USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -8.45! C(o=-15!,f=-16!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -6.27 K(o=-15,f=-25!) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.563 USER MOD Set 2.2: A 35 ASN : amide:sc= -0.473 K(o=0.091,f=-5.5!) USER MOD Set 3.1: A 7 TYR OH : rot -51:sc= 1.16 USER MOD Set 3.2: A 65 MET CE :methyl -150:sc= -0.154 (180deg=-0.309) USER MOD Single : A 1 MET CE :methyl -178:sc= -0.676 (180deg=-0.679) USER MOD Single : A 1 MET N :NH3+ -165:sc= -4.61! (180deg=-5.38!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= -0.335 (180deg=-0.335) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 12 HIS :FLIP no HE2:sc= -0.255 F(o=-5.2,f=-0.26) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc=-0.00219 (180deg=-0.0864) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc=-0.00613 (180deg=-0.198) USER MOD Single : A 29 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.4!) USER MOD Single : A 37 MET CE :methyl 169:sc= -2.27 (180deg=-2.95!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 60 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.792 0.048 -4.511 1.00 0.00 N ATOM 2 CA MET A 1 -10.420 -0.426 -4.836 1.00 0.00 C ATOM 3 C MET A 1 -9.347 0.325 -4.074 1.00 0.00 C ATOM 4 O MET A 1 -9.056 1.483 -4.362 1.00 0.00 O ATOM 5 CB MET A 1 -10.197 -0.260 -6.331 1.00 0.00 C ATOM 6 CG MET A 1 -9.015 -1.045 -6.874 1.00 0.00 C ATOM 7 SD MET A 1 -8.918 -0.982 -8.674 1.00 0.00 S ATOM 8 CE MET A 1 -8.105 0.596 -8.912 1.00 0.00 C ATOM 0 H1 MET A 1 -12.488 -0.646 -4.850 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.886 0.159 -3.481 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.962 0.963 -4.975 1.00 0.00 H new ATOM 0 HA MET A 1 -10.343 -1.472 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.099 -0.571 -6.858 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.048 0.797 -6.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.093 -0.649 -6.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.094 -2.084 -6.553 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.005 0.796 -9.979 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.698 1.384 -8.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.116 0.569 -8.454 1.00 0.00 H new ATOM 20 N PHE A 2 -8.738 -0.356 -3.116 1.00 0.00 N ATOM 21 CA PHE A 2 -7.677 0.237 -2.322 1.00 0.00 C ATOM 22 C PHE A 2 -6.386 0.294 -3.124 1.00 0.00 C ATOM 23 O PHE A 2 -6.125 -0.571 -3.963 1.00 0.00 O ATOM 24 CB PHE A 2 -7.469 -0.563 -1.037 1.00 0.00 C ATOM 25 CG PHE A 2 -8.615 -0.447 -0.076 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.695 -1.309 -0.159 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.615 0.530 0.906 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.754 -1.202 0.722 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.671 0.644 1.789 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.743 -0.224 1.698 1.00 0.00 C ATOM 0 H PHE A 2 -8.962 -1.320 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.966 1.254 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.321 -1.613 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.557 -0.221 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.710 -2.074 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.780 1.210 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.590 -1.882 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.659 1.411 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.570 -0.138 2.388 1.00 0.00 H new ATOM 40 N LYS A 3 -5.583 1.318 -2.874 1.00 0.00 N ATOM 41 CA LYS A 3 -4.326 1.482 -3.581 1.00 0.00 C ATOM 42 C LYS A 3 -3.157 1.179 -2.660 1.00 0.00 C ATOM 43 O LYS A 3 -2.981 1.829 -1.632 1.00 0.00 O ATOM 44 CB LYS A 3 -4.207 2.905 -4.127 1.00 0.00 C ATOM 45 CG LYS A 3 -4.871 3.095 -5.480 1.00 0.00 C ATOM 46 CD LYS A 3 -6.340 3.460 -5.331 1.00 0.00 C ATOM 47 CE LYS A 3 -6.763 4.496 -6.359 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.199 4.863 -6.218 1.00 0.00 N ATOM 0 H LYS A 3 -5.781 2.046 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.305 0.781 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.652 3.598 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.152 3.166 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.354 3.879 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.780 2.179 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.952 2.565 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.520 3.847 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.148 5.389 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.584 4.107 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.448 5.572 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.788 4.016 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.365 5.258 -5.270 1.00 0.00 H new ATOM 62 N VAL A 4 -2.364 0.181 -3.023 1.00 0.00 N ATOM 63 CA VAL A 4 -1.220 -0.189 -2.203 1.00 0.00 C ATOM 64 C VAL A 4 0.101 0.182 -2.862 1.00 0.00 C ATOM 65 O VAL A 4 0.336 -0.107 -4.036 1.00 0.00 O ATOM 66 CB VAL A 4 -1.200 -1.696 -1.872 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.157 -2.108 -1.324 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.282 -2.040 -0.873 1.00 0.00 C ATOM 0 H VAL A 4 -2.488 -0.379 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.332 0.377 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.388 -2.244 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.149 -3.174 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.928 -1.900 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.368 -1.545 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.249 -3.107 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.121 -1.476 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.256 -1.785 -1.290 1.00 0.00 H new ATOM 78 N TYR A 5 0.971 0.788 -2.067 1.00 0.00 N ATOM 79 CA TYR A 5 2.292 1.174 -2.511 1.00 0.00 C ATOM 80 C TYR A 5 3.318 0.347 -1.755 1.00 0.00 C ATOM 81 O TYR A 5 3.636 0.641 -0.603 1.00 0.00 O ATOM 82 CB TYR A 5 2.534 2.663 -2.254 1.00 0.00 C ATOM 83 CG TYR A 5 1.663 3.577 -3.085 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.289 3.227 -4.374 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.222 4.794 -2.582 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.501 4.062 -5.142 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.433 5.635 -3.345 1.00 0.00 C ATOM 88 CZ TYR A 5 0.077 5.265 -4.623 1.00 0.00 C ATOM 89 OH TYR A 5 -0.708 6.100 -5.383 1.00 0.00 O ATOM 0 H TYR A 5 0.775 1.024 -1.094 1.00 0.00 H new ATOM 0 HA TYR A 5 2.380 0.996 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.360 2.872 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.580 2.891 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.620 2.285 -4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.499 5.088 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.219 3.773 -6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.097 6.578 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.251 5.566 -6.000 1.00 0.00 H new ATOM 99 N GLY A 6 3.815 -0.705 -2.389 1.00 0.00 N ATOM 100 CA GLY A 6 4.778 -1.558 -1.734 1.00 0.00 C ATOM 101 C GLY A 6 5.688 -2.273 -2.705 1.00 0.00 C ATOM 102 O GLY A 6 6.331 -1.642 -3.544 1.00 0.00 O ATOM 0 H GLY A 6 3.569 -0.980 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.382 -0.959 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.250 -2.295 -1.129 1.00 0.00 H new ATOM 106 N TYR A 7 5.768 -3.590 -2.575 1.00 0.00 N ATOM 107 CA TYR A 7 6.627 -4.376 -3.425 1.00 0.00 C ATOM 108 C TYR A 7 5.944 -5.654 -3.899 1.00 0.00 C ATOM 109 O TYR A 7 5.752 -6.592 -3.126 1.00 0.00 O ATOM 110 CB TYR A 7 7.886 -4.712 -2.652 1.00 0.00 C ATOM 111 CG TYR A 7 8.517 -3.501 -2.010 1.00 0.00 C ATOM 112 CD1 TYR A 7 8.923 -2.421 -2.782 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.694 -3.428 -0.635 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.489 -1.305 -2.203 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.258 -2.312 -0.047 1.00 0.00 C ATOM 116 CZ TYR A 7 9.655 -1.253 -0.835 1.00 0.00 C ATOM 117 OH TYR A 7 10.216 -0.141 -0.254 1.00 0.00 O ATOM 0 H TYR A 7 5.245 -4.130 -1.886 1.00 0.00 H new ATOM 0 HA TYR A 7 6.867 -3.795 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.649 -5.445 -1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.606 -5.178 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.793 -2.456 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.386 -4.257 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.801 -0.474 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.387 -2.270 1.024 1.00 0.00 H new ATOM 0 HH TYR A 7 11.059 0.074 -0.705 1.00 0.00 H new ATOM 127 N ASP A 8 5.595 -5.687 -5.180 1.00 0.00 N ATOM 128 CA ASP A 8 4.952 -6.856 -5.763 1.00 0.00 C ATOM 129 C ASP A 8 5.944 -7.628 -6.629 1.00 0.00 C ATOM 130 O ASP A 8 5.814 -8.837 -6.818 1.00 0.00 O ATOM 131 CB ASP A 8 3.742 -6.450 -6.609 1.00 0.00 C ATOM 132 CG ASP A 8 2.482 -7.194 -6.211 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.238 -7.345 -4.996 1.00 0.00 O ATOM 134 OD2 ASP A 8 1.737 -7.627 -7.117 1.00 0.00 O ATOM 0 H ASP A 8 5.747 -4.918 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 8 4.610 -7.493 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.575 -5.378 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.957 -6.641 -7.660 1.00 0.00 H new ATOM 139 N SER A 9 6.930 -6.909 -7.162 1.00 0.00 N ATOM 140 CA SER A 9 7.943 -7.507 -8.022 1.00 0.00 C ATOM 141 C SER A 9 8.728 -8.591 -7.292 1.00 0.00 C ATOM 142 O SER A 9 8.714 -8.672 -6.063 1.00 0.00 O ATOM 143 CB SER A 9 8.901 -6.430 -8.536 1.00 0.00 C ATOM 144 OG SER A 9 8.295 -5.652 -9.553 1.00 0.00 O ATOM 0 H SER A 9 7.047 -5.907 -7.011 1.00 0.00 H new ATOM 0 HA SER A 9 7.430 -7.971 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.204 -5.784 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.806 -6.898 -8.923 1.00 0.00 H new ATOM 0 HG SER A 9 8.927 -4.970 -9.863 1.00 0.00 H new ATOM 150 N ASN A 10 9.425 -9.412 -8.067 1.00 0.00 N ATOM 151 CA ASN A 10 10.239 -10.491 -7.528 1.00 0.00 C ATOM 152 C ASN A 10 11.638 -9.990 -7.187 1.00 0.00 C ATOM 153 O ASN A 10 12.501 -10.764 -6.773 1.00 0.00 O ATOM 154 CB ASN A 10 10.326 -11.650 -8.522 1.00 0.00 C ATOM 155 CG ASN A 10 10.254 -13.000 -7.838 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.198 -13.631 -7.793 1.00 0.00 O ATOM 157 ND2 ASN A 10 11.380 -13.451 -7.297 1.00 0.00 N ATOM 0 H ASN A 10 9.441 -9.348 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 10 9.763 -10.849 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.514 -11.568 -9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.259 -11.577 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.392 -14.353 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.233 -12.895 -7.357 1.00 0.00 H new ATOM 164 N ILE A 11 11.854 -8.687 -7.352 1.00 0.00 N ATOM 165 CA ILE A 11 13.141 -8.088 -7.051 1.00 0.00 C ATOM 166 C ILE A 11 13.171 -7.671 -5.586 1.00 0.00 C ATOM 167 O ILE A 11 14.236 -7.451 -5.011 1.00 0.00 O ATOM 168 CB ILE A 11 13.454 -6.866 -7.968 1.00 0.00 C ATOM 169 CG1 ILE A 11 13.336 -5.545 -7.206 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.538 -6.839 -9.185 1.00 0.00 C ATOM 171 CD1 ILE A 11 13.730 -4.343 -8.035 1.00 0.00 C ATOM 0 H ILE A 11 11.151 -8.031 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 11 13.912 -8.834 -7.243 1.00 0.00 H new ATOM 0 HB ILE A 11 14.484 -6.981 -8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.309 -5.421 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.966 -5.588 -6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.781 -5.976 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.676 -7.752 -9.765 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.500 -6.770 -8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.624 -3.438 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.766 -4.446 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.084 -4.277 -8.910 1.00 0.00 H new ATOM 183 N HIS A 12 11.986 -7.579 -4.985 1.00 0.00 N ATOM 184 CA HIS A 12 11.882 -7.208 -3.585 1.00 0.00 C ATOM 185 C HIS A 12 10.792 -8.019 -2.898 1.00 0.00 C ATOM 186 O HIS A 12 9.747 -8.305 -3.483 1.00 0.00 O ATOM 187 CB HIS A 12 11.623 -5.711 -3.430 1.00 0.00 C ATOM 188 CG HIS A 12 12.014 -5.174 -2.088 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.596 -4.066 -1.426 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 12.943 -5.772 -1.271 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.259 -3.983 -0.206 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 13.057 -5.031 -0.161 1.00 0.00 N flip ATOM 0 H HIS A 12 11.094 -7.756 -5.446 1.00 0.00 H new ATOM 0 HA HIS A 12 12.834 -7.433 -3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.173 -5.173 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.564 -5.514 -3.597 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.905 -3.399 -1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.486 -6.680 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.144 -3.218 0.548 1.00 0.00 H new ATOM 200 N LYS A 13 11.064 -8.411 -1.663 1.00 0.00 N ATOM 201 CA LYS A 13 10.134 -9.226 -0.884 1.00 0.00 C ATOM 202 C LYS A 13 9.025 -8.402 -0.234 1.00 0.00 C ATOM 203 O LYS A 13 8.998 -7.176 -0.328 1.00 0.00 O ATOM 204 CB LYS A 13 10.895 -9.999 0.195 1.00 0.00 C ATOM 205 CG LYS A 13 10.511 -11.468 0.276 1.00 0.00 C ATOM 206 CD LYS A 13 9.770 -11.783 1.567 1.00 0.00 C ATOM 207 CE LYS A 13 10.621 -12.613 2.513 1.00 0.00 C ATOM 208 NZ LYS A 13 10.578 -14.063 2.176 1.00 0.00 N ATOM 0 H LYS A 13 11.927 -8.178 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 13 9.659 -9.916 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.965 -9.922 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.713 -9.531 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.884 -11.728 -0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.408 -12.083 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.481 -10.853 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.850 -12.321 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.652 -12.262 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.273 -12.468 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.172 -14.593 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.598 -14.405 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.935 -14.205 1.209 1.00 0.00 H new ATOM 222 N CYS A 14 8.120 -9.111 0.440 1.00 0.00 N ATOM 223 CA CYS A 14 6.998 -8.496 1.141 1.00 0.00 C ATOM 224 C CYS A 14 6.204 -9.562 1.895 1.00 0.00 C ATOM 225 O CYS A 14 5.568 -10.421 1.287 1.00 0.00 O ATOM 226 CB CYS A 14 6.085 -7.741 0.167 1.00 0.00 C ATOM 227 SG CYS A 14 5.291 -8.787 -1.101 1.00 0.00 S ATOM 0 H CYS A 14 8.146 -10.128 0.514 1.00 0.00 H new ATOM 0 HA CYS A 14 7.395 -7.776 1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.308 -7.233 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.669 -6.968 -0.333 1.00 0.00 H new ATOM 232 N VAL A 15 6.260 -9.513 3.222 1.00 0.00 N ATOM 233 CA VAL A 15 5.554 -10.489 4.054 1.00 0.00 C ATOM 234 C VAL A 15 4.147 -10.015 4.403 1.00 0.00 C ATOM 235 O VAL A 15 3.224 -10.821 4.520 1.00 0.00 O ATOM 236 CB VAL A 15 6.319 -10.784 5.360 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.471 -11.743 5.103 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.819 -9.495 5.996 1.00 0.00 C ATOM 0 H VAL A 15 6.784 -8.812 3.746 1.00 0.00 H new ATOM 0 HA VAL A 15 5.489 -11.403 3.464 1.00 0.00 H new ATOM 0 HB VAL A 15 5.630 -11.260 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.998 -11.938 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.082 -12.680 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.160 -11.300 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.356 -9.727 6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.489 -8.984 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.971 -8.849 6.224 1.00 0.00 H new ATOM 248 N TYR A 16 3.988 -8.707 4.577 1.00 0.00 N ATOM 249 CA TYR A 16 2.690 -8.138 4.922 1.00 0.00 C ATOM 250 C TYR A 16 1.821 -7.940 3.681 1.00 0.00 C ATOM 251 O TYR A 16 0.607 -7.764 3.791 1.00 0.00 O ATOM 252 CB TYR A 16 2.867 -6.808 5.659 1.00 0.00 C ATOM 253 CG TYR A 16 2.840 -6.943 7.167 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.302 -8.097 7.792 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.352 -5.916 7.966 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.278 -8.221 9.168 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.326 -6.033 9.343 1.00 0.00 C ATOM 258 CZ TYR A 16 2.790 -7.187 9.939 1.00 0.00 C ATOM 259 OH TYR A 16 2.765 -7.306 11.310 1.00 0.00 O ATOM 0 H TYR A 16 4.739 -8.023 4.485 1.00 0.00 H new ATOM 0 HA TYR A 16 2.183 -8.844 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.814 -6.359 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.078 -6.123 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.686 -8.909 7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.987 -5.011 7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.640 -9.124 9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.944 -5.225 9.949 1.00 0.00 H new ATOM 0 HH TYR A 16 2.393 -6.489 11.703 1.00 0.00 H new ATOM 269 N CYS A 17 2.440 -7.972 2.505 1.00 0.00 N ATOM 270 CA CYS A 17 1.702 -7.801 1.260 1.00 0.00 C ATOM 271 C CYS A 17 0.697 -8.936 1.081 1.00 0.00 C ATOM 272 O CYS A 17 -0.415 -8.729 0.597 1.00 0.00 O ATOM 273 CB CYS A 17 2.661 -7.751 0.064 1.00 0.00 C ATOM 274 SG CYS A 17 3.512 -9.329 -0.277 1.00 0.00 S ATOM 0 H CYS A 17 3.443 -8.114 2.389 1.00 0.00 H new ATOM 0 HA CYS A 17 1.162 -6.856 1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.102 -7.453 -0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.409 -6.979 0.244 1.00 0.00 H new ATOM 279 N ASP A 18 1.104 -10.134 1.488 1.00 0.00 N ATOM 280 CA ASP A 18 0.255 -11.317 1.383 1.00 0.00 C ATOM 281 C ASP A 18 -0.902 -11.260 2.378 1.00 0.00 C ATOM 282 O ASP A 18 -1.955 -11.857 2.152 1.00 0.00 O ATOM 283 CB ASP A 18 1.085 -12.579 1.632 1.00 0.00 C ATOM 284 CG ASP A 18 0.692 -13.719 0.714 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.204 -13.767 -0.424 1.00 0.00 O ATOM 286 OD2 ASP A 18 -0.128 -14.563 1.133 1.00 0.00 O ATOM 0 H ASP A 18 2.022 -10.312 1.896 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.161 -11.343 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.141 -12.350 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.963 -12.892 2.669 1.00 0.00 H new ATOM 291 N ASN A 19 -0.697 -10.552 3.483 1.00 0.00 N ATOM 292 CA ASN A 19 -1.721 -10.430 4.516 1.00 0.00 C ATOM 293 C ASN A 19 -2.844 -9.495 4.078 1.00 0.00 C ATOM 294 O ASN A 19 -4.017 -9.867 4.096 1.00 0.00 O ATOM 295 CB ASN A 19 -1.100 -9.926 5.820 1.00 0.00 C ATOM 296 CG ASN A 19 -0.302 -11.001 6.535 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.811 -11.674 7.432 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.955 -11.166 6.141 1.00 0.00 N ATOM 0 H ASN A 19 0.169 -10.053 3.687 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.149 -11.419 4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.450 -9.077 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.889 -9.565 6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.540 -11.873 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.335 -10.586 5.393 1.00 0.00 H new ATOM 305 N ALA A 20 -2.480 -8.275 3.692 1.00 0.00 N ATOM 306 CA ALA A 20 -3.459 -7.285 3.258 1.00 0.00 C ATOM 307 C ALA A 20 -4.339 -7.830 2.138 1.00 0.00 C ATOM 308 O ALA A 20 -5.560 -7.675 2.162 1.00 0.00 O ATOM 309 CB ALA A 20 -2.756 -6.013 2.807 1.00 0.00 C ATOM 0 H ALA A 20 -1.514 -7.949 3.671 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.103 -7.053 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.498 -5.282 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.178 -5.603 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.088 -6.241 1.977 1.00 0.00 H new ATOM 315 N LYS A 21 -3.711 -8.475 1.162 1.00 0.00 N ATOM 316 CA LYS A 21 -4.437 -9.043 0.031 1.00 0.00 C ATOM 317 C LYS A 21 -5.458 -10.074 0.506 1.00 0.00 C ATOM 318 O LYS A 21 -6.639 -9.992 0.169 1.00 0.00 O ATOM 319 CB LYS A 21 -3.459 -9.690 -0.954 1.00 0.00 C ATOM 320 CG LYS A 21 -4.140 -10.394 -2.119 1.00 0.00 C ATOM 321 CD LYS A 21 -3.741 -9.785 -3.454 1.00 0.00 C ATOM 322 CE LYS A 21 -2.272 -10.024 -3.758 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.666 -8.885 -4.501 1.00 0.00 N ATOM 0 H LYS A 21 -2.702 -8.618 1.130 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.969 -8.236 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.790 -8.923 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.840 -10.409 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.878 -11.452 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.222 -10.332 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.352 -10.214 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.941 -8.714 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.729 -10.179 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.166 -10.937 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.663 -9.087 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.167 -8.753 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.743 -8.018 -3.931 1.00 0.00 H new ATOM 337 N ARG A 22 -4.996 -11.040 1.295 1.00 0.00 N ATOM 338 CA ARG A 22 -5.873 -12.083 1.816 1.00 0.00 C ATOM 339 C ARG A 22 -7.005 -11.469 2.632 1.00 0.00 C ATOM 340 O ARG A 22 -8.162 -11.871 2.512 1.00 0.00 O ATOM 341 CB ARG A 22 -5.083 -13.069 2.678 1.00 0.00 C ATOM 342 CG ARG A 22 -5.794 -14.396 2.888 1.00 0.00 C ATOM 343 CD ARG A 22 -4.987 -15.330 3.773 1.00 0.00 C ATOM 344 NE ARG A 22 -5.181 -15.046 5.192 1.00 0.00 N ATOM 345 CZ ARG A 22 -4.524 -15.666 6.169 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.630 -16.605 5.886 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.761 -15.347 7.434 1.00 0.00 N ATOM 0 H ARG A 22 -4.022 -11.122 1.587 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.301 -12.622 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.116 -13.254 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.886 -12.614 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.770 -14.219 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.971 -14.871 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.274 -16.361 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.929 -15.238 3.527 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.860 -14.330 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.443 -16.855 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.130 -17.077 6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.447 -14.626 7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.257 -15.822 8.183 1.00 0.00 H new ATOM 361 N LEU A 23 -6.660 -10.481 3.451 1.00 0.00 N ATOM 362 CA LEU A 23 -7.643 -9.794 4.280 1.00 0.00 C ATOM 363 C LEU A 23 -8.722 -9.166 3.405 1.00 0.00 C ATOM 364 O LEU A 23 -9.912 -9.421 3.588 1.00 0.00 O ATOM 365 CB LEU A 23 -6.948 -8.720 5.127 1.00 0.00 C ATOM 366 CG LEU A 23 -7.874 -7.687 5.778 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.194 -7.049 6.979 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.279 -6.620 4.771 1.00 0.00 C ATOM 0 H LEU A 23 -5.705 -10.138 3.558 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.116 -10.516 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.377 -9.215 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.232 -8.193 4.497 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.774 -8.199 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.864 -6.318 7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.951 -7.819 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.279 -6.552 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.936 -5.896 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.388 -6.112 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.803 -7.087 3.937 1.00 0.00 H new ATOM 380 N LEU A 24 -8.292 -8.348 2.450 1.00 0.00 N ATOM 381 CA LEU A 24 -9.214 -7.682 1.539 1.00 0.00 C ATOM 382 C LEU A 24 -10.080 -8.701 0.808 1.00 0.00 C ATOM 383 O LEU A 24 -11.302 -8.560 0.744 1.00 0.00 O ATOM 384 CB LEU A 24 -8.438 -6.837 0.529 1.00 0.00 C ATOM 385 CG LEU A 24 -7.856 -5.540 1.090 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.550 -5.197 0.398 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.851 -4.404 0.941 1.00 0.00 C ATOM 0 H LEU A 24 -7.309 -8.131 2.287 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.864 -7.031 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.624 -7.438 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.099 -6.592 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.654 -5.685 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.152 -4.270 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.833 -6.002 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.726 -5.071 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.421 -3.488 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.084 -4.260 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.764 -4.647 1.484 1.00 0.00 H new ATOM 399 N THR A 25 -9.441 -9.733 0.265 1.00 0.00 N ATOM 400 CA THR A 25 -10.158 -10.781 -0.451 1.00 0.00 C ATOM 401 C THR A 25 -11.232 -11.389 0.445 1.00 0.00 C ATOM 402 O THR A 25 -12.344 -11.674 -0.001 1.00 0.00 O ATOM 403 CB THR A 25 -9.189 -11.866 -0.920 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.045 -11.292 -1.525 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.801 -12.827 -1.916 1.00 0.00 C ATOM 0 H THR A 25 -8.430 -9.865 0.307 1.00 0.00 H new ATOM 0 HA THR A 25 -10.636 -10.339 -1.326 1.00 0.00 H new ATOM 0 HB THR A 25 -8.923 -12.421 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.367 -11.113 -0.840 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.059 -13.571 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.657 -13.326 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.129 -12.277 -2.798 1.00 0.00 H new ATOM 413 N VAL A 26 -10.889 -11.569 1.717 1.00 0.00 N ATOM 414 CA VAL A 26 -11.813 -12.129 2.693 1.00 0.00 C ATOM 415 C VAL A 26 -12.850 -11.088 3.110 1.00 0.00 C ATOM 416 O VAL A 26 -13.998 -11.420 3.404 1.00 0.00 O ATOM 417 CB VAL A 26 -11.064 -12.629 3.945 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.031 -13.236 4.950 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.989 -13.633 3.556 1.00 0.00 C ATOM 0 H VAL A 26 -9.972 -11.333 2.096 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.315 -12.974 2.221 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.581 -11.774 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.478 -13.581 5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.759 -12.484 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.550 -14.079 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.470 -13.976 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.450 -14.484 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.275 -13.159 2.882 1.00 0.00 H new ATOM 429 N LYS A 27 -12.431 -9.826 3.125 1.00 0.00 N ATOM 430 CA LYS A 27 -13.316 -8.727 3.495 1.00 0.00 C ATOM 431 C LYS A 27 -14.322 -8.432 2.381 1.00 0.00 C ATOM 432 O LYS A 27 -15.253 -7.650 2.570 1.00 0.00 O ATOM 433 CB LYS A 27 -12.497 -7.469 3.806 1.00 0.00 C ATOM 434 CG LYS A 27 -12.474 -7.102 5.282 1.00 0.00 C ATOM 435 CD LYS A 27 -11.123 -7.403 5.912 1.00 0.00 C ATOM 436 CE LYS A 27 -11.275 -8.025 7.291 1.00 0.00 C ATOM 437 NZ LYS A 27 -11.802 -9.416 7.219 1.00 0.00 N ATOM 0 H LYS A 27 -11.482 -9.539 2.885 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.869 -9.024 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.474 -7.619 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.904 -6.632 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.702 -6.042 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.253 -7.655 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.563 -8.080 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.544 -6.483 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.309 -8.029 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.947 -7.413 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.640 -9.896 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.822 -9.391 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.313 -9.934 6.461 1.00 0.00 H new ATOM 451 N LYS A 28 -14.122 -9.054 1.218 1.00 0.00 N ATOM 452 CA LYS A 28 -15.004 -8.852 0.072 1.00 0.00 C ATOM 453 C LYS A 28 -14.853 -7.437 -0.480 1.00 0.00 C ATOM 454 O LYS A 28 -15.836 -6.780 -0.819 1.00 0.00 O ATOM 455 CB LYS A 28 -16.465 -9.120 0.457 1.00 0.00 C ATOM 456 CG LYS A 28 -16.957 -10.497 0.042 1.00 0.00 C ATOM 457 CD LYS A 28 -16.787 -11.510 1.163 1.00 0.00 C ATOM 458 CE LYS A 28 -17.000 -12.931 0.667 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.262 -13.063 -0.114 1.00 0.00 N ATOM 0 H LYS A 28 -13.354 -9.703 1.047 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.717 -9.560 -0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.574 -9.014 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.099 -8.362 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.008 -10.439 -0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.408 -10.831 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.788 -11.418 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.496 -11.292 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.156 -13.229 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.026 -13.612 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.485 -14.070 -0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.039 -12.601 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.144 -12.610 -1.043 1.00 0.00 H new ATOM 473 N GLN A 29 -13.609 -6.978 -0.567 1.00 0.00 N ATOM 474 CA GLN A 29 -13.322 -5.645 -1.075 1.00 0.00 C ATOM 475 C GLN A 29 -12.277 -5.699 -2.186 1.00 0.00 C ATOM 476 O GLN A 29 -11.238 -6.342 -2.037 1.00 0.00 O ATOM 477 CB GLN A 29 -12.825 -4.743 0.057 1.00 0.00 C ATOM 478 CG GLN A 29 -13.947 -4.102 0.858 1.00 0.00 C ATOM 479 CD GLN A 29 -14.473 -2.835 0.212 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.823 -1.790 0.249 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.656 -2.922 -0.383 1.00 0.00 N ATOM 0 H GLN A 29 -12.784 -7.511 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.245 -5.234 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.198 -5.329 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.195 -3.959 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.764 -4.816 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.587 -3.872 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.160 -3.809 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.062 -2.102 -0.834 1.00 0.00 H new ATOM 490 N PRO A 30 -12.527 -5.011 -3.315 1.00 0.00 N ATOM 491 CA PRO A 30 -11.591 -4.978 -4.438 1.00 0.00 C ATOM 492 C PRO A 30 -10.466 -3.989 -4.187 1.00 0.00 C ATOM 493 O PRO A 30 -10.639 -3.034 -3.434 1.00 0.00 O ATOM 494 CB PRO A 30 -12.467 -4.489 -5.585 1.00 0.00 C ATOM 495 CG PRO A 30 -13.411 -3.555 -4.917 1.00 0.00 C ATOM 496 CD PRO A 30 -13.730 -4.194 -3.589 1.00 0.00 C ATOM 0 HA PRO A 30 -11.111 -5.939 -4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.880 -3.987 -6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.991 -5.312 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.962 -2.571 -4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.313 -3.415 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.897 -3.448 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.630 -4.806 -3.642 1.00 0.00 H new ATOM 504 N PHE A 31 -9.318 -4.213 -4.811 1.00 0.00 N ATOM 505 CA PHE A 31 -8.179 -3.322 -4.636 1.00 0.00 C ATOM 506 C PHE A 31 -7.158 -3.496 -5.755 1.00 0.00 C ATOM 507 O PHE A 31 -7.258 -4.423 -6.559 1.00 0.00 O ATOM 508 CB PHE A 31 -7.518 -3.570 -3.294 1.00 0.00 C ATOM 509 CG PHE A 31 -7.048 -4.978 -3.151 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.967 -6.004 -3.063 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.700 -5.279 -3.127 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.552 -7.313 -2.953 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.275 -6.586 -3.014 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.202 -7.608 -2.927 1.00 0.00 C ATOM 0 H PHE A 31 -9.151 -4.999 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.551 -2.298 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.672 -2.892 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.223 -3.341 -2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.023 -5.778 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.973 -4.484 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.281 -8.108 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.219 -6.811 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.873 -8.633 -2.839 1.00 0.00 H new ATOM 524 N GLU A 32 -6.166 -2.608 -5.794 1.00 0.00 N ATOM 525 CA GLU A 32 -5.125 -2.679 -6.810 1.00 0.00 C ATOM 526 C GLU A 32 -3.755 -2.420 -6.198 1.00 0.00 C ATOM 527 O GLU A 32 -3.518 -1.370 -5.599 1.00 0.00 O ATOM 528 CB GLU A 32 -5.394 -1.671 -7.928 1.00 0.00 C ATOM 529 CG GLU A 32 -4.586 -1.932 -9.189 1.00 0.00 C ATOM 530 CD GLU A 32 -5.335 -1.555 -10.453 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.548 -1.277 -10.366 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.706 -1.539 -11.532 1.00 0.00 O ATOM 0 H GLU A 32 -6.064 -1.835 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.135 -3.684 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.455 -1.690 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.170 -0.668 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.654 -1.368 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.318 -2.988 -9.232 1.00 0.00 H new ATOM 539 N PHE A 33 -2.858 -3.388 -6.348 1.00 0.00 N ATOM 540 CA PHE A 33 -1.515 -3.278 -5.816 1.00 0.00 C ATOM 541 C PHE A 33 -0.590 -2.629 -6.837 1.00 0.00 C ATOM 542 O PHE A 33 -0.867 -2.644 -8.036 1.00 0.00 O ATOM 543 CB PHE A 33 -1.000 -4.665 -5.449 1.00 0.00 C ATOM 544 CG PHE A 33 0.226 -4.635 -4.596 1.00 0.00 C ATOM 545 CD1 PHE A 33 1.479 -4.605 -5.174 1.00 0.00 C ATOM 546 CD2 PHE A 33 0.121 -4.633 -3.220 1.00 0.00 C ATOM 547 CE1 PHE A 33 2.615 -4.575 -4.389 1.00 0.00 C ATOM 548 CE2 PHE A 33 1.252 -4.604 -2.428 1.00 0.00 C ATOM 549 CZ PHE A 33 2.501 -4.574 -3.015 1.00 0.00 C ATOM 0 H PHE A 33 -3.044 -4.263 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.535 -2.652 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.785 -5.209 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.784 -5.218 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.572 -4.605 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.855 -4.654 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.591 -4.552 -4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.159 -4.605 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.388 -4.550 -2.399 1.00 0.00 H new ATOM 559 N ILE A 34 0.510 -2.060 -6.359 1.00 0.00 N ATOM 560 CA ILE A 34 1.474 -1.409 -7.235 1.00 0.00 C ATOM 561 C ILE A 34 2.893 -1.625 -6.740 1.00 0.00 C ATOM 562 O ILE A 34 3.248 -1.235 -5.628 1.00 0.00 O ATOM 563 CB ILE A 34 1.222 0.101 -7.346 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.260 0.382 -7.599 1.00 0.00 C ATOM 565 CG2 ILE A 34 2.078 0.700 -8.450 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.635 1.839 -7.438 1.00 0.00 C ATOM 0 H ILE A 34 0.756 -2.037 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 34 1.349 -1.863 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 34 1.500 0.569 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.516 0.059 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.858 -0.217 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.888 1.771 -8.517 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.131 0.531 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.829 0.228 -9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.700 1.964 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.411 2.162 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.064 2.442 -8.144 1.00 0.00 H new ATOM 578 N ASN A 35 3.699 -2.241 -7.584 1.00 0.00 N ATOM 579 CA ASN A 35 5.093 -2.512 -7.261 1.00 0.00 C ATOM 580 C ASN A 35 5.948 -1.291 -7.570 1.00 0.00 C ATOM 581 O ASN A 35 6.160 -0.950 -8.733 1.00 0.00 O ATOM 582 CB ASN A 35 5.597 -3.718 -8.059 1.00 0.00 C ATOM 583 CG ASN A 35 5.413 -3.537 -9.553 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.789 -2.576 -10.003 1.00 0.00 O ATOM 585 ND2 ASN A 35 5.957 -4.466 -10.331 1.00 0.00 N ATOM 0 H ASN A 35 3.412 -2.567 -8.507 1.00 0.00 H new ATOM 0 HA ASN A 35 5.168 -2.738 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.653 -3.879 -7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.065 -4.613 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.866 -4.400 -11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.466 -5.246 -9.915 1.00 0.00 H new ATOM 592 N ILE A 36 6.431 -0.630 -6.525 1.00 0.00 N ATOM 593 CA ILE A 36 7.253 0.563 -6.694 1.00 0.00 C ATOM 594 C ILE A 36 8.738 0.239 -6.598 1.00 0.00 C ATOM 595 O ILE A 36 9.426 0.680 -5.677 1.00 0.00 O ATOM 596 CB ILE A 36 6.899 1.642 -5.657 1.00 0.00 C ATOM 597 CG1 ILE A 36 6.777 1.027 -4.263 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.606 2.337 -6.053 1.00 0.00 C ATOM 599 CD1 ILE A 36 6.667 2.051 -3.156 1.00 0.00 C ATOM 0 H ILE A 36 6.269 -0.898 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 36 7.041 0.948 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 36 7.699 2.382 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.900 0.380 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.645 0.395 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.362 3.100 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.729 2.805 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.799 1.606 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.584 1.541 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.555 2.683 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.783 2.668 -3.317 1.00 0.00 H new ATOM 611 N MET A 37 9.229 -0.517 -7.567 1.00 0.00 N ATOM 612 CA MET A 37 10.636 -0.887 -7.602 1.00 0.00 C ATOM 613 C MET A 37 11.059 -1.333 -8.995 1.00 0.00 C ATOM 614 O MET A 37 11.277 -2.521 -9.236 1.00 0.00 O ATOM 615 CB MET A 37 10.942 -1.996 -6.592 1.00 0.00 C ATOM 616 CG MET A 37 12.432 -2.171 -6.327 1.00 0.00 C ATOM 617 SD MET A 37 13.119 -0.854 -5.306 1.00 0.00 S ATOM 618 CE MET A 37 13.083 -1.617 -3.687 1.00 0.00 C ATOM 0 H MET A 37 8.675 -0.887 -8.340 1.00 0.00 H new ATOM 0 HA MET A 37 11.206 0.002 -7.333 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.436 -1.773 -5.653 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.532 -2.937 -6.959 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.599 -3.130 -5.836 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.964 -2.203 -7.278 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.652 -1.007 -2.985 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.051 -1.697 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.524 -2.612 -3.744 1.00 0.00 H new ATOM 628 N PRO A 38 11.192 -0.386 -9.937 1.00 0.00 N ATOM 629 CA PRO A 38 11.611 -0.701 -11.304 1.00 0.00 C ATOM 630 C PRO A 38 12.990 -1.350 -11.313 1.00 0.00 C ATOM 631 O PRO A 38 13.354 -2.060 -12.250 1.00 0.00 O ATOM 632 CB PRO A 38 11.651 0.664 -12.002 1.00 0.00 C ATOM 633 CG PRO A 38 10.818 1.563 -11.151 1.00 0.00 C ATOM 634 CD PRO A 38 10.966 1.055 -9.745 1.00 0.00 C ATOM 0 HA PRO A 38 10.941 -1.407 -11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.673 1.035 -12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.253 0.600 -13.015 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.154 2.597 -11.230 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.775 1.542 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.801 1.530 -9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.073 1.248 -9.150 1.00 0.00 H new ATOM 642 N GLU A 39 13.746 -1.101 -10.246 1.00 0.00 N ATOM 643 CA GLU A 39 15.082 -1.652 -10.095 1.00 0.00 C ATOM 644 C GLU A 39 15.412 -1.825 -8.617 1.00 0.00 C ATOM 645 O GLU A 39 14.889 -1.104 -7.770 1.00 0.00 O ATOM 646 CB GLU A 39 16.115 -0.739 -10.761 1.00 0.00 C ATOM 647 CG GLU A 39 17.430 -1.435 -11.074 1.00 0.00 C ATOM 648 CD GLU A 39 18.293 -0.644 -12.039 1.00 0.00 C ATOM 649 OE1 GLU A 39 18.667 0.499 -11.701 1.00 0.00 O ATOM 650 OE2 GLU A 39 18.595 -1.168 -13.132 1.00 0.00 O ATOM 0 H GLU A 39 13.447 -0.514 -9.467 1.00 0.00 H new ATOM 0 HA GLU A 39 15.114 -2.627 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.695 -0.342 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.310 0.112 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.981 -1.596 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 39 17.225 -2.418 -11.498 1.00 0.00 H new ATOM 657 N LYS A 40 16.287 -2.780 -8.311 1.00 0.00 N ATOM 658 CA LYS A 40 16.682 -3.033 -6.926 1.00 0.00 C ATOM 659 C LYS A 40 17.412 -1.842 -6.325 1.00 0.00 C ATOM 660 O LYS A 40 17.707 -1.808 -5.130 1.00 0.00 O ATOM 661 CB LYS A 40 17.546 -4.291 -6.824 1.00 0.00 C ATOM 662 CG LYS A 40 16.945 -5.504 -7.517 1.00 0.00 C ATOM 663 CD LYS A 40 18.026 -6.445 -8.021 1.00 0.00 C ATOM 664 CE LYS A 40 17.618 -7.116 -9.322 1.00 0.00 C ATOM 665 NZ LYS A 40 18.796 -7.628 -10.076 1.00 0.00 N ATOM 0 H LYS A 40 16.734 -3.388 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 40 15.768 -3.191 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 18.525 -4.085 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.706 -4.527 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.292 -6.035 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.325 -5.178 -8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.952 -5.890 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.229 -7.205 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.938 -7.940 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.072 -6.405 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.475 -8.078 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.433 -6.838 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.303 -8.326 -9.495 1.00 0.00 H new ATOM 679 N GLY A 41 17.697 -0.880 -7.169 1.00 0.00 N ATOM 680 CA GLY A 41 18.395 0.317 -6.744 1.00 0.00 C ATOM 681 C GLY A 41 17.482 1.330 -6.081 1.00 0.00 C ATOM 682 O GLY A 41 17.733 1.752 -4.953 1.00 0.00 O ATOM 0 H GLY A 41 17.456 -0.900 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.188 0.041 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.874 0.778 -7.608 1.00 0.00 H new ATOM 686 N VAL A 42 16.421 1.727 -6.780 1.00 0.00 N ATOM 687 CA VAL A 42 15.491 2.708 -6.235 1.00 0.00 C ATOM 688 C VAL A 42 14.066 2.500 -6.738 1.00 0.00 C ATOM 689 O VAL A 42 13.847 2.077 -7.873 1.00 0.00 O ATOM 690 CB VAL A 42 15.934 4.143 -6.582 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.074 5.160 -5.847 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.405 4.340 -6.254 1.00 0.00 C ATOM 0 H VAL A 42 16.187 1.388 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 42 15.501 2.567 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 42 15.801 4.297 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.402 6.167 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.031 5.032 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.172 5.010 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.701 5.359 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.567 4.167 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.004 3.636 -6.831 1.00 0.00 H new ATOM 702 N PHE A 43 13.101 2.818 -5.878 1.00 0.00 N ATOM 703 CA PHE A 43 11.684 2.690 -6.215 1.00 0.00 C ATOM 704 C PHE A 43 11.326 3.554 -7.424 1.00 0.00 C ATOM 705 O PHE A 43 12.123 4.382 -7.866 1.00 0.00 O ATOM 706 CB PHE A 43 10.816 3.113 -5.027 1.00 0.00 C ATOM 707 CG PHE A 43 11.308 2.623 -3.694 1.00 0.00 C ATOM 708 CD1 PHE A 43 11.428 1.266 -3.437 1.00 0.00 C ATOM 709 CD2 PHE A 43 11.642 3.522 -2.695 1.00 0.00 C ATOM 710 CE1 PHE A 43 11.874 0.819 -2.207 1.00 0.00 C ATOM 711 CE2 PHE A 43 12.089 3.081 -1.466 1.00 0.00 C ATOM 712 CZ PHE A 43 12.205 1.728 -1.221 1.00 0.00 C ATOM 0 H PHE A 43 13.276 3.169 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 43 11.495 1.644 -6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.760 4.201 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.802 2.745 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.171 0.551 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.551 4.582 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.964 -0.240 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.348 3.794 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.554 1.380 -0.260 1.00 0.00 H new ATOM 722 N ASP A 44 10.113 3.368 -7.942 1.00 0.00 N ATOM 723 CA ASP A 44 9.639 4.138 -9.088 1.00 0.00 C ATOM 724 C ASP A 44 9.207 5.538 -8.656 1.00 0.00 C ATOM 725 O ASP A 44 8.179 5.706 -8.000 1.00 0.00 O ATOM 726 CB ASP A 44 8.466 3.423 -9.764 1.00 0.00 C ATOM 727 CG ASP A 44 8.433 3.651 -11.264 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.843 4.744 -11.707 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.996 2.737 -11.994 1.00 0.00 O ATOM 0 H ASP A 44 9.441 2.689 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 44 10.461 4.226 -9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.532 2.354 -9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.531 3.772 -9.326 1.00 0.00 H new ATOM 734 N ASP A 45 9.999 6.539 -9.024 1.00 0.00 N ATOM 735 CA ASP A 45 9.703 7.925 -8.671 1.00 0.00 C ATOM 736 C ASP A 45 8.305 8.340 -9.131 1.00 0.00 C ATOM 737 O ASP A 45 7.711 9.265 -8.578 1.00 0.00 O ATOM 738 CB ASP A 45 10.747 8.860 -9.282 1.00 0.00 C ATOM 739 CG ASP A 45 12.122 8.667 -8.672 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.409 7.548 -8.198 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.912 9.634 -8.670 1.00 0.00 O ATOM 0 H ASP A 45 10.853 6.417 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 45 9.736 8.001 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.802 8.687 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.432 9.894 -9.141 1.00 0.00 H new ATOM 746 N GLU A 46 7.788 7.659 -10.149 1.00 0.00 N ATOM 747 CA GLU A 46 6.464 7.969 -10.679 1.00 0.00 C ATOM 748 C GLU A 46 5.375 7.698 -9.645 1.00 0.00 C ATOM 749 O GLU A 46 4.589 8.586 -9.308 1.00 0.00 O ATOM 750 CB GLU A 46 6.195 7.153 -11.944 1.00 0.00 C ATOM 751 CG GLU A 46 7.281 7.286 -12.998 1.00 0.00 C ATOM 752 CD GLU A 46 6.798 6.910 -14.385 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.003 5.952 -14.497 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.214 7.571 -15.359 1.00 0.00 O ATOM 0 H GLU A 46 8.264 6.891 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 46 6.444 9.031 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.091 6.102 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.244 7.467 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.646 8.313 -13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.125 6.651 -12.727 1.00 0.00 H new ATOM 761 N LYS A 47 5.329 6.467 -9.147 1.00 0.00 N ATOM 762 CA LYS A 47 4.332 6.084 -8.155 1.00 0.00 C ATOM 763 C LYS A 47 4.556 6.819 -6.837 1.00 0.00 C ATOM 764 O LYS A 47 3.603 7.156 -6.135 1.00 0.00 O ATOM 765 CB LYS A 47 4.364 4.573 -7.922 1.00 0.00 C ATOM 766 CG LYS A 47 3.649 3.777 -9.000 1.00 0.00 C ATOM 767 CD LYS A 47 4.619 3.266 -10.053 1.00 0.00 C ATOM 768 CE LYS A 47 3.999 3.294 -11.440 1.00 0.00 C ATOM 769 NZ LYS A 47 3.219 2.058 -11.726 1.00 0.00 N ATOM 0 H LYS A 47 5.969 5.719 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 47 3.352 6.364 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.402 4.244 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.908 4.353 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.127 2.935 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.893 4.403 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.522 3.876 -10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.920 2.247 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.347 4.163 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.785 3.408 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.813 2.117 -12.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.846 1.230 -11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.453 1.962 -11.029 1.00 0.00 H new ATOM 783 N ILE A 48 5.818 7.065 -6.507 1.00 0.00 N ATOM 784 CA ILE A 48 6.158 7.763 -5.274 1.00 0.00 C ATOM 785 C ILE A 48 5.836 9.251 -5.394 1.00 0.00 C ATOM 786 O ILE A 48 5.487 9.901 -4.408 1.00 0.00 O ATOM 787 CB ILE A 48 7.653 7.573 -4.914 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.865 6.230 -4.213 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.159 8.711 -4.034 1.00 0.00 C ATOM 790 CD1 ILE A 48 7.331 5.047 -4.991 1.00 0.00 C ATOM 0 H ILE A 48 6.621 6.792 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 48 5.556 7.332 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 48 8.225 7.583 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.931 6.086 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.382 6.260 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.211 8.549 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.047 9.657 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.581 8.741 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.517 4.130 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.259 5.167 -5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.832 4.991 -5.957 1.00 0.00 H new ATOM 802 N ALA A 49 5.949 9.784 -6.608 1.00 0.00 N ATOM 803 CA ALA A 49 5.663 11.192 -6.850 1.00 0.00 C ATOM 804 C ALA A 49 4.223 11.511 -6.471 1.00 0.00 C ATOM 805 O ALA A 49 3.963 12.404 -5.661 1.00 0.00 O ATOM 806 CB ALA A 49 5.919 11.543 -8.308 1.00 0.00 C ATOM 0 H ALA A 49 6.236 9.262 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 49 6.327 11.793 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.701 12.598 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.963 11.346 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.277 10.936 -8.946 1.00 0.00 H new ATOM 812 N GLU A 50 3.291 10.766 -7.052 1.00 0.00 N ATOM 813 CA GLU A 50 1.877 10.956 -6.765 1.00 0.00 C ATOM 814 C GLU A 50 1.597 10.657 -5.296 1.00 0.00 C ATOM 815 O GLU A 50 0.731 11.277 -4.679 1.00 0.00 O ATOM 816 CB GLU A 50 1.026 10.051 -7.664 1.00 0.00 C ATOM 817 CG GLU A 50 -0.421 9.916 -7.213 1.00 0.00 C ATOM 818 CD GLU A 50 -1.410 10.167 -8.335 1.00 0.00 C ATOM 819 OE1 GLU A 50 -1.087 9.836 -9.495 1.00 0.00 O ATOM 820 OE2 GLU A 50 -2.506 10.696 -8.054 1.00 0.00 O ATOM 0 H GLU A 50 3.490 10.025 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 50 1.613 11.994 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.044 10.445 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.479 9.060 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.580 8.915 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.612 10.619 -6.402 1.00 0.00 H new ATOM 827 N LEU A 51 2.341 9.704 -4.743 1.00 0.00 N ATOM 828 CA LEU A 51 2.181 9.318 -3.353 1.00 0.00 C ATOM 829 C LEU A 51 2.421 10.517 -2.440 1.00 0.00 C ATOM 830 O LEU A 51 1.594 10.836 -1.587 1.00 0.00 O ATOM 831 CB LEU A 51 3.152 8.185 -3.013 1.00 0.00 C ATOM 832 CG LEU A 51 2.773 7.344 -1.799 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.711 6.155 -1.659 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.791 8.178 -0.538 1.00 0.00 C ATOM 0 H LEU A 51 3.063 9.185 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 51 1.161 8.966 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.234 7.527 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.140 8.614 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 51 1.759 6.973 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.425 5.567 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.647 5.534 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.734 6.511 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.517 7.556 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.791 8.584 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.078 8.997 -0.633 1.00 0.00 H new ATOM 846 N LEU A 52 3.555 11.189 -2.635 1.00 0.00 N ATOM 847 CA LEU A 52 3.899 12.356 -1.844 1.00 0.00 C ATOM 848 C LEU A 52 2.775 13.383 -1.852 1.00 0.00 C ATOM 849 O LEU A 52 2.414 13.936 -0.813 1.00 0.00 O ATOM 850 CB LEU A 52 5.165 12.957 -2.383 1.00 0.00 C ATOM 851 CG LEU A 52 6.372 12.066 -2.175 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.572 12.727 -2.763 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.582 11.777 -0.699 1.00 0.00 C ATOM 0 H LEU A 52 4.250 10.939 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 52 4.049 12.048 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.044 13.154 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.341 13.918 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 52 6.206 11.111 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.446 12.092 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.413 12.887 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.736 13.687 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.454 11.135 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.741 12.713 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.702 11.275 -0.298 1.00 0.00 H new ATOM 865 N THR A 53 2.219 13.623 -3.035 1.00 0.00 N ATOM 866 CA THR A 53 1.127 14.576 -3.188 1.00 0.00 C ATOM 867 C THR A 53 -0.053 14.186 -2.303 1.00 0.00 C ATOM 868 O THR A 53 -0.592 15.012 -1.568 1.00 0.00 O ATOM 869 CB THR A 53 0.682 14.646 -4.649 1.00 0.00 C ATOM 870 OG1 THR A 53 1.786 14.902 -5.499 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.354 15.719 -4.908 1.00 0.00 C ATOM 0 H THR A 53 2.507 13.170 -3.902 1.00 0.00 H new ATOM 0 HA THR A 53 1.485 15.558 -2.880 1.00 0.00 H new ATOM 0 HB THR A 53 0.237 13.674 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.480 14.941 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.626 15.715 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.240 15.523 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.057 16.693 -4.643 1.00 0.00 H new ATOM 879 N LYS A 54 -0.442 12.915 -2.374 1.00 0.00 N ATOM 880 CA LYS A 54 -1.552 12.408 -1.576 1.00 0.00 C ATOM 881 C LYS A 54 -1.278 12.605 -0.088 1.00 0.00 C ATOM 882 O LYS A 54 -2.180 12.939 0.680 1.00 0.00 O ATOM 883 CB LYS A 54 -1.789 10.926 -1.877 1.00 0.00 C ATOM 884 CG LYS A 54 -1.971 10.629 -3.358 1.00 0.00 C ATOM 885 CD LYS A 54 -3.143 9.692 -3.600 1.00 0.00 C ATOM 886 CE LYS A 54 -2.842 8.698 -4.711 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.001 8.526 -5.631 1.00 0.00 N ATOM 0 H LYS A 54 -0.004 12.218 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.449 12.969 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.946 10.347 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.674 10.590 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.132 11.561 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.059 10.183 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.375 9.153 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.027 10.274 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.976 9.039 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.579 7.734 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.756 7.841 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.821 8.177 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.237 9.440 -6.067 1.00 0.00 H new ATOM 901 N LEU A 55 -0.026 12.400 0.308 1.00 0.00 N ATOM 902 CA LEU A 55 0.373 12.561 1.701 1.00 0.00 C ATOM 903 C LEU A 55 0.111 13.986 2.176 1.00 0.00 C ATOM 904 O LEU A 55 -0.594 14.205 3.161 1.00 0.00 O ATOM 905 CB LEU A 55 1.856 12.220 1.869 1.00 0.00 C ATOM 906 CG LEU A 55 2.216 10.732 1.740 1.00 0.00 C ATOM 907 CD1 LEU A 55 3.293 10.366 2.740 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.995 9.846 1.946 1.00 0.00 C ATOM 0 H LEU A 55 0.730 12.122 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.221 11.878 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.425 12.778 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.182 12.570 2.848 1.00 0.00 H new ATOM 0 HG LEU A 55 2.590 10.565 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.539 9.309 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.183 10.966 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.932 10.559 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.284 8.800 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.585 10.018 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.241 10.086 1.196 1.00 0.00 H new ATOM 920 N GLY A 56 0.682 14.952 1.463 1.00 0.00 N ATOM 921 CA GLY A 56 0.505 16.348 1.819 1.00 0.00 C ATOM 922 C GLY A 56 1.394 17.263 0.999 1.00 0.00 C ATOM 923 O GLY A 56 1.247 17.355 -0.220 1.00 0.00 O ATOM 0 H GLY A 56 1.266 14.792 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.538 16.630 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.726 16.482 2.878 1.00 0.00 H new ATOM 927 N ARG A 57 2.324 17.937 1.667 1.00 0.00 N ATOM 928 CA ARG A 57 3.248 18.842 0.994 1.00 0.00 C ATOM 929 C ARG A 57 4.575 18.906 1.738 1.00 0.00 C ATOM 930 O ARG A 57 5.258 19.931 1.733 1.00 0.00 O ATOM 931 CB ARG A 57 2.640 20.241 0.876 1.00 0.00 C ATOM 932 CG ARG A 57 3.294 21.101 -0.193 1.00 0.00 C ATOM 933 CD ARG A 57 2.710 22.505 -0.219 1.00 0.00 C ATOM 934 NE ARG A 57 2.561 23.064 1.124 1.00 0.00 N ATOM 935 CZ ARG A 57 1.481 22.898 1.885 1.00 0.00 C ATOM 936 NH1 ARG A 57 0.449 22.187 1.445 1.00 0.00 N ATOM 937 NH2 ARG A 57 1.433 23.445 3.092 1.00 0.00 N ATOM 0 H ARG A 57 2.458 17.873 2.676 1.00 0.00 H new ATOM 0 HA ARG A 57 3.431 18.456 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.577 20.148 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.723 20.746 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.367 21.156 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.161 20.633 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.354 23.154 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.738 22.484 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 57 3.332 23.615 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.480 21.763 0.518 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.374 22.065 2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.222 23.992 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.607 23.319 3.677 1.00 0.00 H new ATOM 951 N ASP A 58 4.931 17.798 2.374 1.00 0.00 N ATOM 952 CA ASP A 58 6.175 17.705 3.129 1.00 0.00 C ATOM 953 C ASP A 58 7.051 16.578 2.574 1.00 0.00 C ATOM 954 O ASP A 58 7.081 16.346 1.365 1.00 0.00 O ATOM 955 CB ASP A 58 5.865 17.477 4.613 1.00 0.00 C ATOM 956 CG ASP A 58 4.769 18.391 5.126 1.00 0.00 C ATOM 957 OD1 ASP A 58 4.450 19.382 4.435 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.229 18.116 6.218 1.00 0.00 O ATOM 0 H ASP A 58 4.372 16.945 2.382 1.00 0.00 H new ATOM 0 HA ASP A 58 6.726 18.640 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.568 16.439 4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.770 17.637 5.198 1.00 0.00 H new ATOM 963 N THR A 59 7.760 15.878 3.456 1.00 0.00 N ATOM 964 CA THR A 59 8.626 14.780 3.044 1.00 0.00 C ATOM 965 C THR A 59 8.190 13.474 3.702 1.00 0.00 C ATOM 966 O THR A 59 7.346 13.473 4.597 1.00 0.00 O ATOM 967 CB THR A 59 10.081 15.085 3.405 1.00 0.00 C ATOM 968 OG1 THR A 59 10.912 13.973 3.123 1.00 0.00 O ATOM 969 CG2 THR A 59 10.274 15.445 4.862 1.00 0.00 C ATOM 0 H THR A 59 7.751 16.053 4.461 1.00 0.00 H new ATOM 0 HA THR A 59 8.545 14.670 1.963 1.00 0.00 H new ATOM 0 HB THR A 59 10.354 15.947 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.838 14.189 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.328 15.649 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.685 16.331 5.099 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.948 14.614 5.488 1.00 0.00 H new ATOM 977 N GLN A 60 8.771 12.366 3.256 1.00 0.00 N ATOM 978 CA GLN A 60 8.442 11.061 3.804 1.00 0.00 C ATOM 979 C GLN A 60 9.130 10.853 5.142 1.00 0.00 C ATOM 980 O GLN A 60 10.304 10.490 5.207 1.00 0.00 O ATOM 981 CB GLN A 60 8.849 9.954 2.834 1.00 0.00 C ATOM 982 CG GLN A 60 8.115 10.013 1.505 1.00 0.00 C ATOM 983 CD GLN A 60 6.961 9.034 1.433 1.00 0.00 C ATOM 984 OE1 GLN A 60 5.817 9.382 1.727 1.00 0.00 O ATOM 985 NE2 GLN A 60 7.255 7.799 1.042 1.00 0.00 N ATOM 0 H GLN A 60 9.472 12.348 2.516 1.00 0.00 H new ATOM 0 HA GLN A 60 7.363 11.020 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.922 10.018 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.663 8.987 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.740 11.024 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.816 9.803 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.217 7.554 0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.519 7.096 0.976 1.00 0.00 H new ATOM 994 N ILE A 61 8.380 11.086 6.202 1.00 0.00 N ATOM 995 CA ILE A 61 8.890 10.931 7.560 1.00 0.00 C ATOM 996 C ILE A 61 8.886 9.468 7.984 1.00 0.00 C ATOM 997 O ILE A 61 7.949 9.002 8.633 1.00 0.00 O ATOM 998 CB ILE A 61 8.059 11.748 8.569 1.00 0.00 C ATOM 999 CG1 ILE A 61 7.880 13.185 8.074 1.00 0.00 C ATOM 1000 CG2 ILE A 61 8.723 11.730 9.938 1.00 0.00 C ATOM 1001 CD1 ILE A 61 6.498 13.466 7.524 1.00 0.00 C ATOM 0 H ILE A 61 7.406 11.386 6.152 1.00 0.00 H new ATOM 0 HA ILE A 61 9.914 11.304 7.558 1.00 0.00 H new ATOM 0 HB ILE A 61 7.073 11.292 8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.082 13.872 8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.619 13.389 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.125 12.311 10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.800 10.702 10.291 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.720 12.164 9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.442 14.503 7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.300 12.804 6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.755 13.294 8.303 1.00 0.00 H new ATOM 1013 N GLY A 62 9.939 8.748 7.615 1.00 0.00 N ATOM 1014 CA GLY A 62 10.037 7.346 7.967 1.00 0.00 C ATOM 1015 C GLY A 62 8.921 6.518 7.362 1.00 0.00 C ATOM 1016 O GLY A 62 8.562 5.466 7.891 1.00 0.00 O ATOM 0 H GLY A 62 10.726 9.111 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.998 6.956 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.014 7.244 9.052 1.00 0.00 H new ATOM 1020 N LEU A 63 8.367 6.995 6.250 1.00 0.00 N ATOM 1021 CA LEU A 63 7.285 6.292 5.569 1.00 0.00 C ATOM 1022 C LEU A 63 7.669 4.842 5.290 1.00 0.00 C ATOM 1023 O LEU A 63 8.776 4.558 4.832 1.00 0.00 O ATOM 1024 CB LEU A 63 6.934 7.003 4.260 1.00 0.00 C ATOM 1025 CG LEU A 63 5.448 6.998 3.898 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.887 5.588 3.970 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.673 7.930 4.817 1.00 0.00 C ATOM 0 H LEU A 63 8.650 7.866 5.802 1.00 0.00 H new ATOM 0 HA LEU A 63 6.412 6.297 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.273 8.037 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.491 6.534 3.449 1.00 0.00 H new ATOM 0 HG LEU A 63 5.341 7.358 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.829 5.604 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.423 4.947 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.006 5.200 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.618 7.914 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.787 7.600 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.059 8.944 4.716 1.00 0.00 H new ATOM 1039 N THR A 64 6.748 3.926 5.573 1.00 0.00 N ATOM 1040 CA THR A 64 6.995 2.506 5.359 1.00 0.00 C ATOM 1041 C THR A 64 6.032 1.922 4.331 1.00 0.00 C ATOM 1042 O THR A 64 5.005 2.521 4.009 1.00 0.00 O ATOM 1043 CB THR A 64 6.874 1.744 6.679 1.00 0.00 C ATOM 1044 OG1 THR A 64 7.282 2.554 7.767 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.698 0.476 6.715 1.00 0.00 C ATOM 0 H THR A 64 5.825 4.142 5.950 1.00 0.00 H new ATOM 0 HA THR A 64 8.008 2.399 4.972 1.00 0.00 H new ATOM 0 HB THR A 64 5.821 1.476 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.195 2.048 8.602 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.567 -0.016 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.371 -0.193 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.750 0.722 6.573 1.00 0.00 H new ATOM 1053 N MET A 65 6.372 0.742 3.824 1.00 0.00 N ATOM 1054 CA MET A 65 5.546 0.062 2.838 1.00 0.00 C ATOM 1055 C MET A 65 4.992 -1.239 3.406 1.00 0.00 C ATOM 1056 O MET A 65 5.571 -1.822 4.322 1.00 0.00 O ATOM 1057 CB MET A 65 6.354 -0.221 1.571 1.00 0.00 C ATOM 1058 CG MET A 65 6.488 0.982 0.653 1.00 0.00 C ATOM 1059 SD MET A 65 7.623 2.226 1.299 1.00 0.00 S ATOM 1060 CE MET A 65 8.564 2.621 -0.173 1.00 0.00 C ATOM 0 H MET A 65 7.219 0.236 4.083 1.00 0.00 H new ATOM 0 HA MET A 65 4.710 0.714 2.585 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.349 -0.564 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.880 -1.035 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.837 0.651 -0.325 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.507 1.433 0.506 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.574 2.919 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.612 1.745 -0.820 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.080 3.439 -0.706 1.00 0.00 H new ATOM 1070 N PRO A 66 3.852 -1.710 2.876 1.00 0.00 N ATOM 1071 CA PRO A 66 3.125 -1.061 1.791 1.00 0.00 C ATOM 1072 C PRO A 66 2.131 -0.016 2.291 1.00 0.00 C ATOM 1073 O PRO A 66 1.397 -0.255 3.249 1.00 0.00 O ATOM 1074 CB PRO A 66 2.376 -2.225 1.121 1.00 0.00 C ATOM 1075 CG PRO A 66 2.656 -3.435 1.960 1.00 0.00 C ATOM 1076 CD PRO A 66 3.173 -2.935 3.278 1.00 0.00 C ATOM 0 HA PRO A 66 3.796 -0.519 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.306 -2.023 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.720 -2.372 0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.752 -4.028 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.389 -4.080 1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.369 -2.744 3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.853 -3.646 3.749 1.00 0.00 H new ATOM 1084 N GLN A 67 2.095 1.130 1.617 1.00 0.00 N ATOM 1085 CA GLN A 67 1.172 2.195 1.983 1.00 0.00 C ATOM 1086 C GLN A 67 -0.141 2.025 1.231 1.00 0.00 C ATOM 1087 O GLN A 67 -0.150 1.616 0.074 1.00 0.00 O ATOM 1088 CB GLN A 67 1.783 3.563 1.672 1.00 0.00 C ATOM 1089 CG GLN A 67 1.213 4.691 2.517 1.00 0.00 C ATOM 1090 CD GLN A 67 1.743 4.679 3.937 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.935 3.617 4.531 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.981 5.862 4.491 1.00 0.00 N ATOM 0 H GLN A 67 2.692 1.343 0.818 1.00 0.00 H new ATOM 0 HA GLN A 67 0.979 2.137 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.861 3.514 1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.622 3.792 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.454 5.647 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.126 4.611 2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.808 6.717 3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.337 5.916 5.445 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.254 2.324 1.883 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.550 2.178 1.239 1.00 0.00 C ATOM 1103 C VAL A 68 -3.252 3.518 1.086 1.00 0.00 C ATOM 1104 O VAL A 68 -2.956 4.476 1.801 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.471 1.203 2.002 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.569 0.692 1.083 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.675 0.042 2.585 1.00 0.00 C ATOM 0 H VAL A 68 -1.287 2.664 2.844 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.352 1.764 0.250 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.930 1.742 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.213 0.005 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.161 1.533 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.122 0.172 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.348 -0.630 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.182 -0.502 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.925 0.426 3.276 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.187 3.578 0.145 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.931 4.802 -0.114 1.00 0.00 C ATOM 1119 C PHE A 69 -6.383 4.500 -0.456 1.00 0.00 C ATOM 1120 O PHE A 69 -6.678 3.555 -1.189 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.275 5.576 -1.255 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.074 6.356 -0.816 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -1.812 5.779 -0.817 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.209 7.666 -0.392 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -0.709 6.499 -0.404 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -2.108 8.390 0.022 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.857 7.805 0.017 1.00 0.00 C ATOM 0 H PHE A 69 -4.447 2.792 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.916 5.409 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.982 4.878 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.005 6.258 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.692 4.757 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.185 8.127 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.269 6.041 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.225 9.413 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.005 8.369 0.342 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.287 5.309 0.085 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.717 5.133 -0.149 1.00 0.00 C ATOM 1139 C ALA A 70 -9.028 5.016 -1.641 1.00 0.00 C ATOM 1140 O ALA A 70 -8.549 5.815 -2.446 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.495 6.289 0.462 1.00 0.00 C ATOM 0 H ALA A 70 -7.055 6.096 0.691 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.023 4.203 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.560 6.147 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.311 6.324 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.172 7.226 0.008 1.00 0.00 H new ATOM 1147 N PRO A 71 -9.854 4.025 -2.028 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.235 3.817 -3.429 1.00 0.00 C ATOM 1149 C PRO A 71 -10.790 5.087 -4.063 1.00 0.00 C ATOM 1150 O PRO A 71 -10.779 5.241 -5.285 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.310 2.732 -3.362 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.120 2.053 -2.046 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.491 3.054 -1.122 1.00 0.00 C ATOM 0 HA PRO A 71 -9.381 3.536 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.308 3.164 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.205 2.026 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.075 1.708 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.484 1.175 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.235 3.532 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.761 2.585 -0.463 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.265 5.996 -3.221 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.816 7.261 -3.683 1.00 0.00 C ATOM 1163 C ASP A 72 -11.895 8.253 -2.529 1.00 0.00 C ATOM 1164 O ASP A 72 -12.869 8.994 -2.399 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.204 7.049 -4.290 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.168 6.404 -3.313 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.191 5.157 -3.238 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.900 7.145 -2.625 1.00 0.00 O ATOM 0 H ASP A 72 -11.279 5.878 -2.208 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.158 7.666 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.607 8.009 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.118 6.423 -5.178 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.866 8.249 -1.684 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.843 9.152 -0.544 1.00 0.00 C ATOM 1175 C GLY A 73 -9.465 9.718 -0.266 1.00 0.00 C ATOM 1176 O GLY A 73 -8.957 10.538 -1.030 1.00 0.00 O ATOM 0 H GLY A 73 -10.052 7.640 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.538 9.973 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.197 8.622 0.340 1.00 0.00 H new ATOM 1180 N SER A 74 -8.864 9.286 0.840 1.00 0.00 N ATOM 1181 CA SER A 74 -7.538 9.761 1.228 1.00 0.00 C ATOM 1182 C SER A 74 -6.661 8.616 1.718 1.00 0.00 C ATOM 1183 O SER A 74 -7.028 7.446 1.620 1.00 0.00 O ATOM 1184 CB SER A 74 -7.658 10.826 2.320 1.00 0.00 C ATOM 1185 OG SER A 74 -8.894 11.513 2.228 1.00 0.00 O ATOM 0 H SER A 74 -9.274 8.608 1.483 1.00 0.00 H new ATOM 0 HA SER A 74 -7.068 10.197 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.571 10.358 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.836 11.536 2.232 1.00 0.00 H new ATOM 0 HG SER A 74 -8.947 12.187 2.937 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.494 8.971 2.239 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.541 7.995 2.746 1.00 0.00 C ATOM 1193 C HIS A 75 -5.102 7.260 3.961 1.00 0.00 C ATOM 1194 O HIS A 75 -5.518 7.883 4.937 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.238 8.702 3.116 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.191 7.795 3.685 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.647 7.942 4.942 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.579 6.715 3.136 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.741 6.969 5.113 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.663 6.196 4.047 1.00 0.00 N ATOM 0 H HIS A 75 -5.183 9.939 2.322 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.349 7.258 1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.837 9.190 2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.456 9.487 3.840 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.890 8.663 5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.772 6.321 2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.151 6.835 6.008 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.103 5.931 3.895 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.609 5.114 4.993 1.00 0.00 C ATOM 1210 C ILE A 76 -4.470 4.660 5.899 1.00 0.00 C ATOM 1211 O ILE A 76 -4.572 4.725 7.125 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.365 3.873 4.475 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.508 4.293 3.551 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.893 3.042 5.637 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.810 3.278 2.470 1.00 0.00 C ATOM 0 H ILE A 76 -4.760 5.399 3.095 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.302 5.736 5.560 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.668 3.258 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.406 4.456 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.257 5.246 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.423 2.171 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.059 2.713 6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.575 3.646 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.631 3.639 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.925 3.132 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.092 2.330 2.929 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.386 4.198 5.287 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.244 3.740 6.052 1.00 0.00 C ATOM 1229 C GLY A 77 -1.704 2.417 5.552 1.00 0.00 C ATOM 1230 O GLY A 77 -1.881 2.066 4.386 1.00 0.00 O ATOM 0 H GLY A 77 -3.278 4.133 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.455 4.491 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.529 3.640 7.099 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.037 1.687 6.436 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.471 0.402 6.067 1.00 0.00 C ATOM 1236 C GLY A 78 -1.437 -0.745 6.290 1.00 0.00 C ATOM 1237 O GLY A 78 -2.639 -0.609 6.059 1.00 0.00 O ATOM 0 H GLY A 78 -0.877 1.962 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.177 0.426 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.435 0.228 6.648 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.911 -1.880 6.742 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.733 -3.058 6.996 1.00 0.00 C ATOM 1243 C PHE A 79 -2.625 -2.848 8.217 1.00 0.00 C ATOM 1244 O PHE A 79 -3.845 -2.743 8.095 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.845 -4.290 7.197 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.611 -5.543 7.517 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.627 -5.984 6.684 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.312 -6.280 8.653 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.333 -7.135 6.979 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.015 -7.431 8.953 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.026 -7.860 8.114 1.00 0.00 C ATOM 0 H PHE A 79 0.081 -2.008 6.940 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.373 -3.219 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.258 -4.455 6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.139 -4.090 8.004 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.870 -5.422 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.521 -5.951 9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.124 -7.467 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.775 -7.995 9.842 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.575 -8.761 8.345 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.008 -2.786 9.394 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.748 -2.589 10.638 1.00 0.00 C ATOM 1263 C ASP A 80 -3.619 -1.340 10.559 1.00 0.00 C ATOM 1264 O ASP A 80 -4.796 -1.364 10.925 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.782 -2.475 11.819 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.504 -2.354 13.146 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.889 -3.400 13.711 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.687 -1.213 13.621 1.00 0.00 O ATOM 0 H ASP A 80 -0.998 -2.869 9.513 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.394 -3.454 10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.133 -3.351 11.840 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.140 -1.606 11.677 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.034 -0.248 10.076 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.758 1.011 9.944 1.00 0.00 C ATOM 1275 C GLN A 81 -5.032 0.815 9.131 1.00 0.00 C ATOM 1276 O GLN A 81 -6.061 1.429 9.412 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.875 2.069 9.280 1.00 0.00 C ATOM 1278 CG GLN A 81 -1.610 2.382 10.060 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.737 3.643 10.894 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -2.525 3.700 11.838 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.960 4.663 10.547 1.00 0.00 N ATOM 0 H GLN A 81 -2.062 -0.210 9.770 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.029 1.353 10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.601 1.727 8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.452 2.986 9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.372 1.542 10.712 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.777 2.492 9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.321 4.572 9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.002 5.537 11.070 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.955 -0.052 8.127 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.105 -0.334 7.280 1.00 0.00 C ATOM 1292 C LEU A 82 -7.113 -1.220 7.995 1.00 0.00 C ATOM 1293 O LEU A 82 -8.320 -1.008 7.879 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.675 -0.975 5.976 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.805 -1.078 4.964 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.434 -0.416 3.653 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.180 -2.522 4.758 1.00 0.00 C ATOM 0 H LEU A 82 -4.111 -0.569 7.882 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.587 0.618 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.859 -0.395 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.284 -1.972 6.179 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.671 -0.546 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.263 -0.507 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.220 0.639 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.552 -0.902 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.990 -2.587 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.315 -3.073 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.506 -2.952 5.705 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.627 -2.193 8.757 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.519 -3.075 9.506 1.00 0.00 C ATOM 1311 C ARG A 83 -8.489 -2.234 10.324 1.00 0.00 C ATOM 1312 O ARG A 83 -9.628 -2.632 10.567 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.716 -4.001 10.424 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.517 -5.177 10.955 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.651 -6.111 11.784 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.778 -5.851 13.216 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.158 -6.558 14.157 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.367 -7.570 13.823 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.329 -6.254 15.436 1.00 0.00 N ATOM 0 H ARG A 83 -5.633 -2.391 8.873 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.078 -3.695 8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.851 -4.378 9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.335 -3.423 11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.344 -4.810 11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.953 -5.727 10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.931 -7.144 11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.609 -5.998 11.486 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.378 -5.081 13.512 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.232 -7.809 12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.894 -8.109 14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.936 -5.478 15.699 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.853 -6.796 16.157 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.031 -1.045 10.718 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.862 -0.123 11.472 1.00 0.00 C ATOM 1335 C GLU A 84 -9.935 0.445 10.556 1.00 0.00 C ATOM 1336 O GLU A 84 -11.075 0.661 10.970 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.016 1.006 12.063 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.774 1.885 13.045 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.873 2.480 14.109 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.761 2.931 13.762 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.279 2.495 15.291 1.00 0.00 O ATOM 0 H GLU A 84 -7.089 -0.704 10.525 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.333 -0.658 12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.151 0.575 12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.636 1.627 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.268 2.690 12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.557 1.297 13.524 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.565 0.655 9.293 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.494 1.161 8.298 1.00 0.00 C ATOM 1350 C TYR A 85 -11.617 0.150 8.098 1.00 0.00 C ATOM 1351 O TYR A 85 -12.768 0.513 7.855 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.755 1.401 6.980 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.554 2.161 5.946 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.571 1.541 5.232 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.282 3.495 5.678 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.297 2.231 4.281 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.001 4.192 4.728 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.009 3.557 4.032 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.727 4.248 3.084 1.00 0.00 O ATOM 0 H TYR A 85 -8.624 0.480 8.940 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.920 2.105 8.638 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.836 1.950 7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.463 0.438 6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.798 0.503 5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.495 3.996 6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.086 1.735 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.776 5.230 4.530 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.399 5.170 3.033 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.262 -1.128 8.224 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.213 -2.223 8.070 1.00 0.00 C ATOM 1371 C PHE A 86 -12.914 -2.533 9.391 1.00 0.00 C ATOM 1372 O PHE A 86 -14.108 -2.279 9.546 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.481 -3.469 7.557 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.247 -3.454 6.073 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.237 -3.025 5.202 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.030 -3.851 5.550 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.015 -2.993 3.840 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.801 -3.818 4.189 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.793 -3.387 3.333 1.00 0.00 C ATOM 0 H PHE A 86 -10.311 -1.430 8.435 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.973 -1.923 7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.522 -3.554 8.068 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.060 -4.355 7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.193 -2.712 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.249 -4.191 6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.796 -2.660 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.845 -4.130 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.614 -3.358 2.268 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.162 -3.083 10.340 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.711 -3.427 11.646 1.00 0.00 C ATOM 1391 C LYS A 87 -11.597 -3.636 12.666 1.00 0.00 C ATOM 1392 O LYS A 87 -11.447 -2.779 13.563 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.570 -4.689 11.545 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.919 -5.805 10.742 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.244 -7.171 11.323 1.00 0.00 C ATOM 1396 CE LYS A 87 -14.726 -7.487 11.211 1.00 0.00 C ATOM 1397 NZ LYS A 87 -15.053 -8.172 9.930 1.00 0.00 N ATOM 1398 OXT LYS A 87 -10.884 -4.657 12.562 1.00 0.00 O ATOM 0 H LYS A 87 -11.172 -3.300 10.228 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.334 -2.598 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.785 -5.053 12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.525 -4.433 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.260 -5.758 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.839 -5.662 10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.668 -7.935 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.942 -7.203 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.027 -8.118 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.301 -6.564 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.073 -8.370 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.790 -7.559 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.525 -9.066 9.869 1.00 0.00 H new TER 1412 LYS A 87