.880 5.883 1.00 0.00 H new ATOM 1343 N LYS A 86 10.545 4.846 2.462 1.00 0.00 N ATOM 1344 CA LYS A 86 11.003 4.320 1.187 1.00 0.00 C ATOM 1345 C LYS A 86 11.671 5.421 0.369 1.00 0.00 C ATOM 1346 O LYS A 86 11.430 6.605 0.595 1.00 0.00 O ATOM 1347 CB LYS A 86 9.843 3.716 0.387 1.00 0.00 C ATOM 1348 CG LYS A 86 10.316 2.752 -0.690 1.00 0.00 C ATOM 1349 CD LYS A 86 9.240 2.457 -1.720 1.00 0.00 C ATOM 1350 CE LYS A 86 9.690 1.371 -2.686 1.00 0.00 C ATOM 1351 NZ LYS A 86 11.007 1.677 -3.313 1.00 0.00 N ATOM 0 H LYS A 86 9.541 5.015 2.521 1.00 0.00 H new ATOM 0 HA LYS A 86 11.727 3.532 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.170 3.194 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.269 4.519 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.188 3.172 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.634 1.819 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.326 2.144 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.003 3.366 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.755 0.421 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.939 1.249 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.183 1.012 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.998 2.649 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.760 1.584 -2.602 1.00 0.00 H new ATOM 1365 N GLY A 87 12.504 5.029 -0.584 1.00 0.00 N ATOM 1366 CA GLY A 87 13.127 5.995 -1.466 1.00 0.00 C ATOM 1367 C GLY A 87 12.317 6.204 -2.729 1.00 0.00 C ATOM 1368 O GLY A 87 12.868 6.498 -3.790 1.00 0.00 O ATOM 0 H GLY A 87 12.760 4.058 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.239 6.945 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.129 5.655 -1.728 1.00 0.00 H new ATOM 1372 N GLY A 88 11.001 6.059 -2.602 1.00 0.00 N ATOM 1373 CA GLY A 88 10.108 6.164 -3.740 1.00 0.00 C ATOM 1374 C GLY A 88 10.382 5.120 -4.811 1.00 0.00 C ATOM 1375 O GLY A 88 11.271 4.275 -4.660 1.00 0.00 O ATOM 0 H GLY A 88 10.533 5.868 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.078 6.062 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.202 7.158 -4.177 1.00 0.00 H new ATOM 1379 N PRO A 89 9.584 5.117 -5.879 1.00 0.00 N ATOM 1380 CA PRO A 89 9.817 4.291 -7.050 1.00 0.00 C ATOM 1381 C PRO A 89 10.547 5.058 -8.152 1.00 0.00 C ATOM 1382 O PRO A 89 10.745 6.271 -8.051 1.00 0.00 O ATOM 1383 CB PRO A 89 8.391 3.973 -7.486 1.00 0.00 C ATOM 1384 CG PRO A 89 7.614 5.210 -7.152 1.00 0.00 C ATOM 1385 CD PRO A 89 8.347 5.897 -6.020 1.00 0.00 C ATOM 0 HA PRO A 89 10.441 3.421 -6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.342 3.749 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.999 3.103 -6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.541 5.866 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.596 4.958 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.557 6.941 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.762 5.888 -5.101 1.00 0.00 H new ATOM 1393 N TYR A 90 10.956 4.353 -9.196 1.00 0.00 N ATOM 1394 CA TYR A 90 11.532 5.004 -10.363 1.00 0.00 C ATOM 1395 C TYR A 90 10.422 5.369 -11.338 1.00 0.00 C ATOM 1396 O TYR A 90 10.102 6.546 -11.519 1.00 0.00 O ATOM 1397 CB TYR A 90 12.563 4.086 -11.037 1.00 0.00 C ATOM 1398 CG TYR A 90 13.345 4.749 -12.154 1.00 0.00 C ATOM 1399 CD1 TYR A 90 14.233 5.784 -11.888 1.00 0.00 C ATOM 1400 CD2 TYR A 90 13.204 4.330 -13.473 1.00 0.00 C ATOM 1401 CE1 TYR A 90 14.958 6.381 -12.902 1.00 0.00 C ATOM 1402 CE2 TYR A 90 13.924 4.925 -14.493 1.00 0.00 C ATOM 1403 CZ TYR A 90 14.801 5.950 -14.200 1.00 0.00 C ATOM 1404 OH TYR A 90 15.528 6.543 -15.211 1.00 0.00 O ATOM 0 H TYR A 90 10.900 3.336 -9.259 1.00 0.00 H new ATOM 0 HA TYR A 90 12.045 5.913 -10.050 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.262 3.727 -10.282 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.049 3.212 -11.437 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.359 6.128 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.521 3.526 -13.704 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.645 7.183 -12.677 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.801 4.590 -15.512 1.00 0.00 H new ATOM 0 HH TYR A 90 15.301 6.123 -16.067 1.00 0.00 H new ATOM 1414 N GLU A 91 9.820 4.340 -11.927 1.00 0.00 N ATOM 1415 CA GLU A 91 8.702 4.496 -12.855 1.00 0.00 C ATOM 1416 C GLU A 91 9.068 5.407 -14.028 1.00 0.00 C ATOM 1417 O GLU A 91 10.237 5.502 -14.401 1.00 0.00 O ATOM 1418 CB GLU A 91 7.464 5.032 -12.128 1.00 0.00 C ATOM 1419 CG GLU A 91 6.255 4.114 -12.240 1.00 0.00 C ATOM 1420 CD GLU A 91 6.196 3.367 -13.563 1.00 0.00 C ATOM 1421 OE1 GLU A 91 6.149 4.015 -14.630 1.00 0.00 O ATOM 1422 OE2 GLU A 91 6.202 2.118 -13.536 1.00 0.00 O ATOM 0 H GLU A 91 10.094 3.370 -11.774 1.00 0.00 H new ATOM 0 HA GLU A 91 8.471 3.510 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.704 5.178 -11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.208 6.010 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.276 3.393 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.346 4.704 -12.121 1.00 0.00 H new ATOM 1429 N ASN A 92 8.048 6.051 -14.611 1.00 0.00 N ATOM 1430 CA ASN A 92 8.212 6.913 -15.784 1.00 0.00 C ATOM 1431 C ASN A 92 8.499 6.042 -16.999 1.00 0.00 C ATOM 1432 O ASN A 92 9.163 6.452 -17.952 1.00 0.00 O ATOM 1433 CB ASN A 92 9.324 7.959 -15.582 1.00 0.00 C ATOM 1434 CG ASN A 92 9.012 8.955 -14.476 1.00 0.00 C ATOM 1435 OD1 ASN A 92 8.324 9.954 -14.693 1.00 0.00 O ATOM 1436 ND2 ASN A 92 9.530 8.705 -13.284 1.00 0.00 N ATOM 0 H ASN A 92 7.085 5.987 -14.280 1.00 0.00 H new ATOM 0 HA ASN A 92 7.288 7.470 -15.939 1.00 0.00 H new ATOM 0 HB2 ASN A 92 10.258 7.447 -15.349 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.481 8.499 -16.516 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.364 9.349 -12.511 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.095 7.868 -13.139 1.00 0.00 H new ATOM 1443 N THR A 93 7.934 4.843 -16.967 1.00 0.00 N ATOM 1444 CA THR A 93 8.153 3.849 -18.004 1.00 0.00 C ATOM 1445 C THR A 93 7.222 4.073 -19.196 1.00 0.00 C ATOM 1446 O THR A 93 6.801 3.117 -19.856 1.00 0.00 O ATOM 1447 CB THR A 93 7.949 2.427 -17.441 1.00 0.00 C ATOM 1448 OG1 THR A 93 6.681 2.326 -16.769 1.00 0.00 O ATOM 1449 CG2 THR A 93 9.065 2.071 -16.471 1.00 0.00 C ATOM 0 H THR A 93 7.311 4.534 -16.221 1.00 0.00 H new ATOM 0 HA THR A 93 9.182 3.954 -18.349 1.00 0.00 H new ATOM 0 HB THR A 93 7.966 1.729 -18.278 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.685 2.900 -15.975 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.904 1.065 -16.084 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.024 2.112 -16.988 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.069 2.781 -15.644 1.00 0.00 H new ATOM 1457 N THR A 94 6.943 5.338 -19.484 1.00 0.00 N ATOM 1458 CA THR A 94 6.011 5.715 -20.535 1.00 0.00 C ATOM 1459 C THR A 94 6.522 5.322 -21.926 1.00 0.00 C ATOM 1460 O THR A 94 7.259 6.071 -22.570 1.00 0.00 O ATOM 1461 CB THR A 94 5.728 7.230 -20.499 1.00 0.00 C ATOM 1462 OG1 THR A 94 5.338 7.617 -19.171 1.00 0.00 O ATOM 1463 CG2 THR A 94 4.628 7.610 -21.482 1.00 0.00 C ATOM 0 H THR A 94 7.358 6.131 -18.994 1.00 0.00 H new ATOM 0 HA THR A 94 5.087 5.169 -20.346 1.00 0.00 H new ATOM 0 HB THR A 94 6.640 7.753 -20.787 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.899 8.362 -18.869 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.452 8.685 -21.433 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.933 7.338 -22.492 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.711 7.080 -21.225 1.00 0.00 H new ATOM 1471 N LYS A 95 6.154 4.117 -22.345 1.00 0.00 N ATOM 1472 CA LYS A 95 6.395 3.644 -23.705 1.00 0.00 C ATOM 1473 C LYS A 95 5.656 2.328 -23.928 1.00 0.00 C ATOM 1474 O LYS A 95 5.016 2.135 -24.959 1.00 0.00 O ATOM 1475 CB LYS A 95 7.894 3.464 -23.994 1.00 0.00 C ATOM 1476 CG LYS A 95 8.554 2.345 -23.204 1.00 0.00 C ATOM 1477 CD LYS A 95 9.892 1.956 -23.811 1.00 0.00 C ATOM 1478 CE LYS A 95 10.498 0.757 -23.102 1.00 0.00 C ATOM 1479 NZ LYS A 95 10.842 1.062 -21.692 1.00 0.00 N ATOM 0 H LYS A 95 5.679 3.438 -21.751 1.00 0.00 H new ATOM 0 HA LYS A 95 6.019 4.400 -24.394 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.026 3.268 -25.058 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.409 4.400 -23.776 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.699 2.662 -22.171 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.896 1.476 -23.181 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.760 1.726 -24.868 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.579 2.800 -23.752 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.795 -0.076 -23.132 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.394 0.437 -23.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.977 0.174 -21.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.720 1.619 -21.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.071 1.608 -21.257 1.00 0.00 H new ATOM 1493 N LEU A 96 5.766 1.437 -22.937 1.00 0.00 N ATOM 1494 CA LEU A 96 5.061 0.156 -22.922 1.00 0.00 C ATOM 1495 C LEU A 96 5.356 -0.685 -24.165 1.00 0.00 C ATOM 1496 O LEU A 96 4.536 -0.786 -25.080 1.00 0.00 O ATOM 1497 CB LEU A 96 3.562 0.395 -22.774 1.00 0.00 C ATOM 1498 CG LEU A 96 3.178 1.219 -21.543 1.00 0.00 C ATOM 1499 CD1 LEU A 96 1.744 1.699 -21.651 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.377 0.415 -20.265 1.00 0.00 C ATOM 0 H LEU A 96 6.353 1.588 -22.117 1.00 0.00 H new ATOM 0 HA LEU A 96 5.424 -0.413 -22.066 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.196 0.903 -23.666 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.055 -0.568 -22.725 1.00 0.00 H new ATOM 0 HG LEU A 96 3.833 2.089 -21.501 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.488 2.283 -20.767 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.634 2.320 -22.540 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.077 0.840 -21.723 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.097 1.023 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.753 -0.478 -20.296 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.424 0.124 -20.178 1.00 0.00 H new ATOM 1512 N SER A 97 6.532 -1.292 -24.190 1.00 0.00 N ATOM 1513 CA SER A 97 6.927 -2.141 -25.302 1.00 0.00 C ATOM 1514 C SER A 97 6.529 -3.592 -25.039 1.00 0.00 C ATOM 1515 O SER A 97 7.384 -4.472 -24.925 1.00 0.00 O ATOM 1516 CB SER A 97 8.438 -2.036 -25.520 1.00 0.00 C ATOM 1517 OG SER A 97 8.854 -0.680 -25.543 1.00 0.00 O ATOM 0 H SER A 97 7.231 -1.212 -23.451 1.00 0.00 H new ATOM 0 HA SER A 97 6.412 -1.804 -26.202 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.962 -2.568 -24.726 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.708 -2.519 -26.459 1.00 0.00 H new ATOM 0 HG SER A 97 9.823 -0.637 -25.682 1.00 0.00 H new ATOM 1523 N THR A 98 5.229 -3.832 -24.939 1.00 0.00 N ATOM 1524 CA THR A 98 4.720 -5.151 -24.590 1.00 0.00 C ATOM 1525 C THR A 98 4.222 -5.905 -25.828 1.00 0.00 C ATOM 1526 O THR A 98 3.961 -7.106 -25.767 1.00 0.00 O ATOM 1527 CB THR A 98 3.585 -5.039 -23.539 1.00 0.00 C ATOM 1528 OG1 THR A 98 3.165 -6.339 -23.094 1.00 0.00 O ATOM 1529 CG2 THR A 98 2.391 -4.286 -24.107 1.00 0.00 C ATOM 0 H THR A 98 4.506 -3.129 -25.095 1.00 0.00 H new ATOM 0 HA THR A 98 5.545 -5.718 -24.159 1.00 0.00 H new ATOM 0 HB THR A 98 3.981 -4.485 -22.688 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.319 -6.994 -23.806 1.00 0.00 H new ATOM 0 HG21 THR A 98 1.609 -4.221 -23.351 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.699 -3.282 -24.398 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.009 -4.815 -24.980 1.00 0.00 H new ATOM 1537 N THR A 99 4.101 -5.210 -26.954 1.00 0.00 N ATOM 1538 CA THR A 99 3.580 -5.822 -28.168 1.00 0.00 C ATOM 1539 C THR A 99 4.244 -5.224 -29.408 1.00 0.00 C ATOM 1540 O THR A 99 4.057 -4.045 -29.707 1.00 0.00 O ATOM 1541 CB THR A 99 2.050 -5.634 -28.264 1.00 0.00 C ATOM 1542 OG1 THR A 99 1.422 -6.111 -27.067 1.00 0.00 O ATOM 1543 CG2 THR A 99 1.479 -6.374 -29.464 1.00 0.00 C ATOM 0 H THR A 99 4.356 -4.227 -27.050 1.00 0.00 H new ATOM 0 HA THR A 99 3.806 -6.887 -28.123 1.00 0.00 H new ATOM 0 HB THR A 99 1.850 -4.570 -28.386 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.452 -5.987 -27.135 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.400 -6.223 -29.505 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.934 -5.991 -30.378 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.693 -7.439 -29.370 1.00 0.00 H new TER 1551 THR A 99