USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 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 38 GLN : amide:sc= 0.0048 K(o=-1.6,f=-6.3!) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.6) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.0295 USER MOD Set 2.2: A 62 SER OG : rot 13:sc= 0.0291 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.117 X(o=-1.7,f=-1.6) USER MOD Set 3.2: A 13 ASN : amide:sc= -1.58 K(o=-1.7,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.993 (180deg=0.547) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0.334 (180deg=0.321) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 54:sc= 0.86 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.376 K(o=0.38,f=-3.7!) USER MOD Single : A 15 MET CE :methyl 172:sc= -1.7 (180deg=-1.8!) USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= 1.51 (180deg=-1.45!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.61 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -112:sc= 0 (180deg=-1.38) USER MOD Single : A 27 THR OG1 : rot 53:sc= 0.451 USER MOD Single : A 28 SER OG : rot 45:sc= 0.212 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= 0.0999 (180deg=-0.658) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0131 (180deg=-0.181) USER MOD Single : A 52 LYS NZ :NH3+ 140:sc= -0.459 (180deg=-3.34!) USER MOD Single : A 53 SER OG : rot 35:sc= 0.588 USER MOD Single : A 56 HIS : no HD1:sc= -0.17 K(o=0.16,f=-8.3!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.05) USER MOD Single : A 67 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.12) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.92! K(o=-1.9!,f=-0.48) USER MOD Single : A 88 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.48) USER MOD Single : A 89 HIS : no HE2:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.844 0.479 -4.239 1.00 0.00 N ATOM 2 CA MET A 1 11.861 0.674 -3.139 1.00 0.00 C ATOM 3 C MET A 1 11.403 -0.694 -2.613 1.00 0.00 C ATOM 4 O MET A 1 10.911 -1.517 -3.385 1.00 0.00 O ATOM 5 CB MET A 1 10.652 1.533 -3.612 1.00 0.00 C ATOM 6 CG MET A 1 11.017 2.973 -4.010 1.00 0.00 C ATOM 7 SD MET A 1 12.154 3.045 -5.418 1.00 0.00 S ATOM 8 CE MET A 1 12.582 4.785 -5.465 1.00 0.00 C ATOM 0 H1 MET A 1 12.665 1.174 -4.992 1.00 0.00 H new ATOM 0 H2 MET A 1 13.808 0.608 -3.870 1.00 0.00 H new ATOM 0 H3 MET A 1 12.747 -0.482 -4.625 1.00 0.00 H new ATOM 0 HA MET A 1 12.341 1.219 -2.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.183 1.041 -4.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.910 1.566 -2.814 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.106 3.519 -4.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.470 3.477 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.276 4.967 -6.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.680 5.378 -5.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.051 5.070 -4.523 1.00 0.00 H new ATOM 20 N LYS A 2 11.578 -0.935 -1.296 1.00 0.00 N ATOM 21 CA LYS A 2 11.269 -2.231 -0.657 1.00 0.00 C ATOM 22 C LYS A 2 10.739 -2.013 0.769 1.00 0.00 C ATOM 23 O LYS A 2 11.183 -1.093 1.462 1.00 0.00 O ATOM 24 CB LYS A 2 12.541 -3.135 -0.650 1.00 0.00 C ATOM 25 CG LYS A 2 12.370 -4.551 -0.028 1.00 0.00 C ATOM 26 CD LYS A 2 11.223 -5.371 -0.674 1.00 0.00 C ATOM 27 CE LYS A 2 11.424 -5.611 -2.183 1.00 0.00 C ATOM 28 NZ LYS A 2 12.542 -6.542 -2.477 1.00 0.00 N ATOM 0 H LYS A 2 11.938 -0.236 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 2 10.490 -2.735 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.885 -3.251 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.329 -2.614 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.305 -5.102 -0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.178 -4.450 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.142 -6.333 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.279 -4.849 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.503 -6.011 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.613 -4.657 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.652 -6.639 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.422 -6.167 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.337 -7.473 -2.062 1.00 0.00 H new ATOM 42 N ILE A 3 9.783 -2.867 1.189 1.00 0.00 N ATOM 43 CA ILE A 3 9.175 -2.807 2.526 1.00 0.00 C ATOM 44 C ILE A 3 10.182 -3.326 3.582 1.00 0.00 C ATOM 45 O ILE A 3 10.314 -4.537 3.793 1.00 0.00 O ATOM 46 CB ILE A 3 7.834 -3.640 2.599 1.00 0.00 C ATOM 47 CG1 ILE A 3 6.909 -3.351 1.362 1.00 0.00 C ATOM 48 CG2 ILE A 3 7.088 -3.356 3.927 1.00 0.00 C ATOM 49 CD1 ILE A 3 5.628 -4.174 1.310 1.00 0.00 C ATOM 0 H ILE A 3 9.413 -3.618 0.606 1.00 0.00 H new ATOM 0 HA ILE A 3 8.927 -1.766 2.735 1.00 0.00 H new ATOM 0 HB ILE A 3 8.096 -4.698 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.644 -2.294 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.478 -3.535 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.167 -3.939 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.723 -3.635 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.848 -2.295 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.057 -3.903 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.878 -5.234 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.031 -3.974 2.200 1.00 0.00 H new ATOM 61 N ILE A 4 10.914 -2.393 4.199 1.00 0.00 N ATOM 62 CA ILE A 4 11.929 -2.696 5.229 1.00 0.00 C ATOM 63 C ILE A 4 11.256 -2.852 6.608 1.00 0.00 C ATOM 64 O ILE A 4 11.668 -3.696 7.418 1.00 0.00 O ATOM 65 CB ILE A 4 13.035 -1.568 5.276 1.00 0.00 C ATOM 66 CG1 ILE A 4 13.667 -1.343 3.860 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.129 -1.864 6.334 1.00 0.00 C ATOM 68 CD1 ILE A 4 14.366 -2.557 3.249 1.00 0.00 C ATOM 0 H ILE A 4 10.823 -1.397 4.000 1.00 0.00 H new ATOM 0 HA ILE A 4 12.416 -3.636 4.968 1.00 0.00 H new ATOM 0 HB ILE A 4 12.539 -0.646 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.881 -1.018 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.387 -0.528 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.866 -1.061 6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.672 -1.931 7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.619 -2.808 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 4 14.767 -2.292 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.180 -2.874 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 4 13.650 -3.372 3.139 1.00 0.00 H new ATOM 80 N SER A 5 10.204 -2.052 6.859 1.00 0.00 N ATOM 81 CA SER A 5 9.433 -2.114 8.118 1.00 0.00 C ATOM 82 C SER A 5 7.921 -2.096 7.843 1.00 0.00 C ATOM 83 O SER A 5 7.460 -1.464 6.881 1.00 0.00 O ATOM 84 CB SER A 5 9.822 -0.940 9.046 1.00 0.00 C ATOM 85 OG SER A 5 9.072 -0.937 10.257 1.00 0.00 O ATOM 0 H SER A 5 9.865 -1.349 6.202 1.00 0.00 H new ATOM 0 HA SER A 5 9.676 -3.053 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.885 -1.001 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.665 0.002 8.521 1.00 0.00 H new ATOM 0 HG SER A 5 9.352 -0.180 10.813 1.00 0.00 H new ATOM 91 N ILE A 6 7.182 -2.814 8.719 1.00 0.00 N ATOM 92 CA ILE A 6 5.706 -2.882 8.752 1.00 0.00 C ATOM 93 C ILE A 6 5.240 -2.580 10.193 1.00 0.00 C ATOM 94 O ILE A 6 5.789 -3.146 11.151 1.00 0.00 O ATOM 95 CB ILE A 6 5.191 -4.319 8.331 1.00 0.00 C ATOM 96 CG1 ILE A 6 5.608 -4.659 6.868 1.00 0.00 C ATOM 97 CG2 ILE A 6 3.658 -4.465 8.516 1.00 0.00 C ATOM 98 CD1 ILE A 6 5.190 -6.036 6.385 1.00 0.00 C ATOM 0 H ILE A 6 7.614 -3.382 9.448 1.00 0.00 H new ATOM 0 HA ILE A 6 5.300 -2.155 8.048 1.00 0.00 H new ATOM 0 HB ILE A 6 5.668 -5.037 8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.179 -3.911 6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.692 -4.575 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.349 -5.466 8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.401 -4.305 9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.145 -3.726 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.525 -6.178 5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.640 -6.797 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.104 -6.122 6.428 1.00 0.00 H new ATOM 110 N SER A 7 4.217 -1.712 10.354 1.00 0.00 N ATOM 111 CA SER A 7 3.692 -1.331 11.683 1.00 0.00 C ATOM 112 C SER A 7 2.421 -2.138 12.037 1.00 0.00 C ATOM 113 O SER A 7 1.378 -1.573 12.372 1.00 0.00 O ATOM 114 CB SER A 7 3.430 0.198 11.737 1.00 0.00 C ATOM 115 OG SER A 7 2.430 0.589 10.809 1.00 0.00 O ATOM 0 H SER A 7 3.737 -1.260 9.576 1.00 0.00 H new ATOM 0 HA SER A 7 4.444 -1.574 12.434 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.123 0.480 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.355 0.734 11.524 1.00 0.00 H new ATOM 0 HG SER A 7 1.624 0.050 10.950 1.00 0.00 H new ATOM 121 N GLU A 8 2.522 -3.476 11.963 1.00 0.00 N ATOM 122 CA GLU A 8 1.436 -4.394 12.381 1.00 0.00 C ATOM 123 C GLU A 8 1.710 -5.040 13.741 1.00 0.00 C ATOM 124 O GLU A 8 0.806 -5.586 14.374 1.00 0.00 O ATOM 125 CB GLU A 8 1.224 -5.470 11.294 1.00 0.00 C ATOM 126 CG GLU A 8 0.366 -5.013 10.100 1.00 0.00 C ATOM 127 CD GLU A 8 -1.104 -4.704 10.464 1.00 0.00 C ATOM 128 OE1 GLU A 8 -1.827 -5.642 10.880 1.00 0.00 O ATOM 129 OE2 GLU A 8 -1.560 -3.553 10.280 1.00 0.00 O ATOM 0 H GLU A 8 3.352 -3.955 11.614 1.00 0.00 H new ATOM 0 HA GLU A 8 0.525 -3.806 12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.198 -5.790 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.754 -6.341 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.816 -4.122 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.385 -5.789 9.334 1.00 0.00 H new ATOM 136 N THR A 9 2.958 -4.986 14.151 1.00 0.00 N ATOM 137 CA THR A 9 3.405 -5.455 15.473 1.00 0.00 C ATOM 138 C THR A 9 3.308 -4.296 16.511 1.00 0.00 C ATOM 139 O THR A 9 2.664 -4.484 17.551 1.00 0.00 O ATOM 140 CB THR A 9 4.852 -6.069 15.436 1.00 0.00 C ATOM 141 OG1 THR A 9 4.941 -7.016 14.358 1.00 0.00 O ATOM 142 CG2 THR A 9 5.209 -6.774 16.762 1.00 0.00 C ATOM 0 H THR A 9 3.714 -4.612 13.577 1.00 0.00 H new ATOM 0 HA THR A 9 2.739 -6.261 15.780 1.00 0.00 H new ATOM 0 HB THR A 9 5.558 -5.252 15.287 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.843 -7.399 14.332 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.216 -7.185 16.696 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.163 -6.055 17.580 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.500 -7.581 16.948 1.00 0.00 H new ATOM 150 N PRO A 10 3.916 -3.066 16.260 1.00 0.00 N ATOM 151 CA PRO A 10 3.820 -1.936 17.219 1.00 0.00 C ATOM 152 C PRO A 10 2.508 -1.121 17.077 1.00 0.00 C ATOM 153 O PRO A 10 2.188 -0.284 17.933 1.00 0.00 O ATOM 154 CB PRO A 10 5.063 -1.093 16.863 1.00 0.00 C ATOM 155 CG PRO A 10 5.217 -1.261 15.386 1.00 0.00 C ATOM 156 CD PRO A 10 4.762 -2.677 15.079 1.00 0.00 C ATOM 0 HA PRO A 10 3.794 -2.269 18.257 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.923 -0.046 17.131 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.947 -1.443 17.397 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.615 -0.531 14.845 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.252 -1.109 15.081 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.191 -2.718 14.151 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.611 -3.350 14.961 1.00 0.00 H new ATOM 164 N ASN A 11 1.760 -1.389 15.996 1.00 0.00 N ATOM 165 CA ASN A 11 0.480 -0.721 15.683 1.00 0.00 C ATOM 166 C ASN A 11 -0.425 -1.782 15.000 1.00 0.00 C ATOM 167 O ASN A 11 -0.157 -2.979 15.144 1.00 0.00 O ATOM 168 CB ASN A 11 0.753 0.535 14.785 1.00 0.00 C ATOM 169 CG ASN A 11 -0.324 1.636 14.862 1.00 0.00 C ATOM 170 OD1 ASN A 11 -1.501 1.375 15.123 1.00 0.00 O ATOM 171 ND2 ASN A 11 0.076 2.882 14.633 1.00 0.00 N ATOM 0 H ASN A 11 2.028 -2.086 15.302 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.029 -0.349 16.573 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.713 0.966 15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.845 0.209 13.749 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.596 3.648 14.671 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.055 3.072 14.419 1.00 0.00 H new ATOM 178 N HIS A 12 -1.486 -1.367 14.289 1.00 0.00 N ATOM 179 CA HIS A 12 -2.437 -2.294 13.628 1.00 0.00 C ATOM 180 C HIS A 12 -3.347 -1.509 12.673 1.00 0.00 C ATOM 181 O HIS A 12 -3.620 -0.320 12.898 1.00 0.00 O ATOM 182 CB HIS A 12 -3.275 -3.058 14.697 1.00 0.00 C ATOM 183 CG HIS A 12 -4.240 -4.093 14.169 1.00 0.00 C ATOM 184 ND1 HIS A 12 -5.527 -4.221 14.640 1.00 0.00 N ATOM 185 CD2 HIS A 12 -4.088 -5.072 13.246 1.00 0.00 C ATOM 186 CE1 HIS A 12 -6.122 -5.225 14.036 1.00 0.00 C ATOM 187 NE2 HIS A 12 -5.274 -5.759 13.184 1.00 0.00 N ATOM 0 H HIS A 12 -1.714 -0.382 14.153 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.880 -3.030 13.048 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.587 -3.550 15.385 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.839 -2.328 15.277 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.199 -5.274 12.667 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.135 -5.556 14.210 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.467 -6.555 12.576 1.00 0.00 H new ATOM 196 N ASN A 13 -3.765 -2.189 11.585 1.00 0.00 N ATOM 197 CA ASN A 13 -4.708 -1.659 10.575 1.00 0.00 C ATOM 198 C ASN A 13 -4.080 -0.541 9.738 1.00 0.00 C ATOM 199 O ASN A 13 -4.791 0.229 9.083 1.00 0.00 O ATOM 200 CB ASN A 13 -6.063 -1.244 11.217 1.00 0.00 C ATOM 201 CG ASN A 13 -6.801 -2.435 11.829 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.715 -3.556 11.327 1.00 0.00 O ATOM 203 ND2 ASN A 13 -7.504 -2.217 12.928 1.00 0.00 N ATOM 0 H ASN A 13 -3.452 -3.138 11.379 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.931 -2.468 9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.883 -0.495 11.988 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.694 -0.778 10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.993 -2.988 13.382 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.557 -1.277 13.321 1.00 0.00 H new ATOM 210 N THR A 14 -2.736 -0.511 9.733 1.00 0.00 N ATOM 211 CA THR A 14 -1.940 0.409 8.923 1.00 0.00 C ATOM 212 C THR A 14 -0.509 -0.144 8.805 1.00 0.00 C ATOM 213 O THR A 14 0.009 -0.755 9.754 1.00 0.00 O ATOM 214 CB THR A 14 -1.925 1.868 9.512 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.252 2.767 8.606 1.00 0.00 O ATOM 216 CG2 THR A 14 -1.261 1.941 10.909 1.00 0.00 C ATOM 0 H THR A 14 -2.169 -1.138 10.303 1.00 0.00 H new ATOM 0 HA THR A 14 -2.397 0.480 7.936 1.00 0.00 H new ATOM 0 HB THR A 14 -2.966 2.170 9.630 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.251 3.671 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.278 2.970 11.267 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.808 1.305 11.605 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.229 1.599 10.839 1.00 0.00 H new ATOM 224 N MET A 15 0.118 0.030 7.632 1.00 0.00 N ATOM 225 CA MET A 15 1.524 -0.332 7.420 1.00 0.00 C ATOM 226 C MET A 15 2.332 0.919 7.127 1.00 0.00 C ATOM 227 O MET A 15 2.189 1.524 6.065 1.00 0.00 O ATOM 228 CB MET A 15 1.710 -1.348 6.260 1.00 0.00 C ATOM 229 CG MET A 15 1.088 -2.715 6.515 1.00 0.00 C ATOM 230 SD MET A 15 1.538 -3.948 5.262 1.00 0.00 S ATOM 231 CE MET A 15 1.052 -3.151 3.729 1.00 0.00 C ATOM 0 H MET A 15 -0.335 0.424 6.808 1.00 0.00 H new ATOM 0 HA MET A 15 1.876 -0.811 8.334 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.276 -0.928 5.353 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.776 -1.477 6.073 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.401 -3.072 7.496 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.003 -2.614 6.543 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.405 -3.742 2.884 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.034 -3.072 3.688 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.490 -2.154 3.682 1.00 0.00 H new ATOM 241 N LYS A 16 3.184 1.278 8.079 1.00 0.00 N ATOM 242 CA LYS A 16 4.262 2.250 7.897 1.00 0.00 C ATOM 243 C LYS A 16 5.346 1.512 7.106 1.00 0.00 C ATOM 244 O LYS A 16 6.232 0.861 7.677 1.00 0.00 O ATOM 245 CB LYS A 16 4.743 2.768 9.308 1.00 0.00 C ATOM 246 CG LYS A 16 6.211 3.280 9.458 1.00 0.00 C ATOM 247 CD LYS A 16 6.530 4.601 8.723 1.00 0.00 C ATOM 248 CE LYS A 16 7.996 5.059 8.953 1.00 0.00 C ATOM 249 NZ LYS A 16 8.336 6.337 8.260 1.00 0.00 N ATOM 0 H LYS A 16 3.146 0.894 9.023 1.00 0.00 H new ATOM 0 HA LYS A 16 3.961 3.143 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.078 3.578 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.601 1.958 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.425 3.413 10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.887 2.507 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.354 4.472 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.849 5.380 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.168 5.178 10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.671 4.276 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.159 6.188 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.525 6.648 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.562 7.066 8.967 1.00 0.00 H new ATOM 263 N ILE A 17 5.193 1.533 5.763 1.00 0.00 N ATOM 264 CA ILE A 17 6.134 0.880 4.858 1.00 0.00 C ATOM 265 C ILE A 17 7.358 1.774 4.761 1.00 0.00 C ATOM 266 O ILE A 17 7.388 2.740 3.986 1.00 0.00 O ATOM 267 CB ILE A 17 5.501 0.603 3.432 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.348 -0.450 3.541 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.564 0.167 2.390 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.649 -0.763 2.224 1.00 0.00 C ATOM 0 H ILE A 17 4.419 2.001 5.291 1.00 0.00 H new ATOM 0 HA ILE A 17 6.405 -0.100 5.249 1.00 0.00 H new ATOM 0 HB ILE A 17 5.081 1.543 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.755 -1.375 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.607 -0.086 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.080 -0.011 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.310 0.954 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.049 -0.749 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.865 -1.501 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.207 0.148 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.373 -1.160 1.513 1.00 0.00 H new ATOM 282 N THR A 18 8.334 1.473 5.621 1.00 0.00 N ATOM 283 CA THR A 18 9.608 2.179 5.625 1.00 0.00 C ATOM 284 C THR A 18 10.433 1.630 4.471 1.00 0.00 C ATOM 285 O THR A 18 10.704 0.434 4.431 1.00 0.00 O ATOM 286 CB THR A 18 10.373 1.988 6.971 1.00 0.00 C ATOM 287 OG1 THR A 18 9.520 2.353 8.067 1.00 0.00 O ATOM 288 CG2 THR A 18 11.668 2.817 7.034 1.00 0.00 C ATOM 0 H THR A 18 8.261 0.740 6.326 1.00 0.00 H new ATOM 0 HA THR A 18 9.433 3.249 5.513 1.00 0.00 H new ATOM 0 HB THR A 18 10.652 0.936 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.002 2.231 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.162 2.648 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.333 2.516 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.428 3.875 6.932 1.00 0.00 H new ATOM 296 N LEU A 19 10.750 2.485 3.507 1.00 0.00 N ATOM 297 CA LEU A 19 11.615 2.129 2.374 1.00 0.00 C ATOM 298 C LEU A 19 13.090 2.312 2.802 1.00 0.00 C ATOM 299 O LEU A 19 13.416 2.176 3.992 1.00 0.00 O ATOM 300 CB LEU A 19 11.205 3.018 1.160 1.00 0.00 C ATOM 301 CG LEU A 19 9.703 2.898 0.715 1.00 0.00 C ATOM 302 CD1 LEU A 19 9.355 3.913 -0.397 1.00 0.00 C ATOM 303 CD2 LEU A 19 9.353 1.451 0.278 1.00 0.00 C ATOM 0 H LEU A 19 10.417 3.449 3.483 1.00 0.00 H new ATOM 0 HA LEU A 19 11.501 1.088 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.411 4.059 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.839 2.761 0.312 1.00 0.00 H new ATOM 0 HG LEU A 19 9.091 3.139 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.308 3.800 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.525 4.926 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.986 3.731 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.306 1.405 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.985 1.161 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.521 0.769 1.111 1.00 0.00 H new ATOM 315 N SER A 20 13.983 2.635 1.854 1.00 0.00 N ATOM 316 CA SER A 20 15.394 2.969 2.160 1.00 0.00 C ATOM 317 C SER A 20 15.544 4.408 2.738 1.00 0.00 C ATOM 318 O SER A 20 16.665 4.936 2.795 1.00 0.00 O ATOM 319 CB SER A 20 16.235 2.794 0.876 1.00 0.00 C ATOM 320 OG SER A 20 15.686 3.532 -0.205 1.00 0.00 O ATOM 0 H SER A 20 13.756 2.674 0.860 1.00 0.00 H new ATOM 0 HA SER A 20 15.755 2.291 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.258 3.123 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.282 1.738 0.611 1.00 0.00 H new ATOM 0 HG SER A 20 16.240 3.404 -1.003 1.00 0.00 H new ATOM 326 N GLU A 21 14.403 5.003 3.171 1.00 0.00 N ATOM 327 CA GLU A 21 14.292 6.366 3.705 1.00 0.00 C ATOM 328 C GLU A 21 14.559 7.405 2.607 1.00 0.00 C ATOM 329 O GLU A 21 15.714 7.749 2.319 1.00 0.00 O ATOM 330 CB GLU A 21 15.190 6.598 4.952 1.00 0.00 C ATOM 331 CG GLU A 21 14.849 5.711 6.162 1.00 0.00 C ATOM 332 CD GLU A 21 15.793 5.950 7.349 1.00 0.00 C ATOM 333 OE1 GLU A 21 15.581 6.919 8.104 1.00 0.00 O ATOM 334 OE2 GLU A 21 16.771 5.188 7.510 1.00 0.00 O ATOM 0 H GLU A 21 13.505 4.519 3.153 1.00 0.00 H new ATOM 0 HA GLU A 21 13.265 6.493 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.229 6.424 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.111 7.643 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.823 5.905 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.900 4.663 5.866 1.00 0.00 H new ATOM 341 N SER A 22 13.473 7.846 1.951 1.00 0.00 N ATOM 342 CA SER A 22 13.516 8.959 0.999 1.00 0.00 C ATOM 343 C SER A 22 13.685 10.271 1.780 1.00 0.00 C ATOM 344 O SER A 22 12.971 10.501 2.766 1.00 0.00 O ATOM 345 CB SER A 22 12.230 9.003 0.145 1.00 0.00 C ATOM 346 OG SER A 22 12.260 10.058 -0.804 1.00 0.00 O ATOM 0 H SER A 22 12.545 7.440 2.068 1.00 0.00 H new ATOM 0 HA SER A 22 14.358 8.821 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.106 8.052 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.365 9.126 0.797 1.00 0.00 H new ATOM 0 HG SER A 22 11.431 10.052 -1.326 1.00 0.00 H new ATOM 352 N ARG A 23 14.635 11.112 1.339 1.00 0.00 N ATOM 353 CA ARG A 23 14.920 12.404 1.980 1.00 0.00 C ATOM 354 C ARG A 23 13.827 13.421 1.600 1.00 0.00 C ATOM 355 O ARG A 23 13.999 14.195 0.653 1.00 0.00 O ATOM 356 CB ARG A 23 16.332 12.924 1.567 1.00 0.00 C ATOM 357 CG ARG A 23 17.485 11.935 1.849 1.00 0.00 C ATOM 358 CD ARG A 23 18.875 12.545 1.574 1.00 0.00 C ATOM 359 NE ARG A 23 19.163 13.679 2.476 1.00 0.00 N ATOM 360 CZ ARG A 23 19.783 13.592 3.667 1.00 0.00 C ATOM 361 NH1 ARG A 23 20.208 12.422 4.136 1.00 0.00 N ATOM 362 NH2 ARG A 23 19.958 14.682 4.398 1.00 0.00 N ATOM 0 H ARG A 23 15.225 10.915 0.530 1.00 0.00 H new ATOM 0 HA ARG A 23 14.918 12.273 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 23 16.322 13.158 0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 23 16.532 13.856 2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 23 17.434 11.611 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.355 11.046 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 23 19.640 11.778 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 23 18.926 12.882 0.539 1.00 0.00 H new ATOM 0 HE ARG A 23 18.867 14.606 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 23 20.066 11.572 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.676 12.375 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.623 15.583 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.428 14.620 5.301 1.00 0.00 H new ATOM 376 N GLU A 24 12.659 13.314 2.281 1.00 0.00 N ATOM 377 CA GLU A 24 11.505 14.246 2.130 1.00 0.00 C ATOM 378 C GLU A 24 10.925 14.225 0.677 1.00 0.00 C ATOM 379 O GLU A 24 10.090 15.063 0.304 1.00 0.00 O ATOM 380 CB GLU A 24 11.948 15.677 2.587 1.00 0.00 C ATOM 381 CG GLU A 24 10.826 16.730 2.742 1.00 0.00 C ATOM 382 CD GLU A 24 11.365 18.093 3.210 1.00 0.00 C ATOM 383 OE1 GLU A 24 12.031 18.784 2.411 1.00 0.00 O ATOM 384 OE2 GLU A 24 11.168 18.463 4.392 1.00 0.00 O ATOM 0 H GLU A 24 12.486 12.571 2.959 1.00 0.00 H new ATOM 0 HA GLU A 24 10.686 13.917 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.464 15.585 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.674 16.055 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.312 16.853 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.088 16.368 3.458 1.00 0.00 H new ATOM 391 N GLY A 25 11.338 13.211 -0.116 1.00 0.00 N ATOM 392 CA GLY A 25 10.998 13.122 -1.540 1.00 0.00 C ATOM 393 C GLY A 25 9.570 12.648 -1.787 1.00 0.00 C ATOM 394 O GLY A 25 8.974 12.959 -2.826 1.00 0.00 O ATOM 0 H GLY A 25 11.914 12.438 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.134 14.100 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.691 12.439 -2.031 1.00 0.00 H new ATOM 398 N MET A 26 9.026 11.879 -0.832 1.00 0.00 N ATOM 399 CA MET A 26 7.649 11.374 -0.900 1.00 0.00 C ATOM 400 C MET A 26 6.685 12.490 -0.453 1.00 0.00 C ATOM 401 O MET A 26 6.650 12.836 0.726 1.00 0.00 O ATOM 402 CB MET A 26 7.490 10.115 -0.004 1.00 0.00 C ATOM 403 CG MET A 26 8.477 8.982 -0.322 1.00 0.00 C ATOM 404 SD MET A 26 8.383 8.416 -2.036 1.00 0.00 S ATOM 405 CE MET A 26 9.717 7.217 -2.106 1.00 0.00 C ATOM 0 H MET A 26 9.528 11.591 0.008 1.00 0.00 H new ATOM 0 HA MET A 26 7.414 11.085 -1.924 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.615 10.408 1.039 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.474 9.735 -0.109 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.491 9.323 -0.114 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.281 8.141 0.343 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.511 7.594 -2.751 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.111 7.052 -1.103 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.340 6.276 -2.507 1.00 0.00 H new ATOM 415 N THR A 27 5.948 13.083 -1.402 1.00 0.00 N ATOM 416 CA THR A 27 4.963 14.139 -1.099 1.00 0.00 C ATOM 417 C THR A 27 3.687 13.538 -0.462 1.00 0.00 C ATOM 418 O THR A 27 3.389 12.350 -0.662 1.00 0.00 O ATOM 419 CB THR A 27 4.604 14.960 -2.388 1.00 0.00 C ATOM 420 OG1 THR A 27 4.215 14.075 -3.451 1.00 0.00 O ATOM 421 CG2 THR A 27 5.785 15.834 -2.861 1.00 0.00 C ATOM 0 H THR A 27 6.014 12.850 -2.393 1.00 0.00 H new ATOM 0 HA THR A 27 5.415 14.820 -0.378 1.00 0.00 H new ATOM 0 HB THR A 27 3.774 15.617 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.504 13.479 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.494 16.385 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.056 16.537 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.640 15.198 -3.089 1.00 0.00 H new ATOM 429 N SER A 28 2.962 14.361 0.327 1.00 0.00 N ATOM 430 CA SER A 28 1.719 13.941 0.996 1.00 0.00 C ATOM 431 C SER A 28 0.588 13.725 -0.033 1.00 0.00 C ATOM 432 O SER A 28 -0.059 14.678 -0.485 1.00 0.00 O ATOM 433 CB SER A 28 1.313 14.962 2.100 1.00 0.00 C ATOM 434 OG SER A 28 1.196 16.285 1.590 1.00 0.00 O ATOM 0 H SER A 28 3.223 15.329 0.515 1.00 0.00 H new ATOM 0 HA SER A 28 1.897 12.985 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.364 14.659 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.055 14.946 2.898 1.00 0.00 H new ATOM 0 HG SER A 28 0.702 16.267 0.744 1.00 0.00 H new ATOM 440 N ASP A 29 0.410 12.459 -0.442 1.00 0.00 N ATOM 441 CA ASP A 29 -0.620 12.037 -1.397 1.00 0.00 C ATOM 442 C ASP A 29 -1.560 11.028 -0.726 1.00 0.00 C ATOM 443 O ASP A 29 -1.143 9.905 -0.409 1.00 0.00 O ATOM 444 CB ASP A 29 0.023 11.396 -2.650 1.00 0.00 C ATOM 445 CG ASP A 29 1.046 12.291 -3.360 1.00 0.00 C ATOM 446 OD1 ASP A 29 0.660 13.352 -3.881 1.00 0.00 O ATOM 447 OD2 ASP A 29 2.235 11.918 -3.424 1.00 0.00 O ATOM 0 H ASP A 29 0.990 11.688 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.185 12.915 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.511 10.466 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.766 11.134 -3.356 1.00 0.00 H new ATOM 452 N THR A 30 -2.816 11.433 -0.485 1.00 0.00 N ATOM 453 CA THR A 30 -3.833 10.545 0.083 1.00 0.00 C ATOM 454 C THR A 30 -4.596 9.845 -1.058 1.00 0.00 C ATOM 455 O THR A 30 -5.509 10.423 -1.657 1.00 0.00 O ATOM 456 CB THR A 30 -4.824 11.329 1.004 1.00 0.00 C ATOM 457 OG1 THR A 30 -4.090 12.163 1.912 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.728 10.380 1.817 1.00 0.00 C ATOM 0 H THR A 30 -3.150 12.377 -0.677 1.00 0.00 H new ATOM 0 HA THR A 30 -3.335 9.797 0.700 1.00 0.00 H new ATOM 0 HB THR A 30 -5.458 11.936 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.716 12.653 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.401 10.966 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.313 9.762 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.110 9.741 2.448 1.00 0.00 H new ATOM 466 N TYR A 31 -4.181 8.615 -1.370 1.00 0.00 N ATOM 467 CA TYR A 31 -4.802 7.805 -2.420 1.00 0.00 C ATOM 468 C TYR A 31 -6.059 7.126 -1.846 1.00 0.00 C ATOM 469 O TYR A 31 -5.967 6.167 -1.075 1.00 0.00 O ATOM 470 CB TYR A 31 -3.803 6.739 -2.951 1.00 0.00 C ATOM 471 CG TYR A 31 -2.452 7.298 -3.427 1.00 0.00 C ATOM 472 CD1 TYR A 31 -2.380 8.385 -4.301 1.00 0.00 C ATOM 473 CD2 TYR A 31 -1.247 6.718 -3.014 1.00 0.00 C ATOM 474 CE1 TYR A 31 -1.162 8.869 -4.741 1.00 0.00 C ATOM 475 CE2 TYR A 31 -0.032 7.202 -3.451 1.00 0.00 C ATOM 476 CZ TYR A 31 0.009 8.273 -4.313 1.00 0.00 C ATOM 477 OH TYR A 31 1.225 8.754 -4.746 1.00 0.00 O ATOM 0 H TYR A 31 -3.403 8.152 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.082 8.446 -3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.620 6.009 -2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.270 6.204 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.291 8.856 -4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.269 5.875 -2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.126 9.710 -5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.886 6.741 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 31 1.947 8.223 -4.350 1.00 0.00 H new ATOM 487 N THR A 32 -7.223 7.670 -2.215 1.00 0.00 N ATOM 488 CA THR A 32 -8.549 7.198 -1.774 1.00 0.00 C ATOM 489 C THR A 32 -9.173 6.314 -2.883 1.00 0.00 C ATOM 490 O THR A 32 -10.334 6.490 -3.281 1.00 0.00 O ATOM 491 CB THR A 32 -9.474 8.418 -1.405 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.626 9.289 -2.533 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.912 9.232 -0.223 1.00 0.00 C ATOM 0 H THR A 32 -7.276 8.471 -2.844 1.00 0.00 H new ATOM 0 HA THR A 32 -8.444 6.593 -0.873 1.00 0.00 H new ATOM 0 HB THR A 32 -10.440 8.005 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.204 10.042 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.582 10.063 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.830 8.590 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.927 9.619 -0.483 1.00 0.00 H new ATOM 501 N LYS A 33 -8.344 5.354 -3.337 1.00 0.00 N ATOM 502 CA LYS A 33 -8.628 4.335 -4.380 1.00 0.00 C ATOM 503 C LYS A 33 -9.064 4.941 -5.745 1.00 0.00 C ATOM 504 O LYS A 33 -10.209 5.338 -5.929 1.00 0.00 O ATOM 505 CB LYS A 33 -9.531 3.132 -3.864 1.00 0.00 C ATOM 506 CG LYS A 33 -10.979 3.434 -3.363 1.00 0.00 C ATOM 507 CD LYS A 33 -12.054 3.406 -4.483 1.00 0.00 C ATOM 508 CE LYS A 33 -13.384 4.046 -4.046 1.00 0.00 C ATOM 509 NZ LYS A 33 -13.191 5.459 -3.599 1.00 0.00 N ATOM 0 H LYS A 33 -7.399 5.259 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.667 3.869 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.608 2.407 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.996 2.644 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.247 2.705 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.991 4.415 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.674 3.931 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.234 2.374 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.092 4.019 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.820 3.463 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.282 5.511 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.245 5.786 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.912 6.064 -4.041 1.00 0.00 H new ATOM 523 N VAL A 34 -8.081 5.017 -6.686 1.00 0.00 N ATOM 524 CA VAL A 34 -8.253 5.514 -8.078 1.00 0.00 C ATOM 525 C VAL A 34 -8.964 6.894 -8.098 1.00 0.00 C ATOM 526 O VAL A 34 -10.185 6.984 -8.305 1.00 0.00 O ATOM 527 CB VAL A 34 -8.999 4.460 -8.993 1.00 0.00 C ATOM 528 CG1 VAL A 34 -9.010 4.895 -10.488 1.00 0.00 C ATOM 529 CG2 VAL A 34 -8.393 3.041 -8.818 1.00 0.00 C ATOM 0 H VAL A 34 -7.123 4.726 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.257 5.650 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.038 4.422 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.531 4.144 -11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.521 5.853 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.985 4.993 -10.846 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.925 2.337 -9.458 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.339 3.059 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.490 2.730 -7.778 1.00 0.00 H new ATOM 539 N ASP A 35 -8.198 7.966 -7.847 1.00 0.00 N ATOM 540 CA ASP A 35 -8.777 9.276 -7.497 1.00 0.00 C ATOM 541 C ASP A 35 -7.875 10.450 -7.918 1.00 0.00 C ATOM 542 O ASP A 35 -8.338 11.399 -8.561 1.00 0.00 O ATOM 543 CB ASP A 35 -9.057 9.323 -5.963 1.00 0.00 C ATOM 544 CG ASP A 35 -7.794 9.089 -5.098 1.00 0.00 C ATOM 545 OD1 ASP A 35 -7.230 7.974 -5.144 1.00 0.00 O ATOM 546 OD2 ASP A 35 -7.357 10.014 -4.376 1.00 0.00 O ATOM 0 H ASP A 35 -7.179 7.954 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.710 9.388 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.487 10.292 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.803 8.568 -5.714 1.00 0.00 H new ATOM 551 N ASP A 36 -6.587 10.382 -7.552 1.00 0.00 N ATOM 552 CA ASP A 36 -5.657 11.514 -7.690 1.00 0.00 C ATOM 553 C ASP A 36 -4.696 11.291 -8.874 1.00 0.00 C ATOM 554 O ASP A 36 -5.073 11.521 -10.030 1.00 0.00 O ATOM 555 CB ASP A 36 -4.909 11.728 -6.339 1.00 0.00 C ATOM 556 CG ASP A 36 -3.971 12.951 -6.327 1.00 0.00 C ATOM 557 OD1 ASP A 36 -4.461 14.091 -6.177 1.00 0.00 O ATOM 558 OD2 ASP A 36 -2.743 12.781 -6.487 1.00 0.00 O ATOM 0 H ASP A 36 -6.161 9.545 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.210 12.426 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.644 11.840 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.327 10.835 -6.113 1.00 0.00 H new ATOM 563 N SER A 37 -3.486 10.781 -8.588 1.00 0.00 N ATOM 564 CA SER A 37 -2.410 10.626 -9.563 1.00 0.00 C ATOM 565 C SER A 37 -1.407 9.622 -8.984 1.00 0.00 C ATOM 566 O SER A 37 -0.473 9.989 -8.257 1.00 0.00 O ATOM 567 CB SER A 37 -1.743 11.993 -9.861 1.00 0.00 C ATOM 568 OG SER A 37 -0.785 11.889 -10.903 1.00 0.00 O ATOM 0 H SER A 37 -3.231 10.461 -7.654 1.00 0.00 H new ATOM 0 HA SER A 37 -2.797 10.255 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.507 12.719 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.261 12.368 -8.958 1.00 0.00 H new ATOM 0 HG SER A 37 -0.384 12.768 -11.068 1.00 0.00 H new ATOM 574 N GLN A 38 -1.674 8.344 -9.253 1.00 0.00 N ATOM 575 CA GLN A 38 -0.851 7.221 -8.811 1.00 0.00 C ATOM 576 C GLN A 38 -0.764 6.196 -9.954 1.00 0.00 C ATOM 577 O GLN A 38 -1.741 6.045 -10.707 1.00 0.00 O ATOM 578 CB GLN A 38 -1.428 6.554 -7.516 1.00 0.00 C ATOM 579 CG GLN A 38 -2.888 6.039 -7.594 1.00 0.00 C ATOM 580 CD GLN A 38 -3.971 7.048 -7.173 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.819 8.260 -7.293 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.090 6.539 -6.713 1.00 0.00 N ATOM 0 H GLN A 38 -2.487 8.055 -9.797 1.00 0.00 H new ATOM 0 HA GLN A 38 0.144 7.589 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.785 5.716 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.364 7.277 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.089 5.723 -8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.977 5.154 -6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.191 5.528 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.858 7.154 -6.446 1.00 0.00 H new ATOM 591 N PRO A 39 0.408 5.505 -10.133 1.00 0.00 N ATOM 592 CA PRO A 39 0.550 4.405 -11.115 1.00 0.00 C ATOM 593 C PRO A 39 -0.527 3.321 -10.938 1.00 0.00 C ATOM 594 O PRO A 39 -1.017 3.102 -9.818 1.00 0.00 O ATOM 595 CB PRO A 39 1.965 3.839 -10.822 1.00 0.00 C ATOM 596 CG PRO A 39 2.714 4.992 -10.229 1.00 0.00 C ATOM 597 CD PRO A 39 1.690 5.778 -9.434 1.00 0.00 C ATOM 0 HA PRO A 39 0.427 4.752 -12.141 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.921 2.997 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.445 3.480 -11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.525 4.645 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.164 5.609 -11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.655 5.452 -8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.922 6.843 -9.426 1.00 0.00 H new ATOM 605 N ALA A 40 -0.884 2.652 -12.053 1.00 0.00 N ATOM 606 CA ALA A 40 -1.884 1.568 -12.069 1.00 0.00 C ATOM 607 C ALA A 40 -1.540 0.484 -11.035 1.00 0.00 C ATOM 608 O ALA A 40 -2.421 -0.055 -10.383 1.00 0.00 O ATOM 609 CB ALA A 40 -1.998 0.970 -13.475 1.00 0.00 C ATOM 0 H ALA A 40 -0.485 2.850 -12.970 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.851 1.990 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.740 0.171 -13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.304 1.746 -14.177 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.032 0.567 -13.778 1.00 0.00 H new ATOM 615 N PHE A 41 -0.235 0.264 -10.852 1.00 0.00 N ATOM 616 CA PHE A 41 0.319 -0.678 -9.869 1.00 0.00 C ATOM 617 C PHE A 41 -0.166 -0.350 -8.430 1.00 0.00 C ATOM 618 O PHE A 41 -0.636 -1.238 -7.709 1.00 0.00 O ATOM 619 CB PHE A 41 1.863 -0.643 -9.962 1.00 0.00 C ATOM 620 CG PHE A 41 2.397 -0.987 -11.357 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.528 -2.314 -11.762 1.00 0.00 C ATOM 622 CD2 PHE A 41 2.741 0.013 -12.270 1.00 0.00 C ATOM 623 CE1 PHE A 41 2.989 -2.635 -13.025 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.206 -0.309 -13.533 1.00 0.00 C ATOM 625 CZ PHE A 41 3.329 -1.633 -13.910 1.00 0.00 C ATOM 0 H PHE A 41 0.483 0.745 -11.394 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.036 -1.683 -10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.214 0.350 -9.681 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.279 -1.344 -9.239 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.265 -3.106 -11.077 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.643 1.050 -11.987 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.083 -3.670 -13.319 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.473 0.476 -14.225 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.691 -1.883 -14.896 1.00 0.00 H new ATOM 635 N ILE A 42 -0.092 0.945 -8.050 1.00 0.00 N ATOM 636 CA ILE A 42 -0.604 1.441 -6.746 1.00 0.00 C ATOM 637 C ILE A 42 -2.152 1.333 -6.699 1.00 0.00 C ATOM 638 O ILE A 42 -2.738 1.056 -5.642 1.00 0.00 O ATOM 639 CB ILE A 42 -0.145 2.931 -6.465 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.417 3.039 -6.441 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.759 3.500 -5.153 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.102 2.251 -5.323 1.00 0.00 C ATOM 0 H ILE A 42 0.321 1.674 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.180 0.813 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.523 3.541 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.805 2.693 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.692 4.089 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.415 4.523 -5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.847 3.490 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.446 2.886 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.181 2.388 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.749 2.610 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.864 1.192 -5.426 1.00 0.00 H new ATOM 654 N ASN A 43 -2.792 1.499 -7.874 1.00 0.00 N ATOM 655 CA ASN A 43 -4.257 1.455 -8.015 1.00 0.00 C ATOM 656 C ASN A 43 -4.779 0.023 -7.818 1.00 0.00 C ATOM 657 O ASN A 43 -5.877 -0.163 -7.305 1.00 0.00 O ATOM 658 CB ASN A 43 -4.688 2.035 -9.396 1.00 0.00 C ATOM 659 CG ASN A 43 -4.659 3.566 -9.434 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.247 4.218 -8.573 1.00 0.00 O ATOM 661 ND2 ASN A 43 -3.962 4.152 -10.397 1.00 0.00 N ATOM 0 H ASN A 43 -2.303 1.668 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.702 2.077 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.028 1.645 -10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.695 1.690 -9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.903 5.170 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.484 3.585 -11.098 1.00 0.00 H new ATOM 668 N ASP A 44 -3.971 -0.980 -8.210 1.00 0.00 N ATOM 669 CA ASP A 44 -4.288 -2.405 -7.995 1.00 0.00 C ATOM 670 C ASP A 44 -4.307 -2.752 -6.493 1.00 0.00 C ATOM 671 O ASP A 44 -5.164 -3.524 -6.059 1.00 0.00 O ATOM 672 CB ASP A 44 -3.292 -3.323 -8.772 1.00 0.00 C ATOM 673 CG ASP A 44 -3.693 -3.521 -10.248 1.00 0.00 C ATOM 674 OD1 ASP A 44 -3.509 -2.598 -11.064 1.00 0.00 O ATOM 675 OD2 ASP A 44 -4.239 -4.589 -10.598 1.00 0.00 O ATOM 0 H ASP A 44 -3.081 -0.826 -8.684 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.288 -2.587 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.293 -2.889 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.240 -4.294 -8.280 1.00 0.00 H new ATOM 680 N ILE A 45 -3.376 -2.156 -5.714 1.00 0.00 N ATOM 681 CA ILE A 45 -3.336 -2.311 -4.228 1.00 0.00 C ATOM 682 C ILE A 45 -4.629 -1.748 -3.606 1.00 0.00 C ATOM 683 O ILE A 45 -5.247 -2.357 -2.726 1.00 0.00 O ATOM 684 CB ILE A 45 -2.104 -1.559 -3.587 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.766 -2.002 -4.255 1.00 0.00 C ATOM 686 CG2 ILE A 45 -2.056 -1.762 -2.043 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.464 -1.220 -3.805 1.00 0.00 C ATOM 0 H ILE A 45 -2.636 -1.559 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.240 -3.377 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.234 -0.493 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.604 -3.059 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.866 -1.904 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.197 -1.232 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.970 -1.372 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.968 -2.825 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.345 -1.599 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.330 -0.164 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.597 -1.338 -2.729 1.00 0.00 H new ATOM 699 N LEU A 46 -5.003 -0.572 -4.107 1.00 0.00 N ATOM 700 CA LEU A 46 -6.239 0.138 -3.748 1.00 0.00 C ATOM 701 C LEU A 46 -7.499 -0.681 -4.120 1.00 0.00 C ATOM 702 O LEU A 46 -8.520 -0.618 -3.428 1.00 0.00 O ATOM 703 CB LEU A 46 -6.226 1.519 -4.448 1.00 0.00 C ATOM 704 CG LEU A 46 -5.159 2.536 -3.913 1.00 0.00 C ATOM 705 CD1 LEU A 46 -4.944 3.708 -4.897 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.544 3.053 -2.501 1.00 0.00 C ATOM 0 H LEU A 46 -4.442 -0.069 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.280 0.277 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.054 1.365 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.214 1.968 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.211 2.004 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.198 4.391 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.598 3.320 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.884 4.241 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.788 3.757 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.511 3.553 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.603 2.213 -1.810 1.00 0.00 H new ATOM 718 N LYS A 47 -7.411 -1.427 -5.240 1.00 0.00 N ATOM 719 CA LYS A 47 -8.501 -2.303 -5.728 1.00 0.00 C ATOM 720 C LYS A 47 -8.521 -3.675 -5.019 1.00 0.00 C ATOM 721 O LYS A 47 -9.460 -4.455 -5.233 1.00 0.00 O ATOM 722 CB LYS A 47 -8.403 -2.496 -7.265 1.00 0.00 C ATOM 723 CG LYS A 47 -8.720 -1.234 -8.096 1.00 0.00 C ATOM 724 CD LYS A 47 -8.574 -1.475 -9.617 1.00 0.00 C ATOM 725 CE LYS A 47 -8.992 -0.257 -10.449 1.00 0.00 C ATOM 726 NZ LYS A 47 -10.422 0.107 -10.233 1.00 0.00 N ATOM 0 H LYS A 47 -6.582 -1.440 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.438 -1.801 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.396 -2.833 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.087 -3.291 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.737 -0.906 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.053 -0.427 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.538 -1.727 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.181 -2.333 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.359 0.592 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.828 -0.467 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.722 0.783 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.010 -0.749 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.532 0.541 -9.294 1.00 0.00 H new ATOM 740 N VAL A 48 -7.486 -3.989 -4.206 1.00 0.00 N ATOM 741 CA VAL A 48 -7.514 -5.191 -3.349 1.00 0.00 C ATOM 742 C VAL A 48 -8.543 -4.943 -2.232 1.00 0.00 C ATOM 743 O VAL A 48 -8.295 -4.144 -1.321 1.00 0.00 O ATOM 744 CB VAL A 48 -6.109 -5.565 -2.727 1.00 0.00 C ATOM 745 CG1 VAL A 48 -6.209 -6.829 -1.834 1.00 0.00 C ATOM 746 CG2 VAL A 48 -5.034 -5.759 -3.824 1.00 0.00 C ATOM 0 H VAL A 48 -6.634 -3.434 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.789 -6.043 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.801 -4.727 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.227 -7.061 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.911 -6.645 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.559 -7.670 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.082 -6.015 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.339 -6.563 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.924 -4.836 -4.393 1.00 0.00 H new ATOM 756 N GLU A 49 -9.709 -5.602 -2.357 1.00 0.00 N ATOM 757 CA GLU A 49 -10.854 -5.411 -1.456 1.00 0.00 C ATOM 758 C GLU A 49 -10.506 -5.896 -0.030 1.00 0.00 C ATOM 759 O GLU A 49 -10.590 -7.091 0.282 1.00 0.00 O ATOM 760 CB GLU A 49 -12.093 -6.143 -2.033 1.00 0.00 C ATOM 761 CG GLU A 49 -12.510 -5.666 -3.440 1.00 0.00 C ATOM 762 CD GLU A 49 -13.667 -6.483 -4.034 1.00 0.00 C ATOM 763 OE1 GLU A 49 -13.407 -7.588 -4.558 1.00 0.00 O ATOM 764 OE2 GLU A 49 -14.837 -6.049 -3.946 1.00 0.00 O ATOM 0 H GLU A 49 -9.882 -6.287 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.092 -4.350 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.885 -7.212 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.932 -6.006 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.802 -4.617 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.650 -5.726 -4.107 1.00 0.00 H new ATOM 771 N GLY A 50 -10.060 -4.937 0.790 1.00 0.00 N ATOM 772 CA GLY A 50 -9.550 -5.189 2.137 1.00 0.00 C ATOM 773 C GLY A 50 -8.723 -4.001 2.606 1.00 0.00 C ATOM 774 O GLY A 50 -8.725 -3.651 3.793 1.00 0.00 O ATOM 0 H GLY A 50 -10.044 -3.951 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.379 -5.360 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.940 -6.093 2.142 1.00 0.00 H new ATOM 778 N VAL A 51 -7.999 -3.394 1.643 1.00 0.00 N ATOM 779 CA VAL A 51 -7.310 -2.107 1.825 1.00 0.00 C ATOM 780 C VAL A 51 -8.353 -0.971 1.804 1.00 0.00 C ATOM 781 O VAL A 51 -9.198 -0.924 0.897 1.00 0.00 O ATOM 782 CB VAL A 51 -6.236 -1.866 0.690 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.521 -0.497 0.846 1.00 0.00 C ATOM 784 CG2 VAL A 51 -5.214 -3.028 0.634 1.00 0.00 C ATOM 0 H VAL A 51 -7.877 -3.790 0.711 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.789 -2.123 2.782 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.771 -1.841 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.792 -0.374 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.257 0.306 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.012 -0.460 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.487 -2.836 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.698 -3.105 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.736 -3.962 0.427 1.00 0.00 H new ATOM 794 N LYS A 52 -8.308 -0.084 2.811 1.00 0.00 N ATOM 795 CA LYS A 52 -9.165 1.106 2.853 1.00 0.00 C ATOM 796 C LYS A 52 -8.584 2.184 1.919 1.00 0.00 C ATOM 797 O LYS A 52 -9.256 2.637 0.980 1.00 0.00 O ATOM 798 CB LYS A 52 -9.289 1.650 4.305 1.00 0.00 C ATOM 799 CG LYS A 52 -10.222 2.881 4.450 1.00 0.00 C ATOM 800 CD LYS A 52 -10.262 3.492 5.879 1.00 0.00 C ATOM 801 CE LYS A 52 -10.963 2.608 6.934 1.00 0.00 C ATOM 802 NZ LYS A 52 -10.228 1.351 7.249 1.00 0.00 N ATOM 0 H LYS A 52 -7.682 -0.172 3.611 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.165 0.835 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.658 0.852 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.296 1.917 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.900 3.650 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.233 2.591 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.241 3.686 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.770 4.455 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.089 3.184 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.961 2.355 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.279 1.166 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.659 0.558 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.233 1.450 6.964 1.00 0.00 H new ATOM 816 N SER A 53 -7.316 2.560 2.173 1.00 0.00 N ATOM 817 CA SER A 53 -6.633 3.635 1.425 1.00 0.00 C ATOM 818 C SER A 53 -5.108 3.573 1.639 1.00 0.00 C ATOM 819 O SER A 53 -4.603 2.701 2.358 1.00 0.00 O ATOM 820 CB SER A 53 -7.207 5.023 1.842 1.00 0.00 C ATOM 821 OG SER A 53 -7.256 5.178 3.257 1.00 0.00 O ATOM 0 H SER A 53 -6.739 2.131 2.897 1.00 0.00 H new ATOM 0 HA SER A 53 -6.818 3.492 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.592 5.813 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.209 5.139 1.430 1.00 0.00 H new ATOM 0 HG SER A 53 -6.489 4.723 3.663 1.00 0.00 H new ATOM 827 N ILE A 54 -4.381 4.493 0.974 1.00 0.00 N ATOM 828 CA ILE A 54 -2.915 4.627 1.085 1.00 0.00 C ATOM 829 C ILE A 54 -2.556 6.111 1.308 1.00 0.00 C ATOM 830 O ILE A 54 -2.833 6.946 0.454 1.00 0.00 O ATOM 831 CB ILE A 54 -2.182 4.101 -0.212 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.483 2.587 -0.462 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.656 4.354 -0.131 1.00 0.00 C ATOM 834 CD1 ILE A 54 -1.877 2.011 -1.732 1.00 0.00 C ATOM 0 H ILE A 54 -4.800 5.171 0.338 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.582 4.023 1.929 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.573 4.662 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.116 2.014 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.564 2.448 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.177 3.982 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.469 5.424 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.247 3.835 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.142 0.957 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.262 2.552 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.792 2.111 -1.695 1.00 0.00 H new ATOM 846 N PHE A 55 -1.944 6.430 2.454 1.00 0.00 N ATOM 847 CA PHE A 55 -1.440 7.779 2.759 1.00 0.00 C ATOM 848 C PHE A 55 0.096 7.807 2.600 1.00 0.00 C ATOM 849 O PHE A 55 0.846 7.390 3.484 1.00 0.00 O ATOM 850 CB PHE A 55 -1.874 8.211 4.182 1.00 0.00 C ATOM 851 CG PHE A 55 -1.472 9.645 4.547 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.973 10.726 3.826 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.596 9.908 5.600 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.612 12.023 4.142 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.239 11.206 5.917 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.747 12.263 5.187 1.00 0.00 C ATOM 0 H PHE A 55 -1.782 5.757 3.203 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.869 8.494 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.957 8.115 4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.437 7.526 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.654 10.549 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.192 9.088 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.008 12.848 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.438 11.394 6.737 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.466 13.276 5.435 1.00 0.00 H new ATOM 866 N HIS A 56 0.539 8.274 1.439 1.00 0.00 N ATOM 867 CA HIS A 56 1.960 8.377 1.065 1.00 0.00 C ATOM 868 C HIS A 56 2.530 9.731 1.537 1.00 0.00 C ATOM 869 O HIS A 56 1.894 10.747 1.300 1.00 0.00 O ATOM 870 CB HIS A 56 2.016 8.231 -0.481 1.00 0.00 C ATOM 871 CG HIS A 56 3.330 8.549 -1.140 1.00 0.00 C ATOM 872 ND1 HIS A 56 3.472 9.582 -2.039 1.00 0.00 N ATOM 873 CD2 HIS A 56 4.526 7.923 -1.101 1.00 0.00 C ATOM 874 CE1 HIS A 56 4.686 9.575 -2.529 1.00 0.00 C ATOM 875 NE2 HIS A 56 5.349 8.578 -1.981 1.00 0.00 N ATOM 0 H HIS A 56 -0.090 8.602 0.706 1.00 0.00 H new ATOM 0 HA HIS A 56 2.566 7.604 1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.746 7.206 -0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.253 8.879 -0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.785 7.069 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.077 10.269 -3.258 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.319 8.332 -2.179 1.00 0.00 H new ATOM 884 N VAL A 57 3.711 9.736 2.220 1.00 0.00 N ATOM 885 CA VAL A 57 4.379 10.994 2.679 1.00 0.00 C ATOM 886 C VAL A 57 5.796 10.714 3.264 1.00 0.00 C ATOM 887 O VAL A 57 6.087 9.596 3.684 1.00 0.00 O ATOM 888 CB VAL A 57 3.492 11.790 3.738 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.299 10.998 5.040 1.00 0.00 C ATOM 890 CG2 VAL A 57 4.041 13.221 4.013 1.00 0.00 C ATOM 0 H VAL A 57 4.220 8.887 2.465 1.00 0.00 H new ATOM 0 HA VAL A 57 4.492 11.622 1.795 1.00 0.00 H new ATOM 0 HB VAL A 57 2.508 11.910 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.689 11.579 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.800 10.054 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.271 10.799 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.402 13.722 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.055 13.152 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.050 13.792 3.084 1.00 0.00 H new ATOM 900 N MET A 58 6.658 11.759 3.227 1.00 0.00 N ATOM 901 CA MET A 58 7.995 11.824 3.869 1.00 0.00 C ATOM 902 C MET A 58 9.001 10.812 3.270 1.00 0.00 C ATOM 903 O MET A 58 9.775 11.158 2.361 1.00 0.00 O ATOM 904 CB MET A 58 7.883 11.695 5.421 1.00 0.00 C ATOM 905 CG MET A 58 9.197 11.921 6.186 1.00 0.00 C ATOM 906 SD MET A 58 8.966 11.869 7.980 1.00 0.00 S ATOM 907 CE MET A 58 10.628 12.199 8.568 1.00 0.00 C ATOM 0 H MET A 58 6.431 12.618 2.727 1.00 0.00 H new ATOM 0 HA MET A 58 8.402 12.811 3.648 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.144 12.412 5.778 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.506 10.701 5.662 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.921 11.160 5.893 1.00 0.00 H new ATOM 0 HG3 MET A 58 9.617 12.886 5.904 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.635 12.197 9.658 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.304 11.428 8.199 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.956 13.173 8.205 1.00 0.00 H new ATOM 917 N ASP A 59 8.954 9.563 3.757 1.00 0.00 N ATOM 918 CA ASP A 59 9.876 8.478 3.345 1.00 0.00 C ATOM 919 C ASP A 59 9.095 7.197 3.035 1.00 0.00 C ATOM 920 O ASP A 59 9.619 6.277 2.389 1.00 0.00 O ATOM 921 CB ASP A 59 10.902 8.185 4.481 1.00 0.00 C ATOM 922 CG ASP A 59 10.258 7.589 5.758 1.00 0.00 C ATOM 923 OD1 ASP A 59 9.641 8.350 6.535 1.00 0.00 O ATOM 924 OD2 ASP A 59 10.339 6.356 5.981 1.00 0.00 O ATOM 0 H ASP A 59 8.271 9.268 4.455 1.00 0.00 H new ATOM 0 HA ASP A 59 10.404 8.804 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.657 7.493 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.417 9.109 4.741 1.00 0.00 H new ATOM 929 N PHE A 60 7.836 7.155 3.494 1.00 0.00 N ATOM 930 CA PHE A 60 7.071 5.913 3.633 1.00 0.00 C ATOM 931 C PHE A 60 5.765 5.941 2.842 1.00 0.00 C ATOM 932 O PHE A 60 5.340 6.978 2.304 1.00 0.00 O ATOM 933 CB PHE A 60 6.789 5.641 5.138 1.00 0.00 C ATOM 934 CG PHE A 60 5.856 6.647 5.834 1.00 0.00 C ATOM 935 CD1 PHE A 60 6.334 7.875 6.285 1.00 0.00 C ATOM 936 CD2 PHE A 60 4.504 6.354 6.043 1.00 0.00 C ATOM 937 CE1 PHE A 60 5.500 8.773 6.918 1.00 0.00 C ATOM 938 CE2 PHE A 60 3.673 7.258 6.676 1.00 0.00 C ATOM 939 CZ PHE A 60 4.170 8.464 7.114 1.00 0.00 C ATOM 0 H PHE A 60 7.320 7.987 3.780 1.00 0.00 H new ATOM 0 HA PHE A 60 7.673 5.105 3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.356 4.645 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.740 5.627 5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.373 8.128 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.105 5.409 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.889 9.720 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.631 7.018 6.827 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.519 9.168 7.611 1.00 0.00 H new ATOM 949 N ILE A 61 5.139 4.760 2.797 1.00 0.00 N ATOM 950 CA ILE A 61 3.838 4.533 2.168 1.00 0.00 C ATOM 951 C ILE A 61 2.918 3.870 3.221 1.00 0.00 C ATOM 952 O ILE A 61 3.097 2.694 3.550 1.00 0.00 O ATOM 953 CB ILE A 61 4.018 3.617 0.887 1.00 0.00 C ATOM 954 CG1 ILE A 61 5.019 4.273 -0.131 1.00 0.00 C ATOM 955 CG2 ILE A 61 2.662 3.315 0.211 1.00 0.00 C ATOM 956 CD1 ILE A 61 5.297 3.461 -1.385 1.00 0.00 C ATOM 0 H ILE A 61 5.535 3.915 3.208 1.00 0.00 H new ATOM 0 HA ILE A 61 3.389 5.469 1.836 1.00 0.00 H new ATOM 0 HB ILE A 61 4.439 2.667 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.625 5.245 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.964 4.455 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.824 2.685 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.011 2.797 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.193 4.249 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.999 4.001 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.726 2.498 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.366 3.300 -1.928 1.00 0.00 H new ATOM 968 N SER A 62 1.985 4.646 3.807 1.00 0.00 N ATOM 969 CA SER A 62 1.083 4.145 4.863 1.00 0.00 C ATOM 970 C SER A 62 -0.159 3.479 4.251 1.00 0.00 C ATOM 971 O SER A 62 -1.168 4.133 4.005 1.00 0.00 O ATOM 972 CB SER A 62 0.682 5.270 5.846 1.00 0.00 C ATOM 973 OG SER A 62 -0.087 4.765 6.927 1.00 0.00 O ATOM 0 H SER A 62 1.836 5.626 3.566 1.00 0.00 H new ATOM 0 HA SER A 62 1.627 3.391 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.579 5.755 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.110 6.032 5.316 1.00 0.00 H new ATOM 0 HG SER A 62 -0.033 3.787 6.938 1.00 0.00 H new ATOM 979 N VAL A 63 -0.066 2.172 3.983 1.00 0.00 N ATOM 980 CA VAL A 63 -1.186 1.404 3.404 1.00 0.00 C ATOM 981 C VAL A 63 -2.058 0.872 4.555 1.00 0.00 C ATOM 982 O VAL A 63 -1.621 -0.008 5.300 1.00 0.00 O ATOM 983 CB VAL A 63 -0.679 0.217 2.490 1.00 0.00 C ATOM 984 CG1 VAL A 63 -1.852 -0.480 1.760 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.384 0.708 1.478 1.00 0.00 C ATOM 0 H VAL A 63 0.773 1.618 4.156 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.771 2.062 2.762 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.212 -0.520 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.466 -1.290 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.549 -0.885 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.369 0.243 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.715 -0.129 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.049 1.478 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.236 1.121 2.017 1.00 0.00 H new ATOM 995 N ASP A 64 -3.261 1.451 4.735 1.00 0.00 N ATOM 996 CA ASP A 64 -4.181 1.069 5.829 1.00 0.00 C ATOM 997 C ASP A 64 -5.372 0.259 5.291 1.00 0.00 C ATOM 998 O ASP A 64 -5.737 0.374 4.109 1.00 0.00 O ATOM 999 CB ASP A 64 -4.659 2.320 6.615 1.00 0.00 C ATOM 1000 CG ASP A 64 -5.657 3.205 5.853 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -5.221 3.982 4.987 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -6.874 3.137 6.137 1.00 0.00 O ATOM 0 H ASP A 64 -3.622 2.191 4.133 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.633 0.431 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.120 1.994 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.789 2.921 6.882 1.00 0.00 H new ATOM 1007 N LYS A 65 -6.003 -0.511 6.195 1.00 0.00 N ATOM 1008 CA LYS A 65 -6.951 -1.586 5.840 1.00 0.00 C ATOM 1009 C LYS A 65 -8.168 -1.614 6.785 1.00 0.00 C ATOM 1010 O LYS A 65 -8.394 -0.683 7.566 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.209 -2.944 5.943 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.677 -3.234 7.367 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.196 -4.678 7.558 1.00 0.00 C ATOM 1014 CE LYS A 65 -4.649 -4.911 8.970 1.00 0.00 C ATOM 1015 NZ LYS A 65 -4.149 -6.285 9.156 1.00 0.00 N ATOM 0 H LYS A 65 -5.869 -0.405 7.201 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.315 -1.404 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.885 -3.745 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.375 -2.951 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.854 -2.553 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.464 -3.023 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.021 -5.364 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.421 -4.903 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.843 -4.204 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.434 -4.710 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.044 -6.482 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.823 -6.959 8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.226 -6.385 8.687 1.00 0.00 H new ATOM 1029 N GLU A 66 -8.943 -2.716 6.684 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.024 -3.060 7.623 1.00 0.00 C ATOM 1031 C GLU A 66 -9.480 -3.884 8.807 1.00 0.00 C ATOM 1032 O GLU A 66 -8.410 -4.496 8.715 1.00 0.00 O ATOM 1033 CB GLU A 66 -11.145 -3.839 6.881 1.00 0.00 C ATOM 1034 CG GLU A 66 -11.730 -3.090 5.665 1.00 0.00 C ATOM 1035 CD GLU A 66 -12.153 -1.648 6.005 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -13.156 -1.469 6.727 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -11.462 -0.692 5.590 1.00 0.00 O ATOM 0 H GLU A 66 -8.830 -3.399 5.935 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.444 -2.137 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.748 -4.798 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.950 -4.055 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.989 -3.069 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.593 -3.638 5.286 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.259 -3.920 9.902 1.00 0.00 N ATOM 1045 CA ASN A 67 -9.841 -4.521 11.189 1.00 0.00 C ATOM 1046 C ASN A 67 -9.635 -6.052 11.104 1.00 0.00 C ATOM 1047 O ASN A 67 -8.845 -6.622 11.871 1.00 0.00 O ATOM 1048 CB ASN A 67 -10.861 -4.152 12.299 1.00 0.00 C ATOM 1049 CG ASN A 67 -12.251 -4.755 12.079 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -13.079 -4.196 11.358 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -12.520 -5.883 12.716 1.00 0.00 N ATOM 0 H ASN A 67 -11.202 -3.532 9.923 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.867 -4.103 11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.476 -4.489 13.261 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.949 -3.067 12.354 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.438 -6.318 12.618 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.810 -6.318 13.305 1.00 0.00 H new ATOM 1058 N ASP A 68 -10.346 -6.697 10.170 1.00 0.00 N ATOM 1059 CA ASP A 68 -10.261 -8.157 9.931 1.00 0.00 C ATOM 1060 C ASP A 68 -9.307 -8.490 8.769 1.00 0.00 C ATOM 1061 O ASP A 68 -8.755 -9.594 8.731 1.00 0.00 O ATOM 1062 CB ASP A 68 -11.663 -8.767 9.692 1.00 0.00 C ATOM 1063 CG ASP A 68 -12.532 -8.793 10.963 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -12.232 -9.580 11.888 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -13.510 -8.032 11.055 1.00 0.00 O ATOM 0 H ASP A 68 -11.003 -6.223 9.551 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.847 -8.609 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.176 -8.194 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.551 -9.783 9.314 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.169 -7.550 7.806 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.327 -7.725 6.594 1.00 0.00 C ATOM 1072 C ALA A 69 -6.895 -8.208 6.938 1.00 0.00 C ATOM 1073 O ALA A 69 -6.253 -7.667 7.839 1.00 0.00 O ATOM 1074 CB ALA A 69 -8.278 -6.411 5.797 1.00 0.00 C ATOM 0 H ALA A 69 -9.639 -6.645 7.845 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.785 -8.503 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.659 -6.546 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.287 -6.130 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.853 -5.624 6.419 1.00 0.00 H new ATOM 1080 N ASN A 70 -6.428 -9.259 6.241 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.101 -9.869 6.484 1.00 0.00 C ATOM 1082 C ASN A 70 -4.117 -9.464 5.384 1.00 0.00 C ATOM 1083 O ASN A 70 -4.397 -9.657 4.192 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.219 -11.413 6.542 1.00 0.00 C ATOM 1085 CG ASN A 70 -5.948 -11.917 7.791 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -7.173 -12.020 7.816 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -5.198 -12.244 8.831 1.00 0.00 N ATOM 0 H ASN A 70 -6.956 -9.711 5.494 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.728 -9.507 7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.747 -11.764 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.220 -11.848 6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.634 -12.593 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.184 -12.147 8.779 1.00 0.00 H new ATOM 1094 N TRP A 71 -2.946 -8.933 5.789 1.00 0.00 N ATOM 1095 CA TRP A 71 -1.876 -8.561 4.847 1.00 0.00 C ATOM 1096 C TRP A 71 -1.193 -9.797 4.256 1.00 0.00 C ATOM 1097 O TRP A 71 -0.519 -9.680 3.261 1.00 0.00 O ATOM 1098 CB TRP A 71 -0.807 -7.660 5.508 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.292 -6.290 5.931 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -1.284 -5.786 7.189 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -1.834 -5.257 5.093 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -1.770 -4.505 7.198 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.120 -4.160 5.922 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -2.112 -5.153 3.729 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.645 -2.974 5.435 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -2.643 -3.975 3.247 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -2.908 -2.900 4.101 1.00 0.00 C ATOM 0 H TRP A 71 -2.719 -8.752 6.767 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.359 -8.000 4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.412 -8.175 6.384 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.022 -7.535 4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.942 -6.320 8.063 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.856 -3.908 8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.915 -5.980 3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.839 -2.138 6.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.858 -3.881 2.193 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -3.330 -1.993 3.694 1.00 0.00 H new ATOM 1118 N GLU A 72 -1.371 -10.974 4.873 1.00 0.00 N ATOM 1119 CA GLU A 72 -0.766 -12.231 4.376 1.00 0.00 C ATOM 1120 C GLU A 72 -1.238 -12.535 2.928 1.00 0.00 C ATOM 1121 O GLU A 72 -0.472 -13.040 2.100 1.00 0.00 O ATOM 1122 CB GLU A 72 -1.114 -13.404 5.331 1.00 0.00 C ATOM 1123 CG GLU A 72 -0.392 -14.730 5.023 1.00 0.00 C ATOM 1124 CD GLU A 72 -0.827 -15.881 5.941 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -0.330 -15.972 7.079 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -1.686 -16.685 5.533 1.00 0.00 O ATOM 0 H GLU A 72 -1.929 -11.088 5.719 1.00 0.00 H new ATOM 0 HA GLU A 72 0.317 -12.112 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.874 -13.105 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.190 -13.576 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.583 -15.008 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.684 -14.582 5.121 1.00 0.00 H new ATOM 1133 N THR A 73 -2.493 -12.172 2.645 1.00 0.00 N ATOM 1134 CA THR A 73 -3.112 -12.343 1.329 1.00 0.00 C ATOM 1135 C THR A 73 -2.726 -11.173 0.391 1.00 0.00 C ATOM 1136 O THR A 73 -2.373 -11.386 -0.778 1.00 0.00 O ATOM 1137 CB THR A 73 -4.664 -12.425 1.483 1.00 0.00 C ATOM 1138 OG1 THR A 73 -4.990 -13.418 2.472 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.374 -12.775 0.159 1.00 0.00 C ATOM 0 H THR A 73 -3.114 -11.746 3.333 1.00 0.00 H new ATOM 0 HA THR A 73 -2.748 -13.270 0.886 1.00 0.00 H new ATOM 0 HB THR A 73 -5.014 -11.439 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.963 -13.472 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.451 -12.819 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.152 -12.011 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.022 -13.743 -0.198 1.00 0.00 H new ATOM 1147 N VAL A 74 -2.794 -9.938 0.935 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.661 -8.683 0.158 1.00 0.00 C ATOM 1149 C VAL A 74 -1.196 -8.398 -0.265 1.00 0.00 C ATOM 1150 O VAL A 74 -0.939 -7.962 -1.394 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.208 -7.458 0.990 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -3.151 -6.132 0.183 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.640 -7.730 1.505 1.00 0.00 C ATOM 0 H VAL A 74 -2.944 -9.782 1.932 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.252 -8.814 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.552 -7.339 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.537 -5.317 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.119 -5.919 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.757 -6.228 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.991 -6.870 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.305 -7.901 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.635 -8.612 2.146 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.255 -8.683 0.653 1.00 0.00 N ATOM 1164 CA LEU A 75 1.171 -8.262 0.558 1.00 0.00 C ATOM 1165 C LEU A 75 1.869 -8.806 -0.723 1.00 0.00 C ATOM 1166 O LEU A 75 2.586 -8.041 -1.328 1.00 0.00 O ATOM 1167 CB LEU A 75 1.964 -8.648 1.861 1.00 0.00 C ATOM 1168 CG LEU A 75 3.211 -7.773 2.280 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.664 -8.135 3.716 1.00 0.00 C ATOM 1170 CD2 LEU A 75 4.403 -7.901 1.293 1.00 0.00 C ATOM 0 H LEU A 75 -0.458 -9.219 1.497 1.00 0.00 H new ATOM 0 HA LEU A 75 1.177 -7.175 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.259 -8.637 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.306 -9.677 1.747 1.00 0.00 H new ATOM 0 HG LEU A 75 2.887 -6.733 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.524 -7.524 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.848 -7.947 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.940 -9.189 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.228 -7.276 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.729 -8.940 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.090 -7.576 0.301 1.00 0.00 H new ATOM 1182 N PRO A 76 1.713 -10.117 -1.154 1.00 0.00 N ATOM 1183 CA PRO A 76 2.292 -10.614 -2.447 1.00 0.00 C ATOM 1184 C PRO A 76 1.996 -9.712 -3.681 1.00 0.00 C ATOM 1185 O PRO A 76 2.808 -9.626 -4.610 1.00 0.00 O ATOM 1186 CB PRO A 76 1.630 -11.998 -2.609 1.00 0.00 C ATOM 1187 CG PRO A 76 1.415 -12.480 -1.212 1.00 0.00 C ATOM 1188 CD PRO A 76 1.050 -11.240 -0.410 1.00 0.00 C ATOM 0 HA PRO A 76 3.381 -10.628 -2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.688 -11.925 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.270 -12.680 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.619 -13.223 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.314 -12.953 -0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.030 -11.102 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.412 -11.307 0.616 1.00 0.00 H new ATOM 1196 N LYS A 77 0.831 -9.039 -3.662 1.00 0.00 N ATOM 1197 CA LYS A 77 0.384 -8.148 -4.756 1.00 0.00 C ATOM 1198 C LYS A 77 1.045 -6.757 -4.610 1.00 0.00 C ATOM 1199 O LYS A 77 1.483 -6.165 -5.599 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.173 -8.032 -4.781 1.00 0.00 C ATOM 1201 CG LYS A 77 -1.939 -9.347 -5.122 1.00 0.00 C ATOM 1202 CD LYS A 77 -1.889 -10.416 -4.001 1.00 0.00 C ATOM 1203 CE LYS A 77 -2.560 -11.746 -4.403 1.00 0.00 C ATOM 1204 NZ LYS A 77 -4.014 -11.600 -4.656 1.00 0.00 N ATOM 0 H LYS A 77 0.170 -9.096 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 77 0.696 -8.580 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.509 -7.679 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.452 -7.271 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.981 -9.104 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.521 -9.773 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.849 -10.606 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.379 -10.023 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.077 -12.136 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.405 -12.480 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.414 -12.522 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.483 -11.254 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.165 -10.921 -5.429 1.00 0.00 H new ATOM 1218 N VAL A 78 1.125 -6.274 -3.352 1.00 0.00 N ATOM 1219 CA VAL A 78 1.805 -5.003 -2.994 1.00 0.00 C ATOM 1220 C VAL A 78 3.323 -5.108 -3.307 1.00 0.00 C ATOM 1221 O VAL A 78 3.947 -4.182 -3.836 1.00 0.00 O ATOM 1222 CB VAL A 78 1.582 -4.680 -1.460 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.226 -3.342 -1.035 1.00 0.00 C ATOM 1224 CG2 VAL A 78 0.076 -4.710 -1.098 1.00 0.00 C ATOM 0 H VAL A 78 0.719 -6.755 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 78 1.379 -4.193 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 78 2.088 -5.465 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.042 -3.171 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.300 -3.382 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.790 -2.528 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.048 -4.485 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.456 -3.967 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.329 -5.700 -1.308 1.00 0.00 H new ATOM 1234 N GLU A 79 3.855 -6.302 -3.032 1.00 0.00 N ATOM 1235 CA GLU A 79 5.268 -6.676 -3.212 1.00 0.00 C ATOM 1236 C GLU A 79 5.645 -6.589 -4.695 1.00 0.00 C ATOM 1237 O GLU A 79 6.654 -5.980 -5.069 1.00 0.00 O ATOM 1238 CB GLU A 79 5.456 -8.137 -2.707 1.00 0.00 C ATOM 1239 CG GLU A 79 6.872 -8.718 -2.832 1.00 0.00 C ATOM 1240 CD GLU A 79 7.854 -8.098 -1.836 1.00 0.00 C ATOM 1241 OE1 GLU A 79 7.918 -8.579 -0.686 1.00 0.00 O ATOM 1242 OE2 GLU A 79 8.553 -7.136 -2.192 1.00 0.00 O ATOM 0 H GLU A 79 3.293 -7.069 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 79 5.909 -5.998 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.159 -8.179 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.771 -8.781 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.833 -9.796 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.238 -8.557 -3.846 1.00 0.00 H new ATOM 1249 N ALA A 80 4.762 -7.186 -5.516 1.00 0.00 N ATOM 1250 CA ALA A 80 4.861 -7.218 -6.983 1.00 0.00 C ATOM 1251 C ALA A 80 4.969 -5.799 -7.583 1.00 0.00 C ATOM 1252 O ALA A 80 5.591 -5.608 -8.629 1.00 0.00 O ATOM 1253 CB ALA A 80 3.650 -7.971 -7.564 1.00 0.00 C ATOM 0 H ALA A 80 3.937 -7.673 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 80 5.776 -7.745 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.724 -7.995 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.637 -8.991 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.731 -7.462 -7.274 1.00 0.00 H new ATOM 1259 N VAL A 81 4.343 -4.819 -6.906 1.00 0.00 N ATOM 1260 CA VAL A 81 4.348 -3.405 -7.332 1.00 0.00 C ATOM 1261 C VAL A 81 5.759 -2.799 -7.192 1.00 0.00 C ATOM 1262 O VAL A 81 6.313 -2.269 -8.165 1.00 0.00 O ATOM 1263 CB VAL A 81 3.290 -2.580 -6.504 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.413 -1.046 -6.707 1.00 0.00 C ATOM 1265 CG2 VAL A 81 1.861 -3.090 -6.815 1.00 0.00 C ATOM 0 H VAL A 81 3.818 -4.984 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 81 4.068 -3.357 -8.384 1.00 0.00 H new ATOM 0 HB VAL A 81 3.502 -2.747 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.656 -0.538 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.404 -0.716 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.266 -0.805 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.136 -2.515 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.656 -2.971 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.784 -4.144 -6.546 1.00 0.00 H new ATOM 1275 N PHE A 82 6.324 -2.882 -5.977 1.00 0.00 N ATOM 1276 CA PHE A 82 7.688 -2.381 -5.687 1.00 0.00 C ATOM 1277 C PHE A 82 8.784 -3.160 -6.450 1.00 0.00 C ATOM 1278 O PHE A 82 9.836 -2.603 -6.765 1.00 0.00 O ATOM 1279 CB PHE A 82 7.938 -2.426 -4.161 1.00 0.00 C ATOM 1280 CG PHE A 82 6.849 -1.708 -3.366 1.00 0.00 C ATOM 1281 CD1 PHE A 82 6.404 -0.442 -3.756 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.244 -2.309 -2.268 1.00 0.00 C ATOM 1283 CE1 PHE A 82 5.389 0.190 -3.075 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.239 -1.665 -1.583 1.00 0.00 C ATOM 1285 CZ PHE A 82 4.809 -0.422 -1.991 1.00 0.00 C ATOM 0 H PHE A 82 5.857 -3.294 -5.169 1.00 0.00 H new ATOM 0 HA PHE A 82 7.747 -1.351 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.995 -3.465 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.903 -1.970 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.863 0.047 -4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.565 -3.290 -1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.049 1.165 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.786 -2.136 -0.723 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.012 0.074 -1.456 1.00 0.00 H new ATOM 1295 N GLU A 83 8.523 -4.443 -6.744 1.00 0.00 N ATOM 1296 CA GLU A 83 9.463 -5.306 -7.491 1.00 0.00 C ATOM 1297 C GLU A 83 9.393 -5.060 -9.006 1.00 0.00 C ATOM 1298 O GLU A 83 10.429 -5.076 -9.689 1.00 0.00 O ATOM 1299 CB GLU A 83 9.180 -6.808 -7.187 1.00 0.00 C ATOM 1300 CG GLU A 83 9.581 -7.255 -5.768 1.00 0.00 C ATOM 1301 CD GLU A 83 11.107 -7.334 -5.554 1.00 0.00 C ATOM 1302 OE1 GLU A 83 11.762 -6.287 -5.355 1.00 0.00 O ATOM 1303 OE2 GLU A 83 11.665 -8.452 -5.579 1.00 0.00 O ATOM 0 H GLU A 83 7.659 -4.914 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 83 10.469 -5.050 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.117 -7.001 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.715 -7.420 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.156 -6.560 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.143 -8.233 -5.567 1.00 0.00 H new ATOM 1310 N LEU A 84 8.160 -4.837 -9.513 1.00 0.00 N ATOM 1311 CA LEU A 84 7.831 -4.903 -10.961 1.00 0.00 C ATOM 1312 C LEU A 84 8.250 -6.280 -11.523 1.00 0.00 C ATOM 1313 O LEU A 84 8.690 -6.397 -12.681 1.00 0.00 O ATOM 1314 CB LEU A 84 8.466 -3.709 -11.749 1.00 0.00 C ATOM 1315 CG LEU A 84 7.942 -2.284 -11.362 1.00 0.00 C ATOM 1316 CD1 LEU A 84 8.619 -1.182 -12.208 1.00 0.00 C ATOM 1317 CD2 LEU A 84 6.401 -2.200 -11.471 1.00 0.00 C ATOM 0 H LEU A 84 7.358 -4.604 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 84 6.753 -4.802 -11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.545 -3.732 -11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.288 -3.865 -12.813 1.00 0.00 H new ATOM 0 HG LEU A 84 8.211 -2.113 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.232 -0.207 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.696 -1.209 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.407 -1.352 -13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.071 -1.198 -11.196 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.097 -2.414 -12.496 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.948 -2.929 -10.799 1.00 0.00 H new ATOM 1329 N GLU A 85 8.043 -7.322 -10.668 1.00 0.00 N ATOM 1330 CA GLU A 85 8.564 -8.691 -10.864 1.00 0.00 C ATOM 1331 C GLU A 85 10.103 -8.626 -11.099 1.00 0.00 C ATOM 1332 O GLU A 85 10.804 -7.907 -10.377 1.00 0.00 O ATOM 1333 CB GLU A 85 7.804 -9.439 -12.017 1.00 0.00 C ATOM 1334 CG GLU A 85 6.299 -9.726 -11.785 1.00 0.00 C ATOM 1335 CD GLU A 85 5.428 -8.463 -11.749 1.00 0.00 C ATOM 1336 OE1 GLU A 85 5.056 -7.954 -12.828 1.00 0.00 O ATOM 1337 OE2 GLU A 85 5.123 -7.962 -10.647 1.00 0.00 O ATOM 0 H GLU A 85 7.499 -7.224 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 85 8.383 -9.279 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.902 -8.849 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.308 -10.389 -12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.938 -10.383 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.182 -10.264 -10.845 1.00 0.00 H new ATOM 1344 N HIS A 86 10.633 -9.392 -12.075 1.00 0.00 N ATOM 1345 CA HIS A 86 12.000 -9.191 -12.600 1.00 0.00 C ATOM 1346 C HIS A 86 11.912 -8.829 -14.093 1.00 0.00 C ATOM 1347 O HIS A 86 12.561 -9.445 -14.943 1.00 0.00 O ATOM 1348 CB HIS A 86 12.894 -10.444 -12.354 1.00 0.00 C ATOM 1349 CG HIS A 86 13.154 -10.741 -10.899 1.00 0.00 C ATOM 1350 ND1 HIS A 86 13.934 -9.938 -10.097 1.00 0.00 N ATOM 1351 CD2 HIS A 86 12.726 -11.749 -10.103 1.00 0.00 C ATOM 1352 CE1 HIS A 86 13.973 -10.438 -8.879 1.00 0.00 C ATOM 1353 NE2 HIS A 86 13.247 -11.536 -8.854 1.00 0.00 N ATOM 0 H HIS A 86 10.131 -10.161 -12.518 1.00 0.00 H new ATOM 0 HA HIS A 86 12.477 -8.369 -12.066 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.418 -11.312 -12.811 1.00 0.00 H new ATOM 0 HB3 HIS A 86 13.849 -10.301 -12.860 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.090 -12.571 -10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.510 -10.018 -8.042 1.00 0.00 H new ATOM 0 HE2 HIS A 86 13.097 -12.130 -8.039 1.00 0.00 H new ATOM 1362 N HIS A 87 11.075 -7.820 -14.401 1.00 0.00 N ATOM 1363 CA HIS A 87 10.982 -7.228 -15.755 1.00 0.00 C ATOM 1364 C HIS A 87 12.087 -6.171 -15.949 1.00 0.00 C ATOM 1365 O HIS A 87 13.050 -6.121 -15.166 1.00 0.00 O ATOM 1366 CB HIS A 87 9.576 -6.607 -15.974 1.00 0.00 C ATOM 1367 CG HIS A 87 8.474 -7.618 -16.154 1.00 0.00 C ATOM 1368 ND1 HIS A 87 8.223 -8.245 -17.357 1.00 0.00 N ATOM 1369 CD2 HIS A 87 7.561 -8.108 -15.287 1.00 0.00 C ATOM 1370 CE1 HIS A 87 7.208 -9.074 -17.214 1.00 0.00 C ATOM 1371 NE2 HIS A 87 6.789 -9.008 -15.968 1.00 0.00 N ATOM 0 H HIS A 87 10.445 -7.391 -13.723 1.00 0.00 H new ATOM 0 HA HIS A 87 11.126 -8.014 -16.497 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.335 -5.972 -15.121 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.609 -5.962 -16.852 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.459 -7.838 -14.246 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.791 -9.701 -17.988 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.014 -9.542 -15.574 1.00 0.00 H new ATOM 1380 N HIS A 88 11.966 -5.350 -17.015 1.00 0.00 N ATOM 1381 CA HIS A 88 12.915 -4.250 -17.272 1.00 0.00 C ATOM 1382 C HIS A 88 12.702 -3.114 -16.236 1.00 0.00 C ATOM 1383 O HIS A 88 12.037 -2.106 -16.486 1.00 0.00 O ATOM 1384 CB HIS A 88 12.839 -3.752 -18.751 1.00 0.00 C ATOM 1385 CG HIS A 88 11.508 -3.169 -19.194 1.00 0.00 C ATOM 1386 ND1 HIS A 88 11.282 -1.809 -19.298 1.00 0.00 N ATOM 1387 CD2 HIS A 88 10.353 -3.764 -19.584 1.00 0.00 C ATOM 1388 CE1 HIS A 88 10.053 -1.597 -19.729 1.00 0.00 C ATOM 1389 NE2 HIS A 88 9.472 -2.763 -19.911 1.00 0.00 N ATOM 0 H HIS A 88 11.222 -5.430 -17.708 1.00 0.00 H new ATOM 0 HA HIS A 88 13.931 -4.624 -17.143 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.610 -2.996 -18.898 1.00 0.00 H new ATOM 0 HB3 HIS A 88 13.082 -4.588 -19.407 1.00 0.00 H new ATOM 0 HD2 HIS A 88 10.162 -4.826 -19.629 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.601 -0.631 -19.903 1.00 0.00 H new ATOM 0 HE2 HIS A 88 8.517 -2.902 -20.243 1.00 0.00 H new ATOM 1398 N HIS A 89 13.264 -3.335 -15.041 1.00 0.00 N ATOM 1399 CA HIS A 89 13.175 -2.411 -13.892 1.00 0.00 C ATOM 1400 C HIS A 89 14.514 -1.638 -13.761 1.00 0.00 C ATOM 1401 O HIS A 89 14.847 -1.116 -12.695 1.00 0.00 O ATOM 1402 CB HIS A 89 12.845 -3.257 -12.618 1.00 0.00 C ATOM 1403 CG HIS A 89 12.435 -2.479 -11.381 1.00 0.00 C ATOM 1404 ND1 HIS A 89 12.295 -3.071 -10.146 1.00 0.00 N ATOM 1405 CD2 HIS A 89 12.120 -1.167 -11.197 1.00 0.00 C ATOM 1406 CE1 HIS A 89 11.918 -2.168 -9.263 1.00 0.00 C ATOM 1407 NE2 HIS A 89 11.802 -1.008 -9.873 1.00 0.00 N ATOM 0 H HIS A 89 13.805 -4.176 -14.837 1.00 0.00 H new ATOM 0 HA HIS A 89 12.386 -1.671 -14.026 1.00 0.00 H new ATOM 0 HB2 HIS A 89 12.042 -3.951 -12.867 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.720 -3.857 -12.370 1.00 0.00 H new ATOM 0 HD1 HIS A 89 12.458 -4.058 -9.945 1.00 0.00 H new ATOM 0 HD2 HIS A 89 12.121 -0.396 -11.953 1.00 0.00 H new ATOM 0 HE1 HIS A 89 11.735 -2.350 -8.214 1.00 0.00 H new ATOM 1416 N HIS A 90 15.269 -1.578 -14.894 1.00 0.00 N ATOM 1417 CA HIS A 90 16.631 -0.968 -15.000 1.00 0.00 C ATOM 1418 C HIS A 90 17.685 -1.740 -14.176 1.00 0.00 C ATOM 1419 O HIS A 90 18.853 -1.329 -14.105 1.00 0.00 O ATOM 1420 CB HIS A 90 16.602 0.544 -14.630 1.00 0.00 C ATOM 1421 CG HIS A 90 15.680 1.364 -15.506 1.00 0.00 C ATOM 1422 ND1 HIS A 90 16.088 1.966 -16.680 1.00 0.00 N ATOM 1423 CD2 HIS A 90 14.352 1.631 -15.397 1.00 0.00 C ATOM 1424 CE1 HIS A 90 15.057 2.564 -17.249 1.00 0.00 C ATOM 1425 NE2 HIS A 90 13.996 2.373 -16.492 1.00 0.00 N ATOM 0 H HIS A 90 14.942 -1.961 -15.781 1.00 0.00 H new ATOM 0 HA HIS A 90 16.937 -1.047 -16.043 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.291 0.649 -13.591 1.00 0.00 H new ATOM 0 HB3 HIS A 90 17.612 0.947 -14.703 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.699 1.317 -14.596 1.00 0.00 H new ATOM 0 HE1 HIS A 90 15.080 3.116 -18.177 1.00 0.00 H new ATOM 0 HE2 HIS A 90 13.058 2.722 -16.690 1.00 0.00 H new ATOM 1434 N HIS A 91 17.253 -2.884 -13.619 1.00 0.00 N ATOM 1435 CA HIS A 91 18.023 -3.727 -12.707 1.00 0.00 C ATOM 1436 C HIS A 91 17.093 -4.883 -12.271 1.00 0.00 C ATOM 1437 O HIS A 91 16.104 -4.612 -11.557 1.00 0.00 O ATOM 1438 CB HIS A 91 18.545 -2.925 -11.476 1.00 0.00 C ATOM 1439 CG HIS A 91 19.387 -3.731 -10.514 1.00 0.00 C ATOM 1440 ND1 HIS A 91 20.710 -4.042 -10.759 1.00 0.00 N ATOM 1441 CD2 HIS A 91 19.093 -4.289 -9.309 1.00 0.00 C ATOM 1442 CE1 HIS A 91 21.189 -4.751 -9.753 1.00 0.00 C ATOM 1443 NE2 HIS A 91 20.233 -4.915 -8.862 1.00 0.00 N ATOM 1444 OXT HIS A 91 17.336 -6.042 -12.654 1.00 0.00 O ATOM 0 H HIS A 91 16.321 -3.256 -13.803 1.00 0.00 H new ATOM 0 HA HIS A 91 18.911 -4.112 -13.208 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.133 -2.079 -11.832 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.691 -2.516 -10.936 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.142 -4.248 -8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 91 22.196 -5.133 -9.674 1.00 0.00 H new ATOM 0 HE2 HIS A 91 20.324 -5.424 -7.983 1.00 0.00 H new TER 1453 HIS A 91