USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 Single : A 1 GLY N :NH3+ -103:sc= 0.0976 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 139:sc= -1.17 (180deg=-3.92!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 100:sc= 1.83 USER MOD Single : A 26 HIS : no HE2:sc= 0.622 K(o=0.62,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0143) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0429 (180deg=-0.304) USER MOD Single : A 36 SER OG : rot 77:sc= 1.24 USER MOD Single : A 42 HIS : no HD1:sc= 0.852 K(o=0.85,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0267) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0842 F(o=-1.6!,f=-0.084) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 55 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00978) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.840 -27.230 -12.334 1.00 0.00 N ATOM 2 CA GLY A 1 13.269 -27.431 -12.644 1.00 0.00 C ATOM 3 C GLY A 1 14.074 -27.667 -11.384 1.00 0.00 C ATOM 4 O GLY A 1 13.604 -27.352 -10.288 1.00 0.00 O ATOM 0 H1 GLY A 1 11.311 -28.098 -12.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.732 -27.008 -11.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.469 -26.443 -12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.382 -28.282 -13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.657 -26.557 -13.168 1.00 0.00 H new ATOM 10 N PRO A 2 15.290 -28.244 -11.499 1.00 0.00 N ATOM 11 CA PRO A 2 16.162 -28.516 -10.340 1.00 0.00 C ATOM 12 C PRO A 2 16.615 -27.244 -9.607 1.00 0.00 C ATOM 13 O PRO A 2 16.865 -27.270 -8.395 1.00 0.00 O ATOM 14 CB PRO A 2 17.363 -29.248 -10.956 1.00 0.00 C ATOM 15 CG PRO A 2 17.360 -28.842 -12.386 1.00 0.00 C ATOM 16 CD PRO A 2 15.914 -28.692 -12.763 1.00 0.00 C ATOM 0 HA PRO A 2 15.639 -29.092 -9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.294 -28.964 -10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.265 -30.328 -10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.901 -27.906 -12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.851 -29.592 -13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.778 -27.963 -13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.488 -29.632 -13.113 1.00 0.00 H new ATOM 24 N LEU A 3 16.714 -26.142 -10.332 1.00 0.00 N ATOM 25 CA LEU A 3 17.086 -24.874 -9.738 1.00 0.00 C ATOM 26 C LEU A 3 15.922 -23.910 -9.795 1.00 0.00 C ATOM 27 O LEU A 3 15.255 -23.803 -10.826 1.00 0.00 O ATOM 28 CB LEU A 3 18.289 -24.255 -10.463 1.00 0.00 C ATOM 29 CG LEU A 3 19.577 -25.081 -10.490 1.00 0.00 C ATOM 30 CD1 LEU A 3 20.656 -24.346 -11.280 1.00 0.00 C ATOM 31 CD2 LEU A 3 20.054 -25.363 -9.076 1.00 0.00 C ATOM 0 H LEU A 3 16.541 -26.103 -11.336 1.00 0.00 H new ATOM 0 HA LEU A 3 17.360 -25.061 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.996 -24.048 -11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.510 -23.295 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 3 19.373 -26.033 -10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 3 21.568 -24.943 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 3 20.313 -24.186 -12.302 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.859 -23.384 -10.810 1.00 0.00 H new ATOM 0 HD21 LEU A 3 20.971 -25.951 -9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 3 20.247 -24.421 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.287 -25.919 -8.537 1.00 0.00 H new ATOM 43 N GLY A 4 15.662 -23.230 -8.692 1.00 0.00 N ATOM 44 CA GLY A 4 14.667 -22.184 -8.690 1.00 0.00 C ATOM 45 C GLY A 4 15.165 -21.013 -9.494 1.00 0.00 C ATOM 46 O GLY A 4 16.064 -20.296 -9.060 1.00 0.00 O ATOM 0 H GLY A 4 16.124 -23.385 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.733 -22.556 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.454 -21.872 -7.667 1.00 0.00 H new ATOM 50 N SER A 5 14.608 -20.835 -10.664 1.00 0.00 N ATOM 51 CA SER A 5 15.124 -19.885 -11.607 1.00 0.00 C ATOM 52 C SER A 5 14.440 -18.531 -11.500 1.00 0.00 C ATOM 53 O SER A 5 13.235 -18.404 -11.736 1.00 0.00 O ATOM 54 CB SER A 5 14.961 -20.435 -13.019 1.00 0.00 C ATOM 55 OG SER A 5 15.660 -21.663 -13.171 1.00 0.00 O ATOM 0 H SER A 5 13.786 -21.345 -10.987 1.00 0.00 H new ATOM 0 HA SER A 5 16.179 -19.732 -11.378 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.903 -20.585 -13.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.333 -19.709 -13.741 1.00 0.00 H new ATOM 0 HG SER A 5 15.539 -21.997 -14.084 1.00 0.00 H new ATOM 61 N LYS A 6 15.210 -17.528 -11.119 1.00 0.00 N ATOM 62 CA LYS A 6 14.770 -16.159 -11.234 1.00 0.00 C ATOM 63 C LYS A 6 14.645 -15.808 -12.705 1.00 0.00 C ATOM 64 O LYS A 6 13.721 -15.109 -13.128 1.00 0.00 O ATOM 65 CB LYS A 6 15.726 -15.196 -10.515 1.00 0.00 C ATOM 66 CG LYS A 6 15.307 -13.738 -10.611 1.00 0.00 C ATOM 67 CD LYS A 6 13.964 -13.503 -9.955 1.00 0.00 C ATOM 68 CE LYS A 6 13.532 -12.061 -10.101 1.00 0.00 C ATOM 69 NZ LYS A 6 12.197 -11.827 -9.512 1.00 0.00 N ATOM 0 H LYS A 6 16.145 -17.641 -10.727 1.00 0.00 H new ATOM 0 HA LYS A 6 13.799 -16.055 -10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.790 -15.478 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.725 -15.307 -10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.060 -13.110 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.259 -13.440 -11.658 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.217 -14.157 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.021 -13.764 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.262 -11.412 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.516 -11.791 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.935 -10.828 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.496 -12.428 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.219 -12.060 -8.499 1.00 0.00 H new ATOM 83 N TYR A 7 15.577 -16.318 -13.488 1.00 0.00 N ATOM 84 CA TYR A 7 15.546 -16.130 -14.908 1.00 0.00 C ATOM 85 C TYR A 7 14.725 -17.256 -15.519 1.00 0.00 C ATOM 86 O TYR A 7 15.253 -18.312 -15.870 1.00 0.00 O ATOM 87 CB TYR A 7 16.966 -16.143 -15.494 1.00 0.00 C ATOM 88 CG TYR A 7 17.910 -15.120 -14.894 1.00 0.00 C ATOM 89 CD1 TYR A 7 17.643 -13.765 -14.970 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.081 -15.520 -14.257 1.00 0.00 C ATOM 91 CE1 TYR A 7 18.508 -12.833 -14.429 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.952 -14.596 -13.716 1.00 0.00 C ATOM 93 CZ TYR A 7 19.663 -13.255 -13.807 1.00 0.00 C ATOM 94 OH TYR A 7 20.536 -12.329 -13.274 1.00 0.00 O ATOM 0 H TYR A 7 16.367 -16.869 -13.151 1.00 0.00 H new ATOM 0 HA TYR A 7 15.099 -15.163 -15.137 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.393 -17.136 -15.354 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.902 -15.972 -16.569 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.742 -13.429 -15.461 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.312 -16.572 -14.185 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.280 -11.779 -14.493 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.855 -14.925 -13.224 1.00 0.00 H new ATOM 0 HH TYR A 7 21.299 -12.793 -12.871 1.00 0.00 H new ATOM 104 N GLU A 8 13.431 -17.038 -15.605 1.00 0.00 N ATOM 105 CA GLU A 8 12.513 -18.037 -16.105 1.00 0.00 C ATOM 106 C GLU A 8 11.331 -17.349 -16.743 1.00 0.00 C ATOM 107 O GLU A 8 10.895 -16.301 -16.257 1.00 0.00 O ATOM 108 CB GLU A 8 12.040 -18.939 -14.960 1.00 0.00 C ATOM 109 CG GLU A 8 11.161 -20.102 -15.395 1.00 0.00 C ATOM 110 CD GLU A 8 10.748 -20.979 -14.239 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.766 -20.648 -13.543 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.404 -22.007 -14.011 1.00 0.00 O ATOM 0 H GLU A 8 12.986 -16.163 -15.330 1.00 0.00 H new ATOM 0 HA GLU A 8 13.019 -18.655 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.913 -19.334 -14.441 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.489 -18.333 -14.241 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.270 -19.715 -15.889 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.697 -20.703 -16.129 1.00 0.00 H new ATOM 119 N CYS A 9 10.835 -17.918 -17.822 1.00 0.00 N ATOM 120 CA CYS A 9 9.680 -17.403 -18.506 1.00 0.00 C ATOM 121 C CYS A 9 8.416 -18.038 -17.918 1.00 0.00 C ATOM 122 O CYS A 9 8.149 -19.225 -18.131 1.00 0.00 O ATOM 123 CB CYS A 9 9.807 -17.723 -20.003 1.00 0.00 C ATOM 124 SG CYS A 9 8.439 -17.168 -21.077 1.00 0.00 S ATOM 0 H CYS A 9 11.229 -18.757 -18.248 1.00 0.00 H new ATOM 0 HA CYS A 9 9.613 -16.322 -18.379 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.731 -17.276 -20.370 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.910 -18.803 -20.113 1.00 0.00 H new ATOM 129 N PRO A 10 7.626 -17.254 -17.158 1.00 0.00 N ATOM 130 CA PRO A 10 6.382 -17.727 -16.519 1.00 0.00 C ATOM 131 C PRO A 10 5.338 -18.149 -17.547 1.00 0.00 C ATOM 132 O PRO A 10 4.369 -18.834 -17.228 1.00 0.00 O ATOM 133 CB PRO A 10 5.884 -16.498 -15.745 1.00 0.00 C ATOM 134 CG PRO A 10 7.091 -15.644 -15.578 1.00 0.00 C ATOM 135 CD PRO A 10 7.900 -15.848 -16.821 1.00 0.00 C ATOM 0 HA PRO A 10 6.555 -18.603 -15.893 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.101 -15.975 -16.294 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.462 -16.781 -14.781 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.817 -14.596 -15.456 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.655 -15.931 -14.691 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.593 -15.173 -17.620 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.962 -15.673 -16.647 1.00 0.00 H new ATOM 143 N ILE A 11 5.516 -17.699 -18.768 1.00 0.00 N ATOM 144 CA ILE A 11 4.620 -18.059 -19.837 1.00 0.00 C ATOM 145 C ILE A 11 4.714 -19.565 -20.155 1.00 0.00 C ATOM 146 O ILE A 11 3.696 -20.234 -20.318 1.00 0.00 O ATOM 147 CB ILE A 11 4.879 -17.199 -21.095 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.520 -15.737 -20.788 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.045 -17.703 -22.279 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.935 -14.759 -21.858 1.00 0.00 C ATOM 0 H ILE A 11 6.278 -17.080 -19.044 1.00 0.00 H new ATOM 0 HA ILE A 11 3.602 -17.855 -19.504 1.00 0.00 H new ATOM 0 HB ILE A 11 5.933 -17.273 -21.364 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.442 -15.663 -20.642 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.990 -15.449 -19.847 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.243 -17.083 -23.154 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.312 -18.737 -22.499 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.986 -17.648 -22.028 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.644 -13.751 -21.562 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.016 -14.801 -21.990 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.445 -15.017 -22.797 1.00 0.00 H new ATOM 162 N CYS A 12 5.937 -20.095 -20.214 1.00 0.00 N ATOM 163 CA CYS A 12 6.133 -21.498 -20.586 1.00 0.00 C ATOM 164 C CYS A 12 6.554 -22.396 -19.401 1.00 0.00 C ATOM 165 O CYS A 12 6.361 -23.616 -19.445 1.00 0.00 O ATOM 166 CB CYS A 12 7.141 -21.603 -21.738 1.00 0.00 C ATOM 167 SG CYS A 12 8.738 -20.780 -21.426 1.00 0.00 S ATOM 0 H CYS A 12 6.796 -19.583 -20.012 1.00 0.00 H new ATOM 0 HA CYS A 12 5.164 -21.874 -20.915 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.325 -22.657 -21.948 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.694 -21.173 -22.635 1.00 0.00 H new ATOM 172 N LEU A 13 7.134 -21.786 -18.356 1.00 0.00 N ATOM 173 CA LEU A 13 7.642 -22.517 -17.166 1.00 0.00 C ATOM 174 C LEU A 13 8.792 -23.458 -17.512 1.00 0.00 C ATOM 175 O LEU A 13 9.090 -24.387 -16.762 1.00 0.00 O ATOM 176 CB LEU A 13 6.527 -23.326 -16.465 1.00 0.00 C ATOM 177 CG LEU A 13 5.738 -22.637 -15.347 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.985 -21.440 -15.863 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.786 -23.625 -14.695 1.00 0.00 C ATOM 0 H LEU A 13 7.268 -20.776 -18.304 1.00 0.00 H new ATOM 0 HA LEU A 13 8.009 -21.749 -16.486 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.817 -23.647 -17.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.978 -24.227 -16.050 1.00 0.00 H new ATOM 0 HG LEU A 13 6.448 -22.283 -14.600 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.436 -20.975 -15.044 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.688 -20.721 -16.283 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.284 -21.756 -16.636 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.230 -23.125 -13.902 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.089 -24.006 -15.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.355 -24.454 -14.273 1.00 0.00 H new ATOM 191 N MET A 14 9.454 -23.211 -18.620 1.00 0.00 N ATOM 192 CA MET A 14 10.593 -24.034 -19.004 1.00 0.00 C ATOM 193 C MET A 14 11.878 -23.375 -18.546 1.00 0.00 C ATOM 194 O MET A 14 12.546 -23.842 -17.617 1.00 0.00 O ATOM 195 CB MET A 14 10.630 -24.239 -20.528 1.00 0.00 C ATOM 196 CG MET A 14 9.453 -25.008 -21.139 1.00 0.00 C ATOM 197 SD MET A 14 9.473 -26.806 -20.853 1.00 0.00 S ATOM 198 CE MET A 14 8.991 -26.944 -19.131 1.00 0.00 C ATOM 0 H MET A 14 9.231 -22.456 -19.269 1.00 0.00 H new ATOM 0 HA MET A 14 10.491 -25.008 -18.526 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.683 -23.260 -21.004 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.550 -24.766 -20.780 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.525 -24.602 -20.736 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.440 -24.827 -22.214 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.302 -27.781 -19.012 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.876 -27.112 -18.518 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.501 -26.023 -18.815 1.00 0.00 H new ATOM 208 N ALA A 15 12.176 -22.259 -19.178 1.00 0.00 N ATOM 209 CA ALA A 15 13.390 -21.495 -18.978 1.00 0.00 C ATOM 210 C ALA A 15 13.279 -20.269 -19.858 1.00 0.00 C ATOM 211 O ALA A 15 12.175 -19.891 -20.238 1.00 0.00 O ATOM 212 CB ALA A 15 14.612 -22.328 -19.385 1.00 0.00 C ATOM 0 H ALA A 15 11.555 -21.843 -19.872 1.00 0.00 H new ATOM 0 HA ALA A 15 13.512 -21.218 -17.931 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.519 -21.743 -19.230 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.655 -23.232 -18.777 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.532 -22.602 -20.437 1.00 0.00 H new ATOM 218 N LEU A 16 14.389 -19.652 -20.174 1.00 0.00 N ATOM 219 CA LEU A 16 14.405 -18.557 -21.122 1.00 0.00 C ATOM 220 C LEU A 16 15.052 -19.039 -22.399 1.00 0.00 C ATOM 221 O LEU A 16 16.132 -19.621 -22.358 1.00 0.00 O ATOM 222 CB LEU A 16 15.214 -17.388 -20.568 1.00 0.00 C ATOM 223 CG LEU A 16 14.721 -16.764 -19.270 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.660 -15.657 -18.833 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.321 -16.214 -19.453 1.00 0.00 C ATOM 0 H LEU A 16 15.303 -19.889 -19.787 1.00 0.00 H new ATOM 0 HA LEU A 16 13.384 -18.224 -21.308 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.238 -17.727 -20.414 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.247 -16.608 -21.328 1.00 0.00 H new ATOM 0 HG LEU A 16 14.699 -17.534 -18.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.297 -15.218 -17.904 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.658 -16.067 -18.676 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.701 -14.889 -19.605 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.979 -15.770 -18.518 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.328 -15.454 -20.234 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.647 -17.022 -19.739 1.00 0.00 H new ATOM 237 N ARG A 17 14.401 -18.828 -23.527 1.00 0.00 N ATOM 238 CA ARG A 17 15.001 -19.206 -24.795 1.00 0.00 C ATOM 239 C ARG A 17 16.071 -18.201 -25.193 1.00 0.00 C ATOM 240 O ARG A 17 17.261 -18.482 -25.096 1.00 0.00 O ATOM 241 CB ARG A 17 13.940 -19.349 -25.895 1.00 0.00 C ATOM 242 CG ARG A 17 14.490 -19.801 -27.249 1.00 0.00 C ATOM 243 CD ARG A 17 15.121 -21.176 -27.148 1.00 0.00 C ATOM 244 NE ARG A 17 14.172 -22.176 -26.669 1.00 0.00 N ATOM 245 CZ ARG A 17 14.491 -23.235 -25.925 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.753 -23.451 -25.569 1.00 0.00 N ATOM 247 NH2 ARG A 17 13.541 -24.074 -25.535 1.00 0.00 N ATOM 0 H ARG A 17 13.475 -18.406 -23.594 1.00 0.00 H new ATOM 0 HA ARG A 17 15.473 -20.181 -24.671 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.187 -20.065 -25.565 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.435 -18.391 -26.023 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.686 -19.819 -27.984 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.229 -19.083 -27.603 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.500 -21.474 -28.125 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.976 -21.134 -26.473 1.00 0.00 H new ATOM 0 HE ARG A 17 13.191 -22.056 -26.922 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.484 -22.804 -25.865 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.990 -24.263 -25.000 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.571 -23.907 -25.804 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.780 -24.886 -24.966 1.00 0.00 H new ATOM 261 N GLU A 18 15.642 -17.024 -25.614 1.00 0.00 N ATOM 262 CA GLU A 18 16.581 -15.987 -25.998 1.00 0.00 C ATOM 263 C GLU A 18 16.877 -15.068 -24.829 1.00 0.00 C ATOM 264 O GLU A 18 17.857 -14.321 -24.851 1.00 0.00 O ATOM 265 CB GLU A 18 16.045 -15.186 -27.176 1.00 0.00 C ATOM 266 CG GLU A 18 15.803 -16.020 -28.417 1.00 0.00 C ATOM 267 CD GLU A 18 17.044 -16.734 -28.882 1.00 0.00 C ATOM 268 OE1 GLU A 18 18.093 -16.079 -29.067 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.988 -17.962 -29.053 1.00 0.00 O ATOM 0 H GLU A 18 14.659 -16.765 -25.698 1.00 0.00 H new ATOM 0 HA GLU A 18 17.510 -16.470 -26.300 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.111 -14.706 -26.883 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.751 -14.391 -27.415 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.022 -16.752 -28.212 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.436 -15.377 -29.217 1.00 0.00 H new ATOM 276 N ALA A 19 16.030 -15.156 -23.804 1.00 0.00 N ATOM 277 CA ALA A 19 16.114 -14.318 -22.606 1.00 0.00 C ATOM 278 C ALA A 19 15.976 -12.833 -22.937 1.00 0.00 C ATOM 279 O ALA A 19 16.967 -12.122 -23.105 1.00 0.00 O ATOM 280 CB ALA A 19 17.392 -14.591 -21.818 1.00 0.00 C ATOM 0 H ALA A 19 15.256 -15.820 -23.781 1.00 0.00 H new ATOM 0 HA ALA A 19 15.270 -14.588 -21.972 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.419 -13.951 -20.936 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.413 -15.636 -21.509 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.258 -14.381 -22.446 1.00 0.00 H new ATOM 286 N VAL A 20 14.745 -12.370 -23.041 1.00 0.00 N ATOM 287 CA VAL A 20 14.492 -10.969 -23.307 1.00 0.00 C ATOM 288 C VAL A 20 14.044 -10.248 -22.049 1.00 0.00 C ATOM 289 O VAL A 20 13.030 -10.596 -21.432 1.00 0.00 O ATOM 290 CB VAL A 20 13.505 -10.724 -24.486 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.090 -11.268 -25.775 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.139 -11.343 -24.228 1.00 0.00 C ATOM 0 H VAL A 20 13.907 -12.943 -22.945 1.00 0.00 H new ATOM 0 HA VAL A 20 15.444 -10.547 -23.629 1.00 0.00 H new ATOM 0 HB VAL A 20 13.363 -9.647 -24.576 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.392 -11.092 -26.594 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.033 -10.765 -25.987 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.265 -12.339 -25.672 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.484 -11.147 -25.077 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.247 -12.419 -24.094 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.706 -10.907 -23.328 1.00 0.00 H new ATOM 302 N GLN A 21 14.843 -9.285 -21.640 1.00 0.00 N ATOM 303 CA GLN A 21 14.567 -8.505 -20.452 1.00 0.00 C ATOM 304 C GLN A 21 13.529 -7.427 -20.761 1.00 0.00 C ATOM 305 O GLN A 21 13.615 -6.749 -21.782 1.00 0.00 O ATOM 306 CB GLN A 21 15.862 -7.867 -19.938 1.00 0.00 C ATOM 307 CG GLN A 21 15.705 -7.087 -18.644 1.00 0.00 C ATOM 308 CD GLN A 21 16.987 -6.405 -18.223 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.787 -6.964 -17.468 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.200 -5.204 -18.720 1.00 0.00 N ATOM 0 H GLN A 21 15.702 -9.021 -22.122 1.00 0.00 H new ATOM 0 HA GLN A 21 14.166 -9.161 -19.679 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.605 -8.651 -19.788 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.254 -7.199 -20.705 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.922 -6.339 -18.767 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.379 -7.762 -17.853 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.511 -4.779 -19.341 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.054 -4.699 -18.484 1.00 0.00 H new ATOM 319 N THR A 22 12.554 -7.309 -19.900 1.00 0.00 N ATOM 320 CA THR A 22 11.536 -6.295 -20.007 1.00 0.00 C ATOM 321 C THR A 22 12.006 -5.041 -19.274 1.00 0.00 C ATOM 322 O THR A 22 12.922 -5.119 -18.443 1.00 0.00 O ATOM 323 CB THR A 22 10.229 -6.807 -19.364 1.00 0.00 C ATOM 324 OG1 THR A 22 10.472 -7.154 -17.996 1.00 0.00 O ATOM 325 CG2 THR A 22 9.720 -8.029 -20.100 1.00 0.00 C ATOM 0 H THR A 22 12.442 -7.922 -19.093 1.00 0.00 H new ATOM 0 HA THR A 22 11.355 -6.064 -21.057 1.00 0.00 H new ATOM 0 HB THR A 22 9.480 -6.017 -19.422 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.173 -6.424 -17.415 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.798 -8.377 -19.634 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.525 -7.772 -21.141 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.470 -8.819 -20.056 1.00 0.00 H new ATOM 333 N PRO A 23 11.390 -3.872 -19.546 1.00 0.00 N ATOM 334 CA PRO A 23 11.774 -2.606 -18.898 1.00 0.00 C ATOM 335 C PRO A 23 11.622 -2.645 -17.377 1.00 0.00 C ATOM 336 O PRO A 23 12.350 -1.965 -16.664 1.00 0.00 O ATOM 337 CB PRO A 23 10.798 -1.590 -19.504 1.00 0.00 C ATOM 338 CG PRO A 23 9.665 -2.412 -20.015 1.00 0.00 C ATOM 339 CD PRO A 23 10.295 -3.673 -20.510 1.00 0.00 C ATOM 0 HA PRO A 23 12.825 -2.371 -19.066 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.461 -0.871 -18.757 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.267 -1.020 -20.306 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.939 -2.616 -19.228 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.132 -1.897 -20.814 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.593 -4.507 -20.507 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.664 -3.570 -21.530 1.00 0.00 H new ATOM 347 N CYS A 24 10.689 -3.451 -16.886 1.00 0.00 N ATOM 348 CA CYS A 24 10.472 -3.581 -15.458 1.00 0.00 C ATOM 349 C CYS A 24 11.613 -4.358 -14.794 1.00 0.00 C ATOM 350 O CYS A 24 11.959 -4.109 -13.635 1.00 0.00 O ATOM 351 CB CYS A 24 9.127 -4.247 -15.197 1.00 0.00 C ATOM 352 SG CYS A 24 8.724 -5.585 -16.364 1.00 0.00 S ATOM 0 H CYS A 24 10.071 -4.024 -17.461 1.00 0.00 H new ATOM 0 HA CYS A 24 10.458 -2.585 -15.015 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.123 -4.649 -14.184 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.344 -3.491 -15.243 1.00 0.00 H new ATOM 357 N GLY A 25 12.208 -5.273 -15.541 1.00 0.00 N ATOM 358 CA GLY A 25 13.306 -6.056 -15.014 1.00 0.00 C ATOM 359 C GLY A 25 12.985 -7.531 -14.926 1.00 0.00 C ATOM 360 O GLY A 25 13.511 -8.240 -14.070 1.00 0.00 O ATOM 0 H GLY A 25 11.951 -5.488 -16.504 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.182 -5.917 -15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.567 -5.686 -14.023 1.00 0.00 H new ATOM 364 N HIS A 26 12.134 -8.000 -15.811 1.00 0.00 N ATOM 365 CA HIS A 26 11.753 -9.403 -15.847 1.00 0.00 C ATOM 366 C HIS A 26 12.183 -9.988 -17.170 1.00 0.00 C ATOM 367 O HIS A 26 12.398 -9.256 -18.120 1.00 0.00 O ATOM 368 CB HIS A 26 10.244 -9.567 -15.637 1.00 0.00 C ATOM 369 CG HIS A 26 9.791 -9.105 -14.290 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.160 -7.892 -14.081 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.920 -9.677 -13.072 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.930 -7.746 -12.782 1.00 0.00 C ATOM 373 NE2 HIS A 26 9.378 -8.812 -12.154 1.00 0.00 N ATOM 0 H HIS A 26 11.686 -7.426 -16.525 1.00 0.00 H new ATOM 0 HA HIS A 26 12.250 -9.936 -15.036 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.712 -9.006 -16.406 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.976 -10.616 -15.765 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.912 -7.220 -14.807 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.367 -10.637 -12.860 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.455 -6.895 -12.318 1.00 0.00 H new ATOM 380 N ARG A 27 12.349 -11.284 -17.244 1.00 0.00 N ATOM 381 CA ARG A 27 12.812 -11.874 -18.479 1.00 0.00 C ATOM 382 C ARG A 27 11.869 -12.964 -18.957 1.00 0.00 C ATOM 383 O ARG A 27 11.362 -13.763 -18.166 1.00 0.00 O ATOM 384 CB ARG A 27 14.246 -12.400 -18.333 1.00 0.00 C ATOM 385 CG ARG A 27 15.251 -11.311 -17.995 1.00 0.00 C ATOM 386 CD ARG A 27 16.666 -11.848 -17.878 1.00 0.00 C ATOM 387 NE ARG A 27 17.592 -10.810 -17.415 1.00 0.00 N ATOM 388 CZ ARG A 27 18.923 -10.869 -17.493 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.513 -11.900 -18.087 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.658 -9.893 -16.979 1.00 0.00 N ATOM 0 H ARG A 27 12.176 -11.941 -16.483 1.00 0.00 H new ATOM 0 HA ARG A 27 12.820 -11.093 -19.239 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.269 -13.162 -17.554 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.545 -12.885 -19.262 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.220 -10.540 -18.765 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.966 -10.836 -17.056 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.682 -12.689 -17.184 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.995 -12.227 -18.846 1.00 0.00 H new ATOM 0 HE ARG A 27 17.185 -9.973 -16.998 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.949 -12.650 -18.486 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.531 -11.941 -18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.206 -9.099 -16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.675 -9.936 -17.037 1.00 0.00 H new ATOM 404 N PHE A 28 11.647 -12.979 -20.255 1.00 0.00 N ATOM 405 CA PHE A 28 10.750 -13.911 -20.920 1.00 0.00 C ATOM 406 C PHE A 28 11.432 -14.429 -22.173 1.00 0.00 C ATOM 407 O PHE A 28 12.516 -13.954 -22.534 1.00 0.00 O ATOM 408 CB PHE A 28 9.439 -13.211 -21.316 1.00 0.00 C ATOM 409 CG PHE A 28 8.608 -12.703 -20.163 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.804 -11.425 -19.657 1.00 0.00 C ATOM 411 CD2 PHE A 28 7.621 -13.491 -19.598 1.00 0.00 C ATOM 412 CE1 PHE A 28 8.035 -10.947 -18.611 1.00 0.00 C ATOM 413 CE2 PHE A 28 6.850 -13.019 -18.552 1.00 0.00 C ATOM 414 CZ PHE A 28 7.057 -11.745 -18.058 1.00 0.00 C ATOM 0 H PHE A 28 12.096 -12.326 -20.897 1.00 0.00 H new ATOM 0 HA PHE A 28 10.518 -14.731 -20.240 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.677 -12.371 -21.969 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.836 -13.907 -21.899 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.568 -10.794 -20.087 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.451 -14.487 -19.979 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.201 -9.951 -18.229 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.085 -13.647 -18.120 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.454 -11.376 -17.241 1.00 0.00 H new ATOM 424 N CYS A 29 10.843 -15.415 -22.818 1.00 0.00 N ATOM 425 CA CYS A 29 11.359 -15.861 -24.094 1.00 0.00 C ATOM 426 C CYS A 29 10.919 -14.887 -25.185 1.00 0.00 C ATOM 427 O CYS A 29 9.847 -14.285 -25.094 1.00 0.00 O ATOM 428 CB CYS A 29 10.869 -17.263 -24.424 1.00 0.00 C ATOM 429 SG CYS A 29 11.213 -18.504 -23.136 1.00 0.00 S ATOM 0 H CYS A 29 10.019 -15.916 -22.486 1.00 0.00 H new ATOM 0 HA CYS A 29 12.447 -15.889 -24.038 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.794 -17.227 -24.598 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.333 -17.587 -25.356 1.00 0.00 H new ATOM 434 N LYS A 30 11.731 -14.771 -26.221 1.00 0.00 N ATOM 435 CA LYS A 30 11.549 -13.778 -27.283 1.00 0.00 C ATOM 436 C LYS A 30 10.339 -14.111 -28.167 1.00 0.00 C ATOM 437 O LYS A 30 9.928 -13.316 -28.997 1.00 0.00 O ATOM 438 CB LYS A 30 12.846 -13.665 -28.103 1.00 0.00 C ATOM 439 CG LYS A 30 12.871 -12.572 -29.165 1.00 0.00 C ATOM 440 CD LYS A 30 14.248 -12.497 -29.820 1.00 0.00 C ATOM 441 CE LYS A 30 14.326 -11.396 -30.867 1.00 0.00 C ATOM 442 NZ LYS A 30 13.492 -11.689 -32.054 1.00 0.00 N ATOM 0 H LYS A 30 12.547 -15.368 -26.357 1.00 0.00 H new ATOM 0 HA LYS A 30 11.338 -12.809 -26.830 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.674 -13.495 -27.415 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.029 -14.622 -28.591 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.112 -12.774 -29.921 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.624 -11.611 -28.713 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.004 -12.322 -29.054 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.480 -13.455 -30.285 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.005 -10.453 -30.424 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.363 -11.266 -31.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.630 -10.945 -32.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.769 -12.608 -32.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.490 -11.720 -31.775 1.00 0.00 H new ATOM 456 N ALA A 31 9.763 -15.275 -27.965 1.00 0.00 N ATOM 457 CA ALA A 31 8.597 -15.667 -28.731 1.00 0.00 C ATOM 458 C ALA A 31 7.382 -15.793 -27.825 1.00 0.00 C ATOM 459 O ALA A 31 6.266 -15.454 -28.227 1.00 0.00 O ATOM 460 CB ALA A 31 8.857 -16.979 -29.449 1.00 0.00 C ATOM 0 H ALA A 31 10.079 -15.964 -27.282 1.00 0.00 H new ATOM 0 HA ALA A 31 8.395 -14.895 -29.474 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.973 -17.262 -30.021 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.704 -16.862 -30.125 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.080 -17.756 -28.718 1.00 0.00 H new ATOM 466 N CYS A 32 7.603 -16.231 -26.588 1.00 0.00 N ATOM 467 CA CYS A 32 6.518 -16.390 -25.636 1.00 0.00 C ATOM 468 C CYS A 32 5.904 -15.041 -25.283 1.00 0.00 C ATOM 469 O CYS A 32 4.679 -14.885 -25.281 1.00 0.00 O ATOM 470 CB CYS A 32 7.024 -17.056 -24.349 1.00 0.00 C ATOM 471 SG CYS A 32 7.841 -18.669 -24.569 1.00 0.00 S ATOM 0 H CYS A 32 8.523 -16.481 -26.226 1.00 0.00 H new ATOM 0 HA CYS A 32 5.761 -17.020 -26.102 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.724 -16.378 -23.861 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.180 -17.185 -23.672 1.00 0.00 H new ATOM 476 N ILE A 33 6.754 -14.061 -24.997 1.00 0.00 N ATOM 477 CA ILE A 33 6.264 -12.764 -24.562 1.00 0.00 C ATOM 478 C ILE A 33 5.536 -12.032 -25.689 1.00 0.00 C ATOM 479 O ILE A 33 4.468 -11.473 -25.475 1.00 0.00 O ATOM 480 CB ILE A 33 7.378 -11.878 -23.934 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.786 -10.624 -23.280 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.447 -11.508 -24.947 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.895 -10.919 -22.090 1.00 0.00 C ATOM 0 H ILE A 33 7.769 -14.140 -25.058 1.00 0.00 H new ATOM 0 HA ILE A 33 5.542 -12.959 -23.769 1.00 0.00 H new ATOM 0 HB ILE A 33 7.859 -12.472 -23.157 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.600 -9.973 -22.960 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.211 -10.074 -24.025 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.205 -10.889 -24.467 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.911 -12.415 -25.334 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.993 -10.954 -25.769 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.513 -9.984 -21.680 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.060 -11.544 -22.407 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.470 -11.442 -21.326 1.00 0.00 H new ATOM 495 N ILE A 34 6.082 -12.104 -26.900 1.00 0.00 N ATOM 496 CA ILE A 34 5.491 -11.445 -28.052 1.00 0.00 C ATOM 497 C ILE A 34 4.111 -12.027 -28.349 1.00 0.00 C ATOM 498 O ILE A 34 3.150 -11.292 -28.588 1.00 0.00 O ATOM 499 CB ILE A 34 6.399 -11.476 -29.314 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.647 -10.619 -29.078 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.641 -10.958 -30.534 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.678 -10.723 -30.180 1.00 0.00 C ATOM 0 H ILE A 34 6.939 -12.617 -27.105 1.00 0.00 H new ATOM 0 HA ILE A 34 5.384 -10.392 -27.790 1.00 0.00 H new ATOM 0 HB ILE A 34 6.698 -12.507 -29.501 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.346 -9.577 -28.973 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.106 -10.915 -28.135 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.293 -10.987 -31.407 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.767 -11.585 -30.712 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.321 -9.932 -30.355 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.531 -10.088 -29.941 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.009 -11.757 -30.272 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.237 -10.398 -31.123 1.00 0.00 H new ATOM 514 N LYS A 35 4.000 -13.342 -28.258 1.00 0.00 N ATOM 515 CA LYS A 35 2.775 -14.036 -28.634 1.00 0.00 C ATOM 516 C LYS A 35 1.729 -13.889 -27.510 1.00 0.00 C ATOM 517 O LYS A 35 0.578 -14.308 -27.642 1.00 0.00 O ATOM 518 CB LYS A 35 3.114 -15.524 -28.859 1.00 0.00 C ATOM 519 CG LYS A 35 2.002 -16.385 -29.435 1.00 0.00 C ATOM 520 CD LYS A 35 1.626 -15.917 -30.830 1.00 0.00 C ATOM 521 CE LYS A 35 0.760 -16.931 -31.551 1.00 0.00 C ATOM 522 NZ LYS A 35 1.508 -18.177 -31.864 1.00 0.00 N ATOM 0 H LYS A 35 4.745 -13.954 -27.926 1.00 0.00 H new ATOM 0 HA LYS A 35 2.360 -13.609 -29.547 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.974 -15.583 -29.527 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.421 -15.954 -27.905 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.323 -17.426 -29.470 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.129 -16.342 -28.784 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.095 -14.967 -30.764 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.532 -15.736 -31.409 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.106 -17.173 -30.934 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.381 -16.493 -32.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.013 -18.700 -32.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.467 -17.935 -32.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.568 -18.769 -31.011 1.00 0.00 H new ATOM 536 N SER A 36 2.128 -13.250 -26.427 1.00 0.00 N ATOM 537 CA SER A 36 1.220 -12.981 -25.337 1.00 0.00 C ATOM 538 C SER A 36 0.837 -11.494 -25.287 1.00 0.00 C ATOM 539 O SER A 36 -0.197 -11.126 -24.733 1.00 0.00 O ATOM 540 CB SER A 36 1.850 -13.423 -24.018 1.00 0.00 C ATOM 541 OG SER A 36 2.209 -14.800 -24.074 1.00 0.00 O ATOM 0 H SER A 36 3.078 -12.908 -26.282 1.00 0.00 H new ATOM 0 HA SER A 36 0.305 -13.550 -25.500 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.733 -12.819 -23.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.149 -13.257 -23.200 1.00 0.00 H new ATOM 0 HG SER A 36 3.031 -14.903 -24.597 1.00 0.00 H new ATOM 547 N ILE A 37 1.649 -10.643 -25.903 1.00 0.00 N ATOM 548 CA ILE A 37 1.420 -9.204 -25.828 1.00 0.00 C ATOM 549 C ILE A 37 0.830 -8.644 -27.116 1.00 0.00 C ATOM 550 O ILE A 37 0.417 -7.494 -27.160 1.00 0.00 O ATOM 551 CB ILE A 37 2.720 -8.431 -25.484 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.796 -8.701 -26.541 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.212 -8.786 -24.086 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.076 -7.920 -26.354 1.00 0.00 C ATOM 0 H ILE A 37 2.462 -10.919 -26.454 1.00 0.00 H new ATOM 0 HA ILE A 37 0.697 -9.061 -25.025 1.00 0.00 H new ATOM 0 HB ILE A 37 2.500 -7.363 -25.491 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.032 -9.765 -26.536 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.386 -8.470 -27.524 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.125 -8.231 -23.870 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.447 -8.526 -23.354 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.417 -9.855 -24.033 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.778 -8.176 -27.148 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.860 -6.852 -26.391 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.515 -8.168 -25.388 1.00 0.00 H new ATOM 566 N ARG A 38 0.776 -9.459 -28.153 1.00 0.00 N ATOM 567 CA ARG A 38 0.205 -9.013 -29.420 1.00 0.00 C ATOM 568 C ARG A 38 -1.257 -9.423 -29.515 1.00 0.00 C ATOM 569 O ARG A 38 -1.953 -9.087 -30.476 1.00 0.00 O ATOM 570 CB ARG A 38 0.995 -9.590 -30.602 1.00 0.00 C ATOM 571 CG ARG A 38 0.877 -11.099 -30.754 1.00 0.00 C ATOM 572 CD ARG A 38 1.749 -11.609 -31.888 1.00 0.00 C ATOM 573 NE ARG A 38 1.352 -11.059 -33.189 1.00 0.00 N ATOM 574 CZ ARG A 38 0.484 -11.629 -34.037 1.00 0.00 C ATOM 575 NH1 ARG A 38 -0.096 -12.787 -33.734 1.00 0.00 N ATOM 576 NH2 ARG A 38 0.200 -11.039 -35.190 1.00 0.00 N ATOM 0 H ARG A 38 1.114 -10.421 -28.149 1.00 0.00 H new ATOM 0 HA ARG A 38 0.268 -7.926 -29.460 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.651 -9.116 -31.521 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.047 -9.329 -30.483 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.168 -11.584 -29.822 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.162 -11.368 -30.943 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.789 -11.349 -31.689 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.694 -12.697 -31.924 1.00 0.00 H new ATOM 0 HE ARG A 38 1.770 -10.172 -33.471 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.118 -13.249 -32.850 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.755 -13.213 -34.385 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.642 -10.152 -35.431 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.460 -11.472 -35.836 1.00 0.00 H new ATOM 590 N ASP A 39 -1.716 -10.143 -28.509 1.00 0.00 N ATOM 591 CA ASP A 39 -3.092 -10.626 -28.473 1.00 0.00 C ATOM 592 C ASP A 39 -3.857 -10.026 -27.310 1.00 0.00 C ATOM 593 O ASP A 39 -4.904 -9.403 -27.497 1.00 0.00 O ATOM 594 CB ASP A 39 -3.122 -12.151 -28.367 1.00 0.00 C ATOM 595 CG ASP A 39 -4.534 -12.686 -28.235 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.222 -12.825 -29.263 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.965 -12.969 -27.099 1.00 0.00 O ATOM 0 H ASP A 39 -1.156 -10.410 -27.699 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.571 -10.317 -29.402 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.652 -12.585 -29.250 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.534 -12.466 -27.505 1.00 0.00 H new ATOM 602 N ALA A 40 -3.327 -10.211 -26.109 1.00 0.00 N ATOM 603 CA ALA A 40 -3.975 -9.725 -24.911 1.00 0.00 C ATOM 604 C ALA A 40 -3.746 -8.234 -24.750 1.00 0.00 C ATOM 605 O ALA A 40 -4.677 -7.435 -24.864 1.00 0.00 O ATOM 606 CB ALA A 40 -3.466 -10.483 -23.696 1.00 0.00 C ATOM 0 H ALA A 40 -2.446 -10.697 -25.944 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.048 -9.895 -25.000 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.961 -10.109 -22.800 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.682 -11.545 -23.813 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.389 -10.340 -23.603 1.00 0.00 H new ATOM 612 N GLY A 41 -2.512 -7.868 -24.504 1.00 0.00 N ATOM 613 CA GLY A 41 -2.153 -6.481 -24.375 1.00 0.00 C ATOM 614 C GLY A 41 -0.679 -6.353 -24.163 1.00 0.00 C ATOM 615 O GLY A 41 -0.013 -7.349 -23.863 1.00 0.00 O ATOM 0 H GLY A 41 -1.735 -8.519 -24.389 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.449 -5.935 -25.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.689 -6.034 -23.538 1.00 0.00 H new ATOM 619 N HIS A 42 -0.150 -5.161 -24.287 1.00 0.00 N ATOM 620 CA HIS A 42 1.276 -4.969 -24.162 1.00 0.00 C ATOM 621 C HIS A 42 1.675 -4.657 -22.734 1.00 0.00 C ATOM 622 O HIS A 42 1.906 -3.507 -22.359 1.00 0.00 O ATOM 623 CB HIS A 42 1.803 -3.919 -25.143 1.00 0.00 C ATOM 624 CG HIS A 42 1.814 -4.375 -26.574 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.770 -4.175 -27.445 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.762 -5.032 -27.279 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.073 -4.689 -28.624 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.280 -5.214 -28.546 1.00 0.00 N ATOM 0 H HIS A 42 -0.682 -4.311 -24.474 1.00 0.00 H new ATOM 0 HA HIS A 42 1.749 -5.914 -24.430 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.190 -3.021 -25.063 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.816 -3.641 -24.853 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.724 -5.354 -26.909 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.441 -4.681 -29.500 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.774 -5.680 -29.307 1.00 0.00 H new ATOM 637 N LYS A 43 1.695 -5.689 -21.934 1.00 0.00 N ATOM 638 CA LYS A 43 2.129 -5.623 -20.556 1.00 0.00 C ATOM 639 C LYS A 43 2.679 -6.963 -20.156 1.00 0.00 C ATOM 640 O LYS A 43 2.355 -7.972 -20.789 1.00 0.00 O ATOM 641 CB LYS A 43 0.975 -5.225 -19.615 1.00 0.00 C ATOM 642 CG LYS A 43 -0.261 -6.116 -19.706 1.00 0.00 C ATOM 643 CD LYS A 43 -1.285 -5.772 -18.625 1.00 0.00 C ATOM 644 CE LYS A 43 -1.835 -4.353 -18.762 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.621 -4.154 -20.008 1.00 0.00 N ATOM 0 H LYS A 43 1.404 -6.622 -22.225 1.00 0.00 H new ATOM 0 HA LYS A 43 2.899 -4.857 -20.470 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.341 -5.239 -18.588 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.683 -4.198 -19.835 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.718 -6.005 -20.689 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.035 -7.160 -19.608 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.110 -6.483 -18.673 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.823 -5.885 -17.644 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.465 -4.129 -17.901 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.007 -3.645 -18.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.025 -3.196 -20.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.000 -4.273 -20.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.389 -4.854 -20.049 1.00 0.00 H new ATOM 659 N CYS A 44 3.512 -6.988 -19.142 1.00 0.00 N ATOM 660 CA CYS A 44 4.006 -8.241 -18.632 1.00 0.00 C ATOM 661 C CYS A 44 2.931 -8.907 -17.764 1.00 0.00 C ATOM 662 O CYS A 44 2.315 -8.259 -16.918 1.00 0.00 O ATOM 663 CB CYS A 44 5.314 -8.033 -17.862 1.00 0.00 C ATOM 664 SG CYS A 44 5.269 -6.657 -16.672 1.00 0.00 S ATOM 0 H CYS A 44 3.859 -6.160 -18.658 1.00 0.00 H new ATOM 0 HA CYS A 44 4.228 -8.908 -19.465 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.559 -8.952 -17.329 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.118 -7.855 -18.576 1.00 0.00 H new ATOM 669 N PRO A 45 2.677 -10.207 -17.975 1.00 0.00 N ATOM 670 CA PRO A 45 1.590 -10.925 -17.291 1.00 0.00 C ATOM 671 C PRO A 45 1.759 -10.996 -15.768 1.00 0.00 C ATOM 672 O PRO A 45 0.776 -11.112 -15.033 1.00 0.00 O ATOM 673 CB PRO A 45 1.648 -12.327 -17.909 1.00 0.00 C ATOM 674 CG PRO A 45 3.039 -12.453 -18.418 1.00 0.00 C ATOM 675 CD PRO A 45 3.412 -11.084 -18.901 1.00 0.00 C ATOM 0 HA PRO A 45 0.635 -10.416 -17.425 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.425 -13.096 -17.170 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.920 -12.437 -18.713 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.716 -12.790 -17.633 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.097 -13.184 -19.225 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.488 -10.916 -18.851 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.112 -10.923 -19.936 1.00 0.00 H new ATOM 683 N VAL A 46 2.987 -10.914 -15.289 1.00 0.00 N ATOM 684 CA VAL A 46 3.232 -11.071 -13.865 1.00 0.00 C ATOM 685 C VAL A 46 2.993 -9.791 -13.043 1.00 0.00 C ATOM 686 O VAL A 46 2.146 -9.781 -12.148 1.00 0.00 O ATOM 687 CB VAL A 46 4.616 -11.715 -13.545 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.622 -13.182 -13.946 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.751 -10.983 -14.254 1.00 0.00 C ATOM 0 H VAL A 46 3.819 -10.742 -15.854 1.00 0.00 H new ATOM 0 HA VAL A 46 2.472 -11.781 -13.540 1.00 0.00 H new ATOM 0 HB VAL A 46 4.776 -11.632 -12.470 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.594 -13.618 -13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.847 -13.713 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.429 -13.268 -15.015 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.700 -11.459 -14.008 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.593 -11.024 -15.332 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.772 -9.943 -13.929 1.00 0.00 H new ATOM 699 N ASP A 47 3.715 -8.729 -13.341 1.00 0.00 N ATOM 700 CA ASP A 47 3.598 -7.489 -12.566 1.00 0.00 C ATOM 701 C ASP A 47 2.855 -6.392 -13.321 1.00 0.00 C ATOM 702 O ASP A 47 2.717 -5.280 -12.821 1.00 0.00 O ATOM 703 CB ASP A 47 4.989 -6.985 -12.168 1.00 0.00 C ATOM 704 CG ASP A 47 5.907 -6.824 -13.363 1.00 0.00 C ATOM 705 OD1 ASP A 47 6.123 -7.797 -14.110 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.446 -5.735 -13.593 1.00 0.00 O ATOM 0 H ASP A 47 4.387 -8.690 -14.107 1.00 0.00 H new ATOM 0 HA ASP A 47 3.015 -7.726 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.893 -6.028 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.437 -7.683 -11.460 1.00 0.00 H new ATOM 711 N ASN A 48 2.362 -6.719 -14.499 1.00 0.00 N ATOM 712 CA ASN A 48 1.496 -5.830 -15.300 1.00 0.00 C ATOM 713 C ASN A 48 2.069 -4.440 -15.606 1.00 0.00 C ATOM 714 O ASN A 48 1.317 -3.462 -15.709 1.00 0.00 O ATOM 715 CB ASN A 48 0.092 -5.709 -14.713 1.00 0.00 C ATOM 716 CG ASN A 48 -0.744 -6.968 -14.865 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.431 -7.796 -15.844 1.00 0.00 O flip ATOM 718 ND2 ASN A 48 -1.673 -7.196 -14.093 1.00 0.00 N flip ATOM 0 H ASN A 48 2.545 -7.617 -14.946 1.00 0.00 H new ATOM 0 HA ASN A 48 1.443 -6.338 -16.263 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.170 -5.461 -13.654 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.424 -4.880 -15.197 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.889 -6.536 -13.346 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.227 -8.046 -14.199 1.00 0.00 H new ATOM 725 N GLU A 49 3.362 -4.352 -15.784 1.00 0.00 N ATOM 726 CA GLU A 49 3.961 -3.114 -16.261 1.00 0.00 C ATOM 727 C GLU A 49 3.777 -2.983 -17.747 1.00 0.00 C ATOM 728 O GLU A 49 3.672 -3.990 -18.458 1.00 0.00 O ATOM 729 CB GLU A 49 5.437 -3.013 -15.891 1.00 0.00 C ATOM 730 CG GLU A 49 5.673 -2.677 -14.439 1.00 0.00 C ATOM 731 CD GLU A 49 5.167 -1.291 -14.105 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.629 -0.308 -14.741 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.310 -1.158 -13.214 1.00 0.00 O ATOM 0 H GLU A 49 4.022 -5.110 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 49 3.448 -2.289 -15.766 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.926 -3.960 -16.121 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.908 -2.252 -16.513 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.172 -3.411 -13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.738 -2.740 -14.218 1.00 0.00 H new ATOM 740 N ILE A 50 3.719 -1.752 -18.221 1.00 0.00 N ATOM 741 CA ILE A 50 3.515 -1.498 -19.631 1.00 0.00 C ATOM 742 C ILE A 50 4.735 -1.978 -20.390 1.00 0.00 C ATOM 743 O ILE A 50 5.857 -1.521 -20.144 1.00 0.00 O ATOM 744 CB ILE A 50 3.273 0.004 -19.912 1.00 0.00 C ATOM 745 CG1 ILE A 50 2.084 0.519 -19.082 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.023 0.237 -21.402 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.774 -0.198 -19.348 1.00 0.00 C ATOM 0 H ILE A 50 3.811 -0.913 -17.648 1.00 0.00 H new ATOM 0 HA ILE A 50 2.626 -2.037 -19.959 1.00 0.00 H new ATOM 0 HB ILE A 50 4.166 0.558 -19.622 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.327 0.424 -18.024 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.950 1.582 -19.284 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.855 1.299 -21.581 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.891 -0.094 -21.973 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.145 -0.327 -21.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.008 0.229 -18.721 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.502 -0.082 -20.397 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.886 -1.257 -19.118 1.00 0.00 H new ATOM 759 N LEU A 51 4.522 -2.889 -21.298 1.00 0.00 N ATOM 760 CA LEU A 51 5.610 -3.561 -21.933 1.00 0.00 C ATOM 761 C LEU A 51 5.728 -3.134 -23.378 1.00 0.00 C ATOM 762 O LEU A 51 4.766 -3.203 -24.149 1.00 0.00 O ATOM 763 CB LEU A 51 5.413 -5.078 -21.792 1.00 0.00 C ATOM 764 CG LEU A 51 6.582 -5.988 -22.190 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.407 -7.342 -21.545 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.650 -6.151 -23.692 1.00 0.00 C ATOM 0 H LEU A 51 3.597 -3.181 -21.613 1.00 0.00 H new ATOM 0 HA LEU A 51 6.548 -3.290 -21.448 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.163 -5.289 -20.752 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.548 -5.361 -22.392 1.00 0.00 H new ATOM 0 HG LEU A 51 7.510 -5.530 -21.848 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.237 -7.989 -21.827 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.387 -7.229 -20.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.470 -7.786 -21.880 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.487 -6.800 -23.950 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.722 -6.595 -24.052 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.791 -5.176 -24.158 1.00 0.00 H new ATOM 778 N LEU A 52 6.904 -2.685 -23.734 1.00 0.00 N ATOM 779 CA LEU A 52 7.184 -2.257 -25.077 1.00 0.00 C ATOM 780 C LEU A 52 7.997 -3.315 -25.788 1.00 0.00 C ATOM 781 O LEU A 52 8.945 -3.858 -25.216 1.00 0.00 O ATOM 782 CB LEU A 52 7.914 -0.902 -25.096 1.00 0.00 C ATOM 783 CG LEU A 52 7.148 0.331 -24.561 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.799 0.489 -25.247 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.991 0.293 -23.046 1.00 0.00 C ATOM 0 H LEU A 52 7.696 -2.606 -23.097 1.00 0.00 H new ATOM 0 HA LEU A 52 6.238 -2.121 -25.600 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.831 -1.006 -24.516 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.210 -0.694 -26.124 1.00 0.00 H new ATOM 0 HG LEU A 52 7.751 1.207 -24.802 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.288 1.365 -24.847 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.949 0.614 -26.319 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.193 -0.399 -25.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.448 1.178 -22.714 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.438 -0.601 -22.760 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.976 0.275 -22.579 1.00 0.00 H new ATOM 797 N GLU A 53 7.628 -3.612 -27.023 1.00 0.00 N ATOM 798 CA GLU A 53 8.271 -4.674 -27.792 1.00 0.00 C ATOM 799 C GLU A 53 9.730 -4.329 -28.070 1.00 0.00 C ATOM 800 O GLU A 53 10.605 -5.194 -28.022 1.00 0.00 O ATOM 801 CB GLU A 53 7.525 -4.914 -29.106 1.00 0.00 C ATOM 802 CG GLU A 53 6.123 -5.484 -28.932 1.00 0.00 C ATOM 803 CD GLU A 53 5.393 -5.673 -30.248 1.00 0.00 C ATOM 804 OE1 GLU A 53 6.014 -5.502 -31.323 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.180 -5.982 -30.230 1.00 0.00 O ATOM 0 H GLU A 53 6.880 -3.130 -27.521 1.00 0.00 H new ATOM 0 HA GLU A 53 8.238 -5.589 -27.201 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.457 -3.972 -29.650 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.109 -5.597 -29.723 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.188 -6.443 -28.418 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.543 -4.818 -28.293 1.00 0.00 H new ATOM 812 N ASN A 54 9.981 -3.056 -28.350 1.00 0.00 N ATOM 813 CA ASN A 54 11.339 -2.557 -28.571 1.00 0.00 C ATOM 814 C ASN A 54 12.175 -2.664 -27.311 1.00 0.00 C ATOM 815 O ASN A 54 13.389 -2.865 -27.378 1.00 0.00 O ATOM 816 CB ASN A 54 11.331 -1.100 -29.056 1.00 0.00 C ATOM 817 CG ASN A 54 11.076 -0.953 -30.545 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.499 -1.834 -31.189 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.507 0.165 -31.100 1.00 0.00 N ATOM 0 H ASN A 54 9.257 -2.342 -28.431 1.00 0.00 H new ATOM 0 HA ASN A 54 11.783 -3.182 -29.346 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.566 -0.549 -28.509 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.289 -0.641 -28.814 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.368 0.326 -32.098 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.979 0.868 -30.531 1.00 0.00 H new ATOM 826 N GLN A 55 11.522 -2.534 -26.164 1.00 0.00 N ATOM 827 CA GLN A 55 12.199 -2.561 -24.873 1.00 0.00 C ATOM 828 C GLN A 55 12.483 -3.980 -24.391 1.00 0.00 C ATOM 829 O GLN A 55 13.169 -4.174 -23.391 1.00 0.00 O ATOM 830 CB GLN A 55 11.453 -1.735 -23.826 1.00 0.00 C ATOM 831 CG GLN A 55 11.476 -0.242 -24.129 1.00 0.00 C ATOM 832 CD GLN A 55 10.680 0.596 -23.149 1.00 0.00 C ATOM 833 OE1 GLN A 55 10.471 0.214 -21.998 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.235 1.744 -23.601 1.00 0.00 N ATOM 0 H GLN A 55 10.512 -2.407 -26.101 1.00 0.00 H new ATOM 0 HA GLN A 55 13.171 -2.090 -25.020 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.419 -2.074 -23.771 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.898 -1.910 -22.847 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.510 0.103 -24.130 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.084 -0.079 -25.133 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.430 2.024 -24.562 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.694 2.357 -22.991 1.00 0.00 H new ATOM 843 N LEU A 56 11.927 -4.969 -25.089 1.00 0.00 N ATOM 844 CA LEU A 56 12.280 -6.356 -24.831 1.00 0.00 C ATOM 845 C LEU A 56 13.695 -6.589 -25.297 1.00 0.00 C ATOM 846 O LEU A 56 13.975 -6.489 -26.498 1.00 0.00 O ATOM 847 CB LEU A 56 11.341 -7.301 -25.581 1.00 0.00 C ATOM 848 CG LEU A 56 9.904 -7.356 -25.091 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.052 -8.162 -26.057 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.864 -7.981 -23.706 1.00 0.00 C ATOM 0 H LEU A 56 11.238 -4.834 -25.829 1.00 0.00 H new ATOM 0 HA LEU A 56 12.191 -6.554 -23.763 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.333 -7.011 -26.632 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.758 -8.307 -25.531 1.00 0.00 H new ATOM 0 HG LEU A 56 9.503 -6.344 -25.038 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.024 -8.195 -25.696 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.076 -7.694 -27.041 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.444 -9.177 -26.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.833 -8.021 -23.354 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.271 -8.991 -23.751 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.459 -7.380 -23.018 1.00 0.00 H new ATOM 862 N PHE A 57 14.571 -6.918 -24.350 1.00 0.00 N ATOM 863 CA PHE A 57 16.010 -7.032 -24.587 1.00 0.00 C ATOM 864 C PHE A 57 16.591 -5.645 -24.872 1.00 0.00 C ATOM 865 O PHE A 57 16.158 -4.964 -25.808 1.00 0.00 O ATOM 866 CB PHE A 57 16.323 -8.025 -25.731 1.00 0.00 C ATOM 867 CG PHE A 57 17.787 -8.172 -26.053 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.616 -8.927 -25.240 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.328 -7.562 -27.171 1.00 0.00 C ATOM 870 CE1 PHE A 57 19.959 -9.067 -25.535 1.00 0.00 C ATOM 871 CE2 PHE A 57 19.668 -7.698 -27.471 1.00 0.00 C ATOM 872 CZ PHE A 57 20.486 -8.451 -26.653 1.00 0.00 C ATOM 0 H PHE A 57 14.300 -7.115 -23.387 1.00 0.00 H new ATOM 0 HA PHE A 57 16.482 -7.434 -23.690 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.923 -9.003 -25.464 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.798 -7.701 -26.629 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.208 -9.412 -24.365 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.694 -6.972 -27.817 1.00 0.00 H new ATOM 0 HE1 PHE A 57 20.595 -9.657 -24.892 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.077 -7.215 -28.346 1.00 0.00 H new ATOM 0 HZ PHE A 57 21.535 -8.558 -26.887 1.00 0.00 H new ATOM 882 N PRO A 58 17.564 -5.192 -24.060 1.00 0.00 N ATOM 883 CA PRO A 58 18.161 -3.862 -24.229 1.00 0.00 C ATOM 884 C PRO A 58 18.721 -3.691 -25.633 1.00 0.00 C ATOM 885 O PRO A 58 19.429 -4.563 -26.150 1.00 0.00 O ATOM 886 CB PRO A 58 19.304 -3.863 -23.208 1.00 0.00 C ATOM 887 CG PRO A 58 18.881 -4.847 -22.179 1.00 0.00 C ATOM 888 CD PRO A 58 18.150 -5.921 -22.921 1.00 0.00 C ATOM 0 HA PRO A 58 17.443 -3.055 -24.085 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.248 -4.152 -23.669 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.450 -2.874 -22.775 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.742 -5.254 -21.649 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.239 -4.381 -21.432 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.822 -6.713 -23.251 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.384 -6.389 -22.303 1.00 0.00 H new ATOM 896 N ASP A 59 18.411 -2.574 -26.233 1.00 0.00 N ATOM 897 CA ASP A 59 18.766 -2.339 -27.609 1.00 0.00 C ATOM 898 C ASP A 59 20.144 -1.750 -27.712 1.00 0.00 C ATOM 899 O ASP A 59 20.399 -0.639 -27.250 1.00 0.00 O ATOM 900 CB ASP A 59 17.733 -1.433 -28.285 1.00 0.00 C ATOM 901 CG ASP A 59 18.026 -1.178 -29.750 1.00 0.00 C ATOM 902 OD1 ASP A 59 17.777 -2.075 -30.583 1.00 0.00 O ATOM 903 OD2 ASP A 59 18.507 -0.077 -30.086 1.00 0.00 O ATOM 0 H ASP A 59 17.909 -1.806 -25.788 1.00 0.00 H new ATOM 0 HA ASP A 59 18.770 -3.297 -28.129 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.746 -1.887 -28.193 1.00 0.00 H new ATOM 0 HB3 ASP A 59 17.696 -0.480 -27.758 1.00 0.00 H new ATOM 908 N ASN A 60 21.036 -2.518 -28.267 1.00 0.00 N ATOM 909 CA ASN A 60 22.369 -2.062 -28.555 1.00 0.00 C ATOM 910 C ASN A 60 22.423 -1.660 -30.011 1.00 0.00 C ATOM 911 O ASN A 60 21.818 -2.321 -30.862 1.00 0.00 O ATOM 912 CB ASN A 60 23.387 -3.166 -28.256 1.00 0.00 C ATOM 913 CG ASN A 60 24.829 -2.747 -28.506 1.00 0.00 C ATOM 914 OD1 ASN A 60 25.187 -1.571 -28.403 1.00 0.00 O ATOM 915 ND2 ASN A 60 25.662 -3.705 -28.834 1.00 0.00 N ATOM 0 H ASN A 60 20.860 -3.486 -28.535 1.00 0.00 H new ATOM 0 HA ASN A 60 22.620 -1.207 -27.927 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.282 -3.474 -27.216 1.00 0.00 H new ATOM 0 HB3 ASN A 60 23.158 -4.036 -28.871 1.00 0.00 H new ATOM 0 HD21 ASN A 60 26.643 -3.489 -29.014 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.329 -4.666 -28.910 1.00 0.00 H new ATOM 922 N PHE A 61 23.127 -0.585 -30.293 1.00 0.00 N ATOM 923 CA PHE A 61 23.176 -0.012 -31.626 1.00 0.00 C ATOM 924 C PHE A 61 23.738 -1.013 -32.637 1.00 0.00 C ATOM 925 O PHE A 61 23.188 -1.184 -33.726 1.00 0.00 O ATOM 926 CB PHE A 61 23.988 1.289 -31.606 1.00 0.00 C ATOM 927 CG PHE A 61 24.025 2.031 -32.911 1.00 0.00 C ATOM 928 CD1 PHE A 61 22.911 2.723 -33.358 1.00 0.00 C ATOM 929 CD2 PHE A 61 25.170 2.042 -33.687 1.00 0.00 C ATOM 930 CE1 PHE A 61 22.937 3.412 -34.554 1.00 0.00 C ATOM 931 CE2 PHE A 61 25.203 2.730 -34.881 1.00 0.00 C ATOM 932 CZ PHE A 61 24.084 3.416 -35.316 1.00 0.00 C ATOM 0 H PHE A 61 23.684 -0.080 -29.604 1.00 0.00 H new ATOM 0 HA PHE A 61 22.161 0.224 -31.944 1.00 0.00 H new ATOM 0 HB2 PHE A 61 23.574 1.947 -30.842 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.010 1.058 -31.307 1.00 0.00 H new ATOM 0 HD1 PHE A 61 22.010 2.723 -32.763 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.047 1.506 -33.354 1.00 0.00 H new ATOM 0 HE1 PHE A 61 22.061 3.946 -34.891 1.00 0.00 H new ATOM 0 HE2 PHE A 61 26.104 2.733 -35.477 1.00 0.00 H new ATOM 0 HZ PHE A 61 24.110 3.954 -36.252 1.00 0.00 H new ATOM 942 N ALA A 62 24.816 -1.678 -32.279 1.00 0.00 N ATOM 943 CA ALA A 62 25.388 -2.687 -33.148 1.00 0.00 C ATOM 944 C ALA A 62 24.825 -4.064 -32.811 1.00 0.00 C ATOM 945 O ALA A 62 25.093 -4.615 -31.739 1.00 0.00 O ATOM 946 CB ALA A 62 26.904 -2.682 -33.054 1.00 0.00 C ATOM 0 H ALA A 62 25.312 -1.540 -31.398 1.00 0.00 H new ATOM 0 HA ALA A 62 25.115 -2.450 -34.176 1.00 0.00 H new ATOM 0 HB1 ALA A 62 27.312 -3.447 -33.714 1.00 0.00 H new ATOM 0 HB2 ALA A 62 27.284 -1.705 -33.352 1.00 0.00 H new ATOM 0 HB3 ALA A 62 27.206 -2.890 -32.027 1.00 0.00 H new ATOM 952 N LYS A 63 24.048 -4.610 -33.710 1.00 0.00 N ATOM 953 CA LYS A 63 23.437 -5.906 -33.513 1.00 0.00 C ATOM 954 C LYS A 63 23.604 -6.727 -34.776 1.00 0.00 C ATOM 955 O LYS A 63 24.420 -7.661 -34.776 1.00 0.00 O ATOM 956 CB LYS A 63 21.947 -5.751 -33.152 1.00 0.00 C ATOM 957 CG LYS A 63 21.197 -7.062 -32.895 1.00 0.00 C ATOM 958 CD LYS A 63 21.728 -7.797 -31.671 1.00 0.00 C ATOM 959 CE LYS A 63 20.878 -9.026 -31.341 1.00 0.00 C ATOM 960 NZ LYS A 63 20.934 -10.067 -32.402 1.00 0.00 N ATOM 961 OXT LYS A 63 22.948 -6.403 -35.788 1.00 0.00 O ATOM 0 H LYS A 63 23.819 -4.171 -34.602 1.00 0.00 H new ATOM 0 HA LYS A 63 23.926 -6.419 -32.685 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.869 -5.126 -32.262 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.447 -5.218 -33.961 1.00 0.00 H new ATOM 0 HG2 LYS A 63 20.136 -6.851 -32.759 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.284 -7.706 -33.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.759 -8.104 -31.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.739 -7.121 -30.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.219 -9.455 -30.399 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.843 -8.718 -31.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.382 -10.897 -32.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.537 -9.685 -33.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.923 -10.348 -32.561 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.002 -18.954 -22.629 1.00 0.00 ZN HETATM 977 ZN ZN A 66 7.100 -6.637 -15.273 1.00 0.00 ZN