USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 841 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -123:sc= -4.36! (180deg=-7.89!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0.829) USER MOD Single : A 30 THR OG1 : rot 33:sc= 0.959 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.449 (180deg=-0.965) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.2) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 86:sc= -0.0256 USER MOD Single : A 44 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.56) USER MOD Single : A 45 MET CE :methyl 165:sc= -8.53! (180deg=-10.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00373 X(o=-0.0037,f=-0.23) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -34:sc= -0.974 USER MOD Single : A 53 THR OG1 : rot -88:sc= -0.175! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.271 F(o=-2.2,f=-0.27) USER MOD Single : A 66 CYS SG : rot -2:sc= -4.74! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.432 (180deg=-1.18) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.1!) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00536) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.049 -6.240 -17.487 1.00 0.00 N ATOM 2 CA GLY A 1 -7.312 -6.806 -16.175 1.00 0.00 C ATOM 3 C GLY A 1 -8.029 -8.153 -16.292 1.00 0.00 C ATOM 4 O GLY A 1 -8.982 -8.289 -17.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.562 -5.327 -17.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.448 -6.891 -18.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.948 -6.096 -17.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.373 -6.935 -15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.921 -6.115 -15.593 1.00 0.00 H new ATOM 8 N SER A 2 -7.542 -9.115 -15.522 1.00 0.00 N ATOM 9 CA SER A 2 -8.124 -10.447 -15.530 1.00 0.00 C ATOM 10 C SER A 2 -7.435 -11.325 -14.484 1.00 0.00 C ATOM 11 O SER A 2 -6.208 -11.369 -14.416 1.00 0.00 O ATOM 12 CB SER A 2 -8.016 -11.087 -16.916 1.00 0.00 C ATOM 13 OG SER A 2 -8.542 -12.411 -16.935 1.00 0.00 O ATOM 0 H SER A 2 -6.751 -8.999 -14.888 1.00 0.00 H new ATOM 0 HA SER A 2 -9.182 -10.360 -15.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.551 -10.474 -17.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.971 -11.108 -17.225 1.00 0.00 H new ATOM 0 HG SER A 2 -8.456 -12.784 -17.837 1.00 0.00 H new ATOM 19 N SER A 3 -8.255 -12.003 -13.695 1.00 0.00 N ATOM 20 CA SER A 3 -7.740 -12.878 -12.655 1.00 0.00 C ATOM 21 C SER A 3 -8.660 -14.089 -12.487 1.00 0.00 C ATOM 22 O SER A 3 -8.223 -15.230 -12.627 1.00 0.00 O ATOM 23 CB SER A 3 -7.597 -12.131 -11.327 1.00 0.00 C ATOM 24 OG SER A 3 -6.404 -12.492 -10.638 1.00 0.00 O ATOM 0 H SER A 3 -9.273 -11.964 -13.755 1.00 0.00 H new ATOM 0 HA SER A 3 -6.750 -13.221 -12.956 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.597 -11.057 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.459 -12.345 -10.696 1.00 0.00 H new ATOM 0 HG SER A 3 -6.348 -11.993 -9.796 1.00 0.00 H new ATOM 30 N GLY A 4 -9.919 -13.799 -12.189 1.00 0.00 N ATOM 31 CA GLY A 4 -10.904 -14.850 -12.000 1.00 0.00 C ATOM 32 C GLY A 4 -11.198 -15.065 -10.513 1.00 0.00 C ATOM 33 O GLY A 4 -10.672 -15.994 -9.901 1.00 0.00 O ATOM 0 H GLY A 4 -10.279 -12.851 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.824 -14.589 -12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.540 -15.778 -12.440 1.00 0.00 H new ATOM 37 N SER A 5 -12.037 -14.192 -9.976 1.00 0.00 N ATOM 38 CA SER A 5 -12.406 -14.275 -8.573 1.00 0.00 C ATOM 39 C SER A 5 -13.869 -13.864 -8.393 1.00 0.00 C ATOM 40 O SER A 5 -14.332 -12.912 -9.018 1.00 0.00 O ATOM 41 CB SER A 5 -11.498 -13.396 -7.711 1.00 0.00 C ATOM 42 OG SER A 5 -11.828 -12.014 -7.825 1.00 0.00 O ATOM 0 H SER A 5 -12.472 -13.424 -10.487 1.00 0.00 H new ATOM 0 HA SER A 5 -12.282 -15.308 -8.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.579 -13.703 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.460 -13.547 -8.008 1.00 0.00 H new ATOM 0 HG SER A 5 -11.227 -11.486 -7.259 1.00 0.00 H new ATOM 48 N SER A 6 -14.556 -14.604 -7.535 1.00 0.00 N ATOM 49 CA SER A 6 -15.957 -14.330 -7.264 1.00 0.00 C ATOM 50 C SER A 6 -16.091 -13.514 -5.977 1.00 0.00 C ATOM 51 O SER A 6 -15.980 -14.058 -4.879 1.00 0.00 O ATOM 52 CB SER A 6 -16.762 -15.626 -7.158 1.00 0.00 C ATOM 53 OG SER A 6 -17.514 -15.887 -8.340 1.00 0.00 O ATOM 0 H SER A 6 -14.168 -15.393 -7.018 1.00 0.00 H new ATOM 0 HA SER A 6 -16.359 -13.752 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.085 -16.459 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.438 -15.564 -6.305 1.00 0.00 H new ATOM 0 HG SER A 6 -18.012 -16.724 -8.232 1.00 0.00 H new ATOM 59 N GLY A 7 -16.329 -12.223 -6.154 1.00 0.00 N ATOM 60 CA GLY A 7 -16.479 -11.327 -5.019 1.00 0.00 C ATOM 61 C GLY A 7 -15.389 -10.253 -5.021 1.00 0.00 C ATOM 62 O GLY A 7 -14.941 -9.820 -6.081 1.00 0.00 O ATOM 0 H GLY A 7 -16.422 -11.776 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.461 -10.854 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.431 -11.898 -4.092 1.00 0.00 H new ATOM 66 N MET A 8 -14.995 -9.854 -3.820 1.00 0.00 N ATOM 67 CA MET A 8 -13.966 -8.839 -3.670 1.00 0.00 C ATOM 68 C MET A 8 -12.628 -9.468 -3.278 1.00 0.00 C ATOM 69 O MET A 8 -12.501 -10.042 -2.197 1.00 0.00 O ATOM 70 CB MET A 8 -14.393 -7.835 -2.597 1.00 0.00 C ATOM 71 CG MET A 8 -13.628 -6.518 -2.743 1.00 0.00 C ATOM 72 SD MET A 8 -12.279 -6.463 -1.575 1.00 0.00 S ATOM 73 CE MET A 8 -12.894 -5.221 -0.450 1.00 0.00 C ATOM 0 H MET A 8 -15.370 -10.215 -2.943 1.00 0.00 H new ATOM 0 HA MET A 8 -13.840 -8.331 -4.626 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.464 -7.648 -2.674 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.214 -8.256 -1.608 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.245 -6.421 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.300 -5.677 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.169 -5.062 0.348 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.051 -4.287 -0.990 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.838 -5.555 -0.020 1.00 0.00 H new ATOM 83 N GLY A 9 -11.664 -9.339 -4.177 1.00 0.00 N ATOM 84 CA GLY A 9 -10.340 -9.888 -3.939 1.00 0.00 C ATOM 85 C GLY A 9 -9.405 -8.830 -3.350 1.00 0.00 C ATOM 86 O GLY A 9 -9.862 -7.856 -2.754 1.00 0.00 O ATOM 0 H GLY A 9 -11.773 -8.862 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.411 -10.736 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.925 -10.265 -4.874 1.00 0.00 H new ATOM 90 N LEU A 10 -8.113 -9.056 -3.538 1.00 0.00 N ATOM 91 CA LEU A 10 -7.110 -8.134 -3.033 1.00 0.00 C ATOM 92 C LEU A 10 -6.639 -7.227 -4.171 1.00 0.00 C ATOM 93 O LEU A 10 -6.647 -6.004 -4.039 1.00 0.00 O ATOM 94 CB LEU A 10 -5.977 -8.899 -2.347 1.00 0.00 C ATOM 95 CG LEU A 10 -4.831 -8.047 -1.795 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.038 -7.747 -0.309 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.478 -8.708 -2.064 1.00 0.00 C ATOM 0 H LEU A 10 -7.738 -9.865 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.537 -7.488 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.401 -9.478 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.563 -9.612 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.832 -7.091 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.210 -7.141 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.973 -7.204 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.078 -8.683 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.681 -8.082 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.449 -9.686 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.339 -8.827 -3.138 1.00 0.00 H new ATOM 109 N GLU A 11 -6.241 -7.860 -5.265 1.00 0.00 N ATOM 110 CA GLU A 11 -5.768 -7.125 -6.425 1.00 0.00 C ATOM 111 C GLU A 11 -6.737 -5.992 -6.767 1.00 0.00 C ATOM 112 O GLU A 11 -6.386 -4.818 -6.665 1.00 0.00 O ATOM 113 CB GLU A 11 -5.571 -8.058 -7.622 1.00 0.00 C ATOM 114 CG GLU A 11 -4.514 -7.504 -8.580 1.00 0.00 C ATOM 115 CD GLU A 11 -3.865 -8.629 -9.389 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.799 -9.753 -8.847 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.448 -8.339 -10.532 1.00 0.00 O ATOM 0 H GLU A 11 -6.237 -8.874 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.799 -6.688 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.269 -9.045 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.516 -8.183 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.973 -6.783 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.750 -6.970 -8.015 1.00 0.00 H new ATOM 124 N GLU A 12 -7.938 -6.384 -7.167 1.00 0.00 N ATOM 125 CA GLU A 12 -8.961 -5.415 -7.525 1.00 0.00 C ATOM 126 C GLU A 12 -9.062 -4.329 -6.452 1.00 0.00 C ATOM 127 O GLU A 12 -9.356 -3.175 -6.758 1.00 0.00 O ATOM 128 CB GLU A 12 -10.312 -6.099 -7.741 1.00 0.00 C ATOM 129 CG GLU A 12 -10.475 -6.544 -9.196 1.00 0.00 C ATOM 130 CD GLU A 12 -11.936 -6.875 -9.508 1.00 0.00 C ATOM 131 OE1 GLU A 12 -12.516 -7.665 -8.733 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.438 -6.331 -10.515 1.00 0.00 O ATOM 0 H GLU A 12 -8.226 -7.359 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.675 -4.944 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.396 -6.963 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.117 -5.414 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.127 -5.755 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.852 -7.418 -9.385 1.00 0.00 H new ATOM 139 N GLU A 13 -8.811 -4.737 -5.217 1.00 0.00 N ATOM 140 CA GLU A 13 -8.870 -3.813 -4.097 1.00 0.00 C ATOM 141 C GLU A 13 -7.650 -2.890 -4.105 1.00 0.00 C ATOM 142 O GLU A 13 -7.772 -1.691 -3.864 1.00 0.00 O ATOM 143 CB GLU A 13 -8.979 -4.566 -2.769 1.00 0.00 C ATOM 144 CG GLU A 13 -8.403 -3.737 -1.620 1.00 0.00 C ATOM 145 CD GLU A 13 -9.214 -2.457 -1.408 1.00 0.00 C ATOM 146 OE1 GLU A 13 -9.676 -1.902 -2.428 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.353 -2.062 -0.230 1.00 0.00 O ATOM 0 H GLU A 13 -8.566 -5.695 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.765 -3.201 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.024 -4.801 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.447 -5.515 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.404 -4.328 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.365 -3.483 -1.835 1.00 0.00 H new ATOM 154 N LEU A 14 -6.500 -3.486 -4.386 1.00 0.00 N ATOM 155 CA LEU A 14 -5.258 -2.732 -4.429 1.00 0.00 C ATOM 156 C LEU A 14 -5.317 -1.725 -5.579 1.00 0.00 C ATOM 157 O LEU A 14 -5.031 -0.544 -5.390 1.00 0.00 O ATOM 158 CB LEU A 14 -4.059 -3.680 -4.502 1.00 0.00 C ATOM 159 CG LEU A 14 -3.770 -4.495 -3.240 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.682 -5.538 -3.498 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.420 -3.580 -2.064 1.00 0.00 C ATOM 0 H LEU A 14 -6.402 -4.481 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.127 -2.160 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.218 -4.372 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.172 -3.094 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.676 -5.036 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.496 -6.103 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.009 -6.217 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.765 -5.038 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.219 -4.185 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.535 -2.993 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.256 -2.910 -1.863 1.00 0.00 H new ATOM 173 N LEU A 15 -5.690 -2.230 -6.746 1.00 0.00 N ATOM 174 CA LEU A 15 -5.790 -1.389 -7.927 1.00 0.00 C ATOM 175 C LEU A 15 -6.747 -0.230 -7.643 1.00 0.00 C ATOM 176 O LEU A 15 -6.470 0.912 -8.006 1.00 0.00 O ATOM 177 CB LEU A 15 -6.181 -2.224 -9.148 1.00 0.00 C ATOM 178 CG LEU A 15 -5.166 -3.279 -9.592 1.00 0.00 C ATOM 179 CD1 LEU A 15 -5.861 -4.596 -9.944 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.305 -2.759 -10.746 1.00 0.00 C ATOM 0 H LEU A 15 -5.926 -3.210 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.821 -0.951 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.125 -2.724 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.361 -1.547 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.497 -3.482 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.116 -5.328 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.394 -4.971 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.568 -4.428 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.592 -3.528 -11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.944 -2.510 -11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.765 -1.868 -10.425 1.00 0.00 H new ATOM 192 N ARG A 16 -7.854 -0.563 -6.996 1.00 0.00 N ATOM 193 CA ARG A 16 -8.854 0.436 -6.659 1.00 0.00 C ATOM 194 C ARG A 16 -8.223 1.562 -5.838 1.00 0.00 C ATOM 195 O ARG A 16 -8.500 2.737 -6.074 1.00 0.00 O ATOM 196 CB ARG A 16 -10.005 -0.183 -5.862 1.00 0.00 C ATOM 197 CG ARG A 16 -11.123 -0.657 -6.793 1.00 0.00 C ATOM 198 CD ARG A 16 -12.485 -0.568 -6.102 1.00 0.00 C ATOM 199 NE ARG A 16 -13.116 -1.905 -6.053 1.00 0.00 N ATOM 200 CZ ARG A 16 -14.427 -2.111 -5.861 1.00 0.00 C ATOM 201 NH1 ARG A 16 -15.252 -1.069 -5.698 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.911 -3.360 -5.831 1.00 0.00 N ATOM 0 H ARG A 16 -8.081 -1.511 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.248 0.838 -7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.635 -1.023 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.399 0.549 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.130 -0.050 -7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.934 -1.685 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.365 -0.176 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.130 0.128 -6.639 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.516 -2.721 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.883 -0.118 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.249 -1.226 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.282 -4.154 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.908 -3.517 -5.685 1.00 0.00 H new ATOM 216 N ILE A 17 -7.387 1.164 -4.890 1.00 0.00 N ATOM 217 CA ILE A 17 -6.714 2.125 -4.033 1.00 0.00 C ATOM 218 C ILE A 17 -5.851 3.051 -4.892 1.00 0.00 C ATOM 219 O ILE A 17 -6.129 4.245 -4.998 1.00 0.00 O ATOM 220 CB ILE A 17 -5.936 1.407 -2.930 1.00 0.00 C ATOM 221 CG1 ILE A 17 -6.868 0.964 -1.800 1.00 0.00 C ATOM 222 CG2 ILE A 17 -4.785 2.275 -2.416 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.518 -0.446 -1.321 1.00 0.00 C ATOM 0 H ILE A 17 -7.160 0.188 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.442 2.753 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.495 0.506 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.794 1.664 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.901 0.988 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.248 1.741 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.103 2.498 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.183 3.206 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.195 -0.736 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.617 -1.147 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.492 -0.461 -0.953 1.00 0.00 H new ATOM 235 N ALA A 18 -4.820 2.465 -5.484 1.00 0.00 N ATOM 236 CA ALA A 18 -3.914 3.223 -6.331 1.00 0.00 C ATOM 237 C ALA A 18 -4.724 4.165 -7.223 1.00 0.00 C ATOM 238 O ALA A 18 -4.559 5.382 -7.159 1.00 0.00 O ATOM 239 CB ALA A 18 -3.043 2.258 -7.139 1.00 0.00 C ATOM 0 H ALA A 18 -4.592 1.475 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.246 3.836 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.363 2.826 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.466 1.632 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.679 1.627 -7.760 1.00 0.00 H new ATOM 245 N LYS A 19 -5.582 3.566 -8.036 1.00 0.00 N ATOM 246 CA LYS A 19 -6.418 4.336 -8.941 1.00 0.00 C ATOM 247 C LYS A 19 -6.979 5.552 -8.200 1.00 0.00 C ATOM 248 O LYS A 19 -7.107 6.630 -8.778 1.00 0.00 O ATOM 249 CB LYS A 19 -7.494 3.445 -9.565 1.00 0.00 C ATOM 250 CG LYS A 19 -6.997 2.815 -10.867 1.00 0.00 C ATOM 251 CD LYS A 19 -8.131 2.698 -11.888 1.00 0.00 C ATOM 252 CE LYS A 19 -8.619 1.252 -12.002 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.650 1.135 -13.057 1.00 0.00 N ATOM 0 H LYS A 19 -5.716 2.556 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.828 4.715 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.775 2.661 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.390 4.034 -9.761 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.190 3.419 -11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.584 1.827 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.959 3.343 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.786 3.047 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.780 0.596 -12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.029 0.924 -11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.970 0.148 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.458 1.747 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.247 1.428 -13.970 1.00 0.00 H new ATOM 267 N LYS A 20 -7.298 5.336 -6.932 1.00 0.00 N ATOM 268 CA LYS A 20 -7.842 6.401 -6.106 1.00 0.00 C ATOM 269 C LYS A 20 -6.748 7.433 -5.827 1.00 0.00 C ATOM 270 O LYS A 20 -6.939 8.625 -6.064 1.00 0.00 O ATOM 271 CB LYS A 20 -8.481 5.824 -4.842 1.00 0.00 C ATOM 272 CG LYS A 20 -9.998 6.020 -4.856 1.00 0.00 C ATOM 273 CD LYS A 20 -10.556 6.084 -3.432 1.00 0.00 C ATOM 274 CE LYS A 20 -11.000 7.506 -3.081 1.00 0.00 C ATOM 275 NZ LYS A 20 -12.147 7.474 -2.147 1.00 0.00 N ATOM 0 H LYS A 20 -7.190 4.440 -6.457 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.643 6.920 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.249 4.762 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.056 6.308 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.245 6.938 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.469 5.200 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.401 5.402 -3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.797 5.751 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.171 8.051 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.277 8.041 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.436 8.447 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.942 6.972 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.870 6.981 -1.274 1.00 0.00 H new ATOM 289 N LEU A 21 -5.625 6.938 -5.327 1.00 0.00 N ATOM 290 CA LEU A 21 -4.501 7.803 -5.012 1.00 0.00 C ATOM 291 C LEU A 21 -4.051 8.529 -6.282 1.00 0.00 C ATOM 292 O LEU A 21 -4.018 9.758 -6.319 1.00 0.00 O ATOM 293 CB LEU A 21 -3.386 7.006 -4.332 1.00 0.00 C ATOM 294 CG LEU A 21 -3.771 6.281 -3.041 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.890 5.050 -2.820 1.00 0.00 C ATOM 296 CD2 LEU A 21 -3.736 7.234 -1.845 1.00 0.00 C ATOM 0 H LEU A 21 -5.470 5.949 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.798 8.568 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.009 6.269 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.563 7.686 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.798 5.928 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.185 4.553 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.010 4.362 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.847 5.357 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.014 6.693 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.730 7.639 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.439 8.051 -2.010 1.00 0.00 H new ATOM 308 N GLU A 22 -3.716 7.738 -7.290 1.00 0.00 N ATOM 309 CA GLU A 22 -3.269 8.291 -8.558 1.00 0.00 C ATOM 310 C GLU A 22 -4.105 9.518 -8.926 1.00 0.00 C ATOM 311 O GLU A 22 -3.585 10.485 -9.480 1.00 0.00 O ATOM 312 CB GLU A 22 -3.326 7.237 -9.666 1.00 0.00 C ATOM 313 CG GLU A 22 -2.384 6.070 -9.361 1.00 0.00 C ATOM 314 CD GLU A 22 -0.921 6.507 -9.456 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.490 7.249 -8.547 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.267 6.090 -10.436 1.00 0.00 O ATOM 0 H GLU A 22 -3.745 6.719 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.230 8.602 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.346 6.868 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.053 7.690 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.588 5.685 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.570 5.255 -10.061 1.00 0.00 H new ATOM 323 N LYS A 23 -5.388 9.439 -8.603 1.00 0.00 N ATOM 324 CA LYS A 23 -6.301 10.532 -8.893 1.00 0.00 C ATOM 325 C LYS A 23 -6.035 11.684 -7.922 1.00 0.00 C ATOM 326 O LYS A 23 -5.767 12.808 -8.345 1.00 0.00 O ATOM 327 CB LYS A 23 -7.749 10.038 -8.879 1.00 0.00 C ATOM 328 CG LYS A 23 -8.728 11.208 -8.995 1.00 0.00 C ATOM 329 CD LYS A 23 -9.117 11.455 -10.454 1.00 0.00 C ATOM 330 CE LYS A 23 -10.346 10.631 -10.841 1.00 0.00 C ATOM 331 NZ LYS A 23 -10.433 10.489 -12.312 1.00 0.00 N ATOM 0 H LYS A 23 -5.817 8.635 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.129 10.916 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.908 9.343 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.941 9.489 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.622 10.999 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.276 12.108 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.323 12.515 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.282 11.197 -11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.291 9.646 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.248 11.112 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.273 9.927 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.507 11.430 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.580 10.010 -12.666 1.00 0.00 H new ATOM 345 N MET A 24 -6.119 11.366 -6.639 1.00 0.00 N ATOM 346 CA MET A 24 -5.890 12.361 -5.604 1.00 0.00 C ATOM 347 C MET A 24 -4.606 13.147 -5.874 1.00 0.00 C ATOM 348 O MET A 24 -4.576 14.367 -5.717 1.00 0.00 O ATOM 349 CB MET A 24 -5.789 11.668 -4.243 1.00 0.00 C ATOM 350 CG MET A 24 -7.155 11.154 -3.787 1.00 0.00 C ATOM 351 SD MET A 24 -7.054 9.415 -3.397 1.00 0.00 S ATOM 352 CE MET A 24 -6.842 9.507 -1.627 1.00 0.00 C ATOM 0 H MET A 24 -6.342 10.433 -6.292 1.00 0.00 H new ATOM 0 HA MET A 24 -6.727 13.059 -5.605 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.086 10.837 -4.305 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.394 12.365 -3.504 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.489 11.712 -2.913 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.894 11.317 -4.571 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.923 8.994 -1.343 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.783 10.552 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.690 9.032 -1.134 1.00 0.00 H new ATOM 362 N VAL A 25 -3.576 12.417 -6.276 1.00 0.00 N ATOM 363 CA VAL A 25 -2.292 13.031 -6.569 1.00 0.00 C ATOM 364 C VAL A 25 -2.449 13.993 -7.749 1.00 0.00 C ATOM 365 O VAL A 25 -2.199 15.190 -7.616 1.00 0.00 O ATOM 366 CB VAL A 25 -1.239 11.949 -6.816 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.119 12.572 -7.147 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.132 11.005 -5.617 1.00 0.00 C ATOM 0 H VAL A 25 -3.605 11.406 -6.406 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.945 13.615 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.557 11.361 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.850 11.782 -7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.029 13.184 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.446 13.195 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.377 10.245 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.848 11.573 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.095 10.523 -5.446 1.00 0.00 H new ATOM 378 N SER A 26 -2.863 13.433 -8.876 1.00 0.00 N ATOM 379 CA SER A 26 -3.056 14.226 -10.078 1.00 0.00 C ATOM 380 C SER A 26 -3.771 15.534 -9.733 1.00 0.00 C ATOM 381 O SER A 26 -3.331 16.610 -10.133 1.00 0.00 O ATOM 382 CB SER A 26 -3.850 13.448 -11.130 1.00 0.00 C ATOM 383 OG SER A 26 -3.906 14.138 -12.375 1.00 0.00 O ATOM 0 H SER A 26 -3.070 12.440 -8.982 1.00 0.00 H new ATOM 0 HA SER A 26 -2.076 14.455 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.393 12.469 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.863 13.275 -10.765 1.00 0.00 H new ATOM 0 HG SER A 26 -4.420 13.608 -13.020 1.00 0.00 H new ATOM 389 N ARG A 27 -4.862 15.397 -8.994 1.00 0.00 N ATOM 390 CA ARG A 27 -5.643 16.554 -8.591 1.00 0.00 C ATOM 391 C ARG A 27 -4.867 17.387 -7.569 1.00 0.00 C ATOM 392 O ARG A 27 -5.044 18.602 -7.491 1.00 0.00 O ATOM 393 CB ARG A 27 -6.982 16.131 -7.983 1.00 0.00 C ATOM 394 CG ARG A 27 -7.591 14.962 -8.759 1.00 0.00 C ATOM 395 CD ARG A 27 -9.009 15.295 -9.228 1.00 0.00 C ATOM 396 NE ARG A 27 -9.960 14.276 -8.730 1.00 0.00 N ATOM 397 CZ ARG A 27 -10.307 14.137 -7.444 1.00 0.00 C ATOM 398 NH1 ARG A 27 -9.785 14.952 -6.517 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.177 13.184 -7.084 1.00 0.00 N ATOM 0 H ARG A 27 -5.224 14.502 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.835 17.151 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.838 15.845 -6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.671 16.975 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.965 14.727 -9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.612 14.073 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.298 16.282 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.041 15.333 -10.317 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.377 13.640 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.123 15.678 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.049 14.846 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.575 12.564 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.441 13.078 -6.104 1.00 0.00 H new ATOM 413 N LYS A 28 -4.025 16.701 -6.811 1.00 0.00 N ATOM 414 CA LYS A 28 -3.221 17.363 -5.797 1.00 0.00 C ATOM 415 C LYS A 28 -4.118 17.768 -4.625 1.00 0.00 C ATOM 416 O LYS A 28 -4.445 18.943 -4.466 1.00 0.00 O ATOM 417 CB LYS A 28 -2.443 18.530 -6.407 1.00 0.00 C ATOM 418 CG LYS A 28 -0.940 18.369 -6.174 1.00 0.00 C ATOM 419 CD LYS A 28 -0.141 18.876 -7.376 1.00 0.00 C ATOM 420 CE LYS A 28 0.003 20.399 -7.335 1.00 0.00 C ATOM 421 NZ LYS A 28 -0.171 20.973 -8.688 1.00 0.00 N ATOM 0 H LYS A 28 -3.882 15.693 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.469 16.680 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.645 18.586 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.784 19.468 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.646 18.919 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.707 17.320 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.846 18.414 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.638 18.579 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.738 20.822 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.984 20.667 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.070 22.007 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.551 20.583 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.117 20.733 -9.048 1.00 0.00 H new ATOM 435 N LYS A 29 -4.492 16.771 -3.836 1.00 0.00 N ATOM 436 CA LYS A 29 -5.345 17.009 -2.684 1.00 0.00 C ATOM 437 C LYS A 29 -5.107 15.912 -1.644 1.00 0.00 C ATOM 438 O LYS A 29 -4.769 16.202 -0.497 1.00 0.00 O ATOM 439 CB LYS A 29 -6.806 17.139 -3.117 1.00 0.00 C ATOM 440 CG LYS A 29 -7.340 18.544 -2.830 1.00 0.00 C ATOM 441 CD LYS A 29 -7.781 18.676 -1.371 1.00 0.00 C ATOM 442 CE LYS A 29 -8.583 19.961 -1.155 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.788 20.207 0.290 1.00 0.00 N ATOM 0 H LYS A 29 -4.220 15.797 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.091 17.958 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.894 16.923 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.412 16.401 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.568 19.282 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.181 18.759 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.386 17.814 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.906 18.676 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.057 20.804 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.547 19.884 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.533 20.921 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.073 19.322 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.902 20.551 0.713 1.00 0.00 H new ATOM 457 N THR A 30 -5.292 14.676 -2.081 1.00 0.00 N ATOM 458 CA THR A 30 -5.102 13.534 -1.203 1.00 0.00 C ATOM 459 C THR A 30 -5.586 13.863 0.211 1.00 0.00 C ATOM 460 O THR A 30 -4.818 14.357 1.035 1.00 0.00 O ATOM 461 CB THR A 30 -3.627 13.132 -1.262 1.00 0.00 C ATOM 462 OG1 THR A 30 -2.933 14.292 -0.810 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.131 12.936 -2.696 1.00 0.00 C ATOM 0 H THR A 30 -5.572 14.440 -3.033 1.00 0.00 H new ATOM 0 HA THR A 30 -5.699 12.682 -1.528 1.00 0.00 H new ATOM 0 HB THR A 30 -3.479 12.211 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.478 14.761 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.079 12.652 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.713 12.150 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.248 13.866 -3.252 1.00 0.00 H new ATOM 471 N GLU A 31 -6.857 13.575 0.449 1.00 0.00 N ATOM 472 CA GLU A 31 -7.453 13.834 1.749 1.00 0.00 C ATOM 473 C GLU A 31 -7.771 12.517 2.459 1.00 0.00 C ATOM 474 O GLU A 31 -7.638 12.417 3.678 1.00 0.00 O ATOM 475 CB GLU A 31 -8.706 14.701 1.615 1.00 0.00 C ATOM 476 CG GLU A 31 -8.362 16.186 1.748 1.00 0.00 C ATOM 477 CD GLU A 31 -9.631 17.035 1.856 1.00 0.00 C ATOM 478 OE1 GLU A 31 -10.489 16.669 2.688 1.00 0.00 O ATOM 479 OE2 GLU A 31 -9.713 18.030 1.104 1.00 0.00 O ATOM 0 H GLU A 31 -7.491 13.165 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.733 14.385 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.177 14.518 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.430 14.422 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.740 16.341 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.778 16.506 0.885 1.00 0.00 H new ATOM 486 N GLY A 32 -8.185 11.539 1.666 1.00 0.00 N ATOM 487 CA GLY A 32 -8.522 10.232 2.204 1.00 0.00 C ATOM 488 C GLY A 32 -7.454 9.198 1.843 1.00 0.00 C ATOM 489 O GLY A 32 -7.777 8.084 1.432 1.00 0.00 O ATOM 0 H GLY A 32 -8.295 11.626 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.620 10.295 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.489 9.913 1.814 1.00 0.00 H new ATOM 493 N ALA A 33 -6.204 9.603 2.011 1.00 0.00 N ATOM 494 CA ALA A 33 -5.086 8.726 1.708 1.00 0.00 C ATOM 495 C ALA A 33 -4.955 7.674 2.812 1.00 0.00 C ATOM 496 O ALA A 33 -4.846 6.482 2.528 1.00 0.00 O ATOM 497 CB ALA A 33 -3.813 9.558 1.542 1.00 0.00 C ATOM 0 H ALA A 33 -5.941 10.527 2.353 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.256 8.200 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.975 8.899 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.947 10.269 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.609 10.099 2.466 1.00 0.00 H new ATOM 503 N LEU A 34 -4.971 8.154 4.047 1.00 0.00 N ATOM 504 CA LEU A 34 -4.856 7.270 5.194 1.00 0.00 C ATOM 505 C LEU A 34 -5.681 6.006 4.944 1.00 0.00 C ATOM 506 O LEU A 34 -5.126 4.930 4.730 1.00 0.00 O ATOM 507 CB LEU A 34 -5.235 8.008 6.479 1.00 0.00 C ATOM 508 CG LEU A 34 -4.078 8.364 7.415 1.00 0.00 C ATOM 509 CD1 LEU A 34 -4.597 8.831 8.776 1.00 0.00 C ATOM 510 CD2 LEU A 34 -3.099 7.195 7.545 1.00 0.00 C ATOM 0 H LEU A 34 -5.062 9.143 4.278 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.822 6.954 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.752 8.928 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.947 7.394 7.031 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.529 9.197 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.754 9.078 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.223 9.713 8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.184 8.035 9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.286 7.474 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.620 6.327 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.692 6.950 6.564 1.00 0.00 H new ATOM 522 N ASP A 35 -6.994 6.179 4.981 1.00 0.00 N ATOM 523 CA ASP A 35 -7.902 5.066 4.761 1.00 0.00 C ATOM 524 C ASP A 35 -7.305 4.127 3.711 1.00 0.00 C ATOM 525 O ASP A 35 -7.248 2.915 3.916 1.00 0.00 O ATOM 526 CB ASP A 35 -9.257 5.554 4.243 1.00 0.00 C ATOM 527 CG ASP A 35 -10.460 4.732 4.709 1.00 0.00 C ATOM 528 OD1 ASP A 35 -10.399 3.494 4.548 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.415 5.361 5.216 1.00 0.00 O ATOM 0 H ASP A 35 -7.451 7.073 5.160 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.043 4.553 5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.399 6.588 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.235 5.552 3.153 1.00 0.00 H new ATOM 534 N LEU A 36 -6.875 4.721 2.607 1.00 0.00 N ATOM 535 CA LEU A 36 -6.285 3.953 1.524 1.00 0.00 C ATOM 536 C LEU A 36 -5.004 3.280 2.022 1.00 0.00 C ATOM 537 O LEU A 36 -4.856 2.064 1.916 1.00 0.00 O ATOM 538 CB LEU A 36 -6.078 4.835 0.292 1.00 0.00 C ATOM 539 CG LEU A 36 -7.342 5.215 -0.481 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.064 6.357 -1.460 1.00 0.00 C ATOM 541 CD2 LEU A 36 -7.944 3.995 -1.181 1.00 0.00 C ATOM 0 H LEU A 36 -6.924 5.726 2.439 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.961 3.159 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.579 5.752 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.401 4.320 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.083 5.576 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.979 6.607 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.715 7.231 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.299 6.048 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.841 4.293 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.218 3.582 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.202 3.240 -0.438 1.00 0.00 H new ATOM 553 N LEU A 37 -4.110 4.102 2.553 1.00 0.00 N ATOM 554 CA LEU A 37 -2.846 3.601 3.066 1.00 0.00 C ATOM 555 C LEU A 37 -3.118 2.492 4.084 1.00 0.00 C ATOM 556 O LEU A 37 -2.583 1.391 3.965 1.00 0.00 O ATOM 557 CB LEU A 37 -2.000 4.750 3.619 1.00 0.00 C ATOM 558 CG LEU A 37 -1.747 5.917 2.663 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.225 7.141 3.418 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.809 5.502 1.527 1.00 0.00 C ATOM 0 H LEU A 37 -4.236 5.111 2.639 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.256 3.159 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.489 5.138 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.037 4.348 3.932 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.697 6.199 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.053 7.956 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.960 7.451 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.289 6.889 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.646 6.350 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.145 5.178 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.257 4.682 0.966 1.00 0.00 H new ATOM 572 N LYS A 38 -3.949 2.821 5.062 1.00 0.00 N ATOM 573 CA LYS A 38 -4.298 1.866 6.101 1.00 0.00 C ATOM 574 C LYS A 38 -4.616 0.514 5.458 1.00 0.00 C ATOM 575 O LYS A 38 -4.019 -0.501 5.812 1.00 0.00 O ATOM 576 CB LYS A 38 -5.428 2.413 6.974 1.00 0.00 C ATOM 577 CG LYS A 38 -4.930 3.554 7.865 1.00 0.00 C ATOM 578 CD LYS A 38 -6.017 4.613 8.058 1.00 0.00 C ATOM 579 CE LYS A 38 -5.582 5.664 9.081 1.00 0.00 C ATOM 580 NZ LYS A 38 -4.639 5.076 10.059 1.00 0.00 N ATOM 0 H LYS A 38 -4.391 3.735 5.157 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.455 1.709 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.241 2.769 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.833 1.613 7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.627 3.158 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.047 4.011 7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.233 5.096 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.939 4.136 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.110 6.503 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.456 6.058 9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.499 5.739 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.028 4.183 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.727 4.892 9.595 1.00 0.00 H new ATOM 594 N LYS A 39 -5.557 0.546 4.525 1.00 0.00 N ATOM 595 CA LYS A 39 -5.962 -0.664 3.830 1.00 0.00 C ATOM 596 C LYS A 39 -4.721 -1.373 3.284 1.00 0.00 C ATOM 597 O LYS A 39 -4.511 -2.557 3.548 1.00 0.00 O ATOM 598 CB LYS A 39 -7.007 -0.343 2.760 1.00 0.00 C ATOM 599 CG LYS A 39 -8.425 -0.524 3.307 1.00 0.00 C ATOM 600 CD LYS A 39 -8.857 -1.990 3.235 1.00 0.00 C ATOM 601 CE LYS A 39 -10.382 -2.111 3.205 1.00 0.00 C ATOM 602 NZ LYS A 39 -10.907 -2.381 4.562 1.00 0.00 N ATOM 0 H LYS A 39 -6.050 1.390 4.235 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.447 -1.355 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.875 0.682 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.861 -0.993 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.467 -0.179 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.120 0.092 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.434 -2.454 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.462 -2.532 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.818 -1.191 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.676 -2.914 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.943 -2.460 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.505 -3.271 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.643 -1.602 5.198 1.00 0.00 H new ATOM 616 N LEU A 40 -3.930 -0.620 2.534 1.00 0.00 N ATOM 617 CA LEU A 40 -2.716 -1.162 1.949 1.00 0.00 C ATOM 618 C LEU A 40 -1.869 -1.808 3.047 1.00 0.00 C ATOM 619 O LEU A 40 -1.398 -2.934 2.892 1.00 0.00 O ATOM 620 CB LEU A 40 -1.975 -0.083 1.157 1.00 0.00 C ATOM 621 CG LEU A 40 -2.640 0.369 -0.145 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.847 1.501 -0.802 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.845 -0.813 -1.095 1.00 0.00 C ATOM 0 H LEU A 40 -4.106 0.361 2.318 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.957 -1.945 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.849 0.789 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.977 -0.453 0.923 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.627 0.764 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.341 1.803 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.796 2.352 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.838 1.155 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.319 -0.464 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.880 -1.260 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.482 -1.557 -0.617 1.00 0.00 H new ATOM 635 N ASN A 41 -1.702 -1.068 4.134 1.00 0.00 N ATOM 636 CA ASN A 41 -0.921 -1.555 5.258 1.00 0.00 C ATOM 637 C ASN A 41 -1.585 -2.810 5.829 1.00 0.00 C ATOM 638 O ASN A 41 -0.920 -3.643 6.444 1.00 0.00 O ATOM 639 CB ASN A 41 -0.849 -0.510 6.373 1.00 0.00 C ATOM 640 CG ASN A 41 -0.302 -1.121 7.664 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.613 -1.928 7.660 1.00 0.00 O ATOM 642 ND2 ASN A 41 -0.912 -0.694 8.766 1.00 0.00 N ATOM 0 H ASN A 41 -2.094 -0.135 4.260 1.00 0.00 H new ATOM 0 HA ASN A 41 0.086 -1.771 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.212 0.317 6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.842 -0.097 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.620 -1.044 9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.672 -0.017 8.699 1.00 0.00 H new ATOM 649 N SER A 42 -2.887 -2.906 5.606 1.00 0.00 N ATOM 650 CA SER A 42 -3.648 -4.045 6.090 1.00 0.00 C ATOM 651 C SER A 42 -4.097 -4.914 4.913 1.00 0.00 C ATOM 652 O SER A 42 -5.229 -5.394 4.888 1.00 0.00 O ATOM 653 CB SER A 42 -4.859 -3.591 6.907 1.00 0.00 C ATOM 654 OG SER A 42 -4.938 -4.261 8.162 1.00 0.00 O ATOM 0 H SER A 42 -3.435 -2.213 5.096 1.00 0.00 H new ATOM 0 HA SER A 42 -3.003 -4.634 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.801 -2.515 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.770 -3.777 6.339 1.00 0.00 H new ATOM 0 HG SER A 42 -5.723 -3.942 8.654 1.00 0.00 H new ATOM 660 N CYS A 43 -3.186 -5.089 3.967 1.00 0.00 N ATOM 661 CA CYS A 43 -3.474 -5.891 2.791 1.00 0.00 C ATOM 662 C CYS A 43 -2.251 -6.761 2.492 1.00 0.00 C ATOM 663 O CYS A 43 -1.116 -6.294 2.576 1.00 0.00 O ATOM 664 CB CYS A 43 -3.861 -5.021 1.594 1.00 0.00 C ATOM 665 SG CYS A 43 -5.681 -4.843 1.512 1.00 0.00 S ATOM 0 H CYS A 43 -2.248 -4.689 3.991 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.335 -6.530 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.395 -4.040 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.489 -5.469 0.673 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.054 -3.849 2.262 1.00 0.00 H new ATOM 671 N GLN A 44 -2.524 -8.012 2.148 1.00 0.00 N ATOM 672 CA GLN A 44 -1.461 -8.951 1.836 1.00 0.00 C ATOM 673 C GLN A 44 -0.829 -8.609 0.485 1.00 0.00 C ATOM 674 O GLN A 44 -1.076 -9.288 -0.510 1.00 0.00 O ATOM 675 CB GLN A 44 -1.979 -10.391 1.850 1.00 0.00 C ATOM 676 CG GLN A 44 -1.118 -11.275 2.753 1.00 0.00 C ATOM 677 CD GLN A 44 -1.987 -12.213 3.593 1.00 0.00 C ATOM 678 OE1 GLN A 44 -3.088 -12.583 3.218 1.00 0.00 O ATOM 679 NE2 GLN A 44 -1.434 -12.575 4.747 1.00 0.00 N ATOM 0 H GLN A 44 -3.466 -8.396 2.079 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.693 -8.868 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.012 -10.406 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.979 -10.791 0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.429 -11.860 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.512 -10.650 3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.509 -12.229 5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.935 -13.199 5.379 1.00 0.00 H new ATOM 688 N MET A 45 -0.026 -7.555 0.494 1.00 0.00 N ATOM 689 CA MET A 45 0.643 -7.114 -0.718 1.00 0.00 C ATOM 690 C MET A 45 1.772 -8.072 -1.101 1.00 0.00 C ATOM 691 O MET A 45 2.326 -8.758 -0.244 1.00 0.00 O ATOM 692 CB MET A 45 1.214 -5.711 -0.505 1.00 0.00 C ATOM 693 CG MET A 45 1.856 -5.179 -1.788 1.00 0.00 C ATOM 694 SD MET A 45 0.610 -4.953 -3.045 1.00 0.00 S ATOM 695 CE MET A 45 -0.312 -3.602 -2.330 1.00 0.00 C ATOM 0 H MET A 45 0.176 -6.994 1.321 1.00 0.00 H new ATOM 0 HA MET A 45 -0.086 -7.100 -1.528 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.420 -5.036 -0.185 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.955 -5.734 0.294 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.358 -4.233 -1.588 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.617 -5.876 -2.140 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.955 -3.158 -3.090 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.924 -3.974 -1.508 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.380 -2.848 -1.955 1.00 0.00 H new ATOM 705 N SER A 46 2.079 -8.089 -2.390 1.00 0.00 N ATOM 706 CA SER A 46 3.133 -8.952 -2.897 1.00 0.00 C ATOM 707 C SER A 46 3.933 -8.222 -3.977 1.00 0.00 C ATOM 708 O SER A 46 3.461 -7.238 -4.546 1.00 0.00 O ATOM 709 CB SER A 46 2.557 -10.256 -3.453 1.00 0.00 C ATOM 710 OG SER A 46 2.374 -11.236 -2.435 1.00 0.00 O ATOM 0 H SER A 46 1.617 -7.519 -3.098 1.00 0.00 H new ATOM 0 HA SER A 46 3.797 -9.203 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.602 -10.053 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.225 -10.650 -4.219 1.00 0.00 H new ATOM 0 HG SER A 46 2.003 -12.053 -2.830 1.00 0.00 H new ATOM 716 N ILE A 47 5.130 -8.731 -4.228 1.00 0.00 N ATOM 717 CA ILE A 47 6.000 -8.140 -5.230 1.00 0.00 C ATOM 718 C ILE A 47 5.272 -8.106 -6.575 1.00 0.00 C ATOM 719 O ILE A 47 5.051 -7.035 -7.139 1.00 0.00 O ATOM 720 CB ILE A 47 7.342 -8.874 -5.276 1.00 0.00 C ATOM 721 CG1 ILE A 47 8.053 -8.801 -3.923 1.00 0.00 C ATOM 722 CG2 ILE A 47 8.218 -8.346 -6.413 1.00 0.00 C ATOM 723 CD1 ILE A 47 9.080 -9.927 -3.782 1.00 0.00 C ATOM 0 H ILE A 47 5.518 -9.547 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 47 6.236 -7.109 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 47 7.148 -9.927 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.550 -7.836 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.320 -8.869 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.165 -8.885 -6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.707 -8.493 -7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.407 -7.283 -6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.571 -9.852 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.577 -10.891 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.825 -9.841 -4.573 1.00 0.00 H new ATOM 735 N GLN A 48 4.919 -9.291 -7.051 1.00 0.00 N ATOM 736 CA GLN A 48 4.220 -9.410 -8.320 1.00 0.00 C ATOM 737 C GLN A 48 3.023 -8.458 -8.358 1.00 0.00 C ATOM 738 O GLN A 48 2.897 -7.651 -9.277 1.00 0.00 O ATOM 739 CB GLN A 48 3.781 -10.854 -8.570 1.00 0.00 C ATOM 740 CG GLN A 48 3.618 -11.126 -10.067 1.00 0.00 C ATOM 741 CD GLN A 48 3.237 -12.586 -10.321 1.00 0.00 C ATOM 742 OE1 GLN A 48 2.438 -13.178 -9.614 1.00 0.00 O ATOM 743 NE2 GLN A 48 3.852 -13.131 -11.367 1.00 0.00 N ATOM 0 H GLN A 48 5.104 -10.177 -6.581 1.00 0.00 H new ATOM 0 HA GLN A 48 4.907 -9.130 -9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.517 -11.540 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.838 -11.045 -8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.851 -10.470 -10.478 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.548 -10.894 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.510 -12.578 -11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.666 -14.102 -11.619 1.00 0.00 H new ATOM 752 N LEU A 49 2.175 -8.584 -7.348 1.00 0.00 N ATOM 753 CA LEU A 49 0.993 -7.745 -7.254 1.00 0.00 C ATOM 754 C LEU A 49 1.414 -6.274 -7.266 1.00 0.00 C ATOM 755 O LEU A 49 0.873 -5.476 -8.030 1.00 0.00 O ATOM 756 CB LEU A 49 0.154 -8.135 -6.035 1.00 0.00 C ATOM 757 CG LEU A 49 -0.731 -9.372 -6.198 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.338 -9.792 -4.858 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.804 -9.142 -7.265 1.00 0.00 C ATOM 0 H LEU A 49 2.283 -9.255 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 49 0.347 -7.899 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.827 -8.302 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.482 -7.290 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.106 -10.196 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.963 -10.674 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.539 -10.024 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.945 -8.978 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.419 -10.037 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.431 -8.299 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.326 -8.926 -8.221 1.00 0.00 H new ATOM 771 N LEU A 50 2.376 -5.960 -6.410 1.00 0.00 N ATOM 772 CA LEU A 50 2.876 -4.600 -6.312 1.00 0.00 C ATOM 773 C LEU A 50 3.003 -4.005 -7.716 1.00 0.00 C ATOM 774 O LEU A 50 2.630 -2.855 -7.943 1.00 0.00 O ATOM 775 CB LEU A 50 4.178 -4.564 -5.510 1.00 0.00 C ATOM 776 CG LEU A 50 4.060 -4.085 -4.061 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.030 -4.842 -3.153 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.251 -2.570 -3.967 1.00 0.00 C ATOM 0 H LEU A 50 2.822 -6.625 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 50 2.172 -3.975 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.607 -5.566 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.884 -3.916 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 50 3.052 -4.305 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.926 -4.483 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.805 -5.908 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.052 -4.676 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.162 -2.256 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.239 -2.304 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.488 -2.069 -4.563 1.00 0.00 H new ATOM 790 N GLN A 51 3.529 -4.816 -8.622 1.00 0.00 N ATOM 791 CA GLN A 51 3.710 -4.385 -9.998 1.00 0.00 C ATOM 792 C GLN A 51 2.352 -4.215 -10.683 1.00 0.00 C ATOM 793 O GLN A 51 1.972 -3.103 -11.047 1.00 0.00 O ATOM 794 CB GLN A 51 4.594 -5.367 -10.769 1.00 0.00 C ATOM 795 CG GLN A 51 6.075 -5.020 -10.601 1.00 0.00 C ATOM 796 CD GLN A 51 6.931 -5.758 -11.632 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.169 -5.287 -12.732 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.380 -6.939 -11.216 1.00 0.00 N ATOM 0 H GLN A 51 3.836 -5.770 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 51 4.216 -3.420 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.412 -6.381 -10.414 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.330 -5.347 -11.826 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.215 -3.944 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.402 -5.284 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.143 -7.274 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.961 -7.509 -11.831 1.00 0.00 H new ATOM 807 N THR A 52 1.659 -5.333 -10.839 1.00 0.00 N ATOM 808 CA THR A 52 0.353 -5.322 -11.474 1.00 0.00 C ATOM 809 C THR A 52 -0.498 -4.176 -10.923 1.00 0.00 C ATOM 810 O THR A 52 -1.181 -3.486 -11.679 1.00 0.00 O ATOM 811 CB THR A 52 -0.282 -6.700 -11.274 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.411 -6.821 -9.860 1.00 0.00 O ATOM 813 CG2 THR A 52 0.661 -7.841 -11.661 1.00 0.00 C ATOM 0 H THR A 52 1.978 -6.253 -10.536 1.00 0.00 H new ATOM 0 HA THR A 52 0.436 -5.138 -12.545 1.00 0.00 H new ATOM 0 HB THR A 52 -1.195 -6.768 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.338 -6.365 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.161 -8.796 -11.500 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.934 -7.747 -12.712 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.560 -7.794 -11.047 1.00 0.00 H new ATOM 821 N THR A 53 -0.430 -4.008 -9.611 1.00 0.00 N ATOM 822 CA THR A 53 -1.185 -2.957 -8.950 1.00 0.00 C ATOM 823 C THR A 53 -0.486 -1.607 -9.125 1.00 0.00 C ATOM 824 O THR A 53 -1.143 -0.570 -9.197 1.00 0.00 O ATOM 825 CB THR A 53 -1.372 -3.359 -7.486 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.044 -3.541 -7.003 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.016 -4.739 -7.334 1.00 0.00 C ATOM 0 H THR A 53 0.137 -4.582 -8.987 1.00 0.00 H new ATOM 0 HA THR A 53 -2.171 -2.837 -9.398 1.00 0.00 H new ATOM 0 HB THR A 53 -1.988 -2.614 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.239 -4.466 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.126 -4.975 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.997 -4.737 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.385 -5.490 -7.809 1.00 0.00 H new ATOM 835 N ARG A 54 0.836 -1.665 -9.189 1.00 0.00 N ATOM 836 CA ARG A 54 1.630 -0.460 -9.355 1.00 0.00 C ATOM 837 C ARG A 54 1.306 0.546 -8.249 1.00 0.00 C ATOM 838 O ARG A 54 1.391 1.754 -8.460 1.00 0.00 O ATOM 839 CB ARG A 54 1.371 0.188 -10.716 1.00 0.00 C ATOM 840 CG ARG A 54 2.581 0.030 -11.639 1.00 0.00 C ATOM 841 CD ARG A 54 2.772 1.273 -12.510 1.00 0.00 C ATOM 842 NE ARG A 54 3.332 0.888 -13.825 1.00 0.00 N ATOM 843 CZ ARG A 54 3.649 1.761 -14.791 1.00 0.00 C ATOM 844 NH1 ARG A 54 3.463 3.073 -14.596 1.00 0.00 N ATOM 845 NH2 ARG A 54 4.151 1.321 -15.953 1.00 0.00 N ATOM 0 H ARG A 54 1.377 -2.528 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 54 2.680 -0.745 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.495 -0.267 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.147 1.246 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.477 -0.142 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.447 -0.846 -12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.818 1.782 -12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.440 1.977 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 54 3.486 -0.104 -14.007 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.080 3.408 -13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.704 3.737 -15.332 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.292 0.322 -16.102 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.392 1.985 -16.688 1.00 0.00 H new ATOM 859 N ILE A 55 0.942 0.009 -7.093 1.00 0.00 N ATOM 860 CA ILE A 55 0.604 0.845 -5.954 1.00 0.00 C ATOM 861 C ILE A 55 1.879 1.488 -5.403 1.00 0.00 C ATOM 862 O ILE A 55 1.821 2.532 -4.755 1.00 0.00 O ATOM 863 CB ILE A 55 -0.177 0.041 -4.913 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.825 0.965 -3.879 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.711 -1.018 -4.257 1.00 0.00 C ATOM 866 CD1 ILE A 55 -2.268 1.296 -4.269 1.00 0.00 C ATOM 0 H ILE A 55 0.874 -0.994 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.057 1.656 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.982 -0.486 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.809 0.488 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.247 1.885 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.130 -1.575 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.084 -1.703 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.552 -0.532 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.706 1.954 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.278 1.794 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.849 0.376 -4.328 1.00 0.00 H new ATOM 878 N GLY A 56 2.999 0.839 -5.682 1.00 0.00 N ATOM 879 CA GLY A 56 4.286 1.334 -5.223 1.00 0.00 C ATOM 880 C GLY A 56 4.510 2.778 -5.677 1.00 0.00 C ATOM 881 O GLY A 56 4.975 3.612 -4.901 1.00 0.00 O ATOM 0 H GLY A 56 3.042 -0.026 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.334 1.279 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.083 0.699 -5.610 1.00 0.00 H new ATOM 885 N VAL A 57 4.170 3.029 -6.933 1.00 0.00 N ATOM 886 CA VAL A 57 4.329 4.358 -7.500 1.00 0.00 C ATOM 887 C VAL A 57 3.240 5.278 -6.944 1.00 0.00 C ATOM 888 O VAL A 57 3.480 6.464 -6.718 1.00 0.00 O ATOM 889 CB VAL A 57 4.322 4.279 -9.028 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.111 3.491 -9.531 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.364 5.676 -9.649 1.00 0.00 C ATOM 0 H VAL A 57 3.785 2.335 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 57 5.291 4.783 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 57 5.221 3.747 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.130 3.450 -10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.143 2.478 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.195 3.982 -9.203 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.358 5.591 -10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.493 6.245 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.271 6.189 -9.330 1.00 0.00 H new ATOM 901 N ALA A 58 2.067 4.698 -6.739 1.00 0.00 N ATOM 902 CA ALA A 58 0.941 5.451 -6.215 1.00 0.00 C ATOM 903 C ALA A 58 1.321 6.051 -4.859 1.00 0.00 C ATOM 904 O ALA A 58 1.317 7.269 -4.692 1.00 0.00 O ATOM 905 CB ALA A 58 -0.286 4.541 -6.126 1.00 0.00 C ATOM 0 H ALA A 58 1.872 3.715 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 58 0.688 6.275 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.131 5.107 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.532 4.164 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.070 3.703 -5.463 1.00 0.00 H new ATOM 911 N VAL A 59 1.640 5.166 -3.926 1.00 0.00 N ATOM 912 CA VAL A 59 2.022 5.593 -2.590 1.00 0.00 C ATOM 913 C VAL A 59 3.053 6.719 -2.694 1.00 0.00 C ATOM 914 O VAL A 59 2.788 7.848 -2.285 1.00 0.00 O ATOM 915 CB VAL A 59 2.525 4.395 -1.782 1.00 0.00 C ATOM 916 CG1 VAL A 59 3.013 4.832 -0.400 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.443 3.319 -1.666 1.00 0.00 C ATOM 0 H VAL A 59 1.642 4.156 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 59 1.160 5.990 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 59 3.372 3.963 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.365 3.962 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.829 5.546 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.193 5.301 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.826 2.479 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.568 3.735 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.163 2.976 -2.662 1.00 0.00 H new ATOM 927 N ASN A 60 4.207 6.372 -3.245 1.00 0.00 N ATOM 928 CA ASN A 60 5.279 7.339 -3.408 1.00 0.00 C ATOM 929 C ASN A 60 4.716 8.617 -4.033 1.00 0.00 C ATOM 930 O ASN A 60 4.999 9.719 -3.564 1.00 0.00 O ATOM 931 CB ASN A 60 6.370 6.801 -4.336 1.00 0.00 C ATOM 932 CG ASN A 60 7.602 7.708 -4.318 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.736 8.632 -5.104 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.491 7.396 -3.380 1.00 0.00 N ATOM 0 H ASN A 60 4.423 5.435 -3.584 1.00 0.00 H new ATOM 0 HA ASN A 60 5.707 7.537 -2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.651 5.794 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.984 6.727 -5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.347 7.943 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.317 6.610 -2.754 1.00 0.00 H new ATOM 941 N GLY A 61 3.929 8.428 -5.082 1.00 0.00 N ATOM 942 CA GLY A 61 3.324 9.552 -5.776 1.00 0.00 C ATOM 943 C GLY A 61 2.608 10.482 -4.793 1.00 0.00 C ATOM 944 O GLY A 61 2.527 11.688 -5.022 1.00 0.00 O ATOM 0 H GLY A 61 3.696 7.513 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.092 10.108 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.615 9.187 -6.519 1.00 0.00 H new ATOM 948 N VAL A 62 2.108 9.886 -3.721 1.00 0.00 N ATOM 949 CA VAL A 62 1.403 10.646 -2.703 1.00 0.00 C ATOM 950 C VAL A 62 2.414 11.215 -1.705 1.00 0.00 C ATOM 951 O VAL A 62 2.421 12.416 -1.441 1.00 0.00 O ATOM 952 CB VAL A 62 0.337 9.770 -2.041 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.790 10.625 -1.457 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.212 8.736 -3.026 1.00 0.00 C ATOM 0 H VAL A 62 2.177 8.885 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 62 0.879 11.490 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 62 0.809 9.231 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.534 9.978 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.381 11.304 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.258 11.203 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.968 8.127 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.660 9.247 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.600 8.096 -3.372 1.00 0.00 H new ATOM 964 N ARG A 63 3.243 10.326 -1.179 1.00 0.00 N ATOM 965 CA ARG A 63 4.255 10.724 -0.217 1.00 0.00 C ATOM 966 C ARG A 63 5.108 11.861 -0.784 1.00 0.00 C ATOM 967 O ARG A 63 5.773 12.576 -0.035 1.00 0.00 O ATOM 968 CB ARG A 63 5.163 9.547 0.148 1.00 0.00 C ATOM 969 CG ARG A 63 6.418 10.028 0.877 1.00 0.00 C ATOM 970 CD ARG A 63 7.345 8.856 1.205 1.00 0.00 C ATOM 971 NE ARG A 63 8.595 9.356 1.820 1.00 0.00 N ATOM 972 CZ ARG A 63 9.669 9.753 1.124 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.652 9.712 -0.215 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.760 10.192 1.767 1.00 0.00 N ATOM 0 H ARG A 63 3.234 9.331 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 63 3.742 11.064 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.618 8.845 0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.447 9.008 -0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.947 10.753 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.135 10.541 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.846 8.166 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.574 8.298 0.297 1.00 0.00 H new ATOM 0 HE ARG A 63 8.642 9.401 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.822 9.379 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.469 10.014 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.773 10.224 2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.577 10.494 1.237 1.00 0.00 H new ATOM 988 N LYS A 64 5.062 11.992 -2.101 1.00 0.00 N ATOM 989 CA LYS A 64 5.823 13.029 -2.777 1.00 0.00 C ATOM 990 C LYS A 64 4.972 14.297 -2.875 1.00 0.00 C ATOM 991 O LYS A 64 5.505 15.400 -2.989 1.00 0.00 O ATOM 992 CB LYS A 64 6.333 12.525 -4.128 1.00 0.00 C ATOM 993 CG LYS A 64 7.847 12.308 -4.096 1.00 0.00 C ATOM 994 CD LYS A 64 8.571 13.367 -4.929 1.00 0.00 C ATOM 995 CE LYS A 64 9.771 13.936 -4.170 1.00 0.00 C ATOM 996 NZ LYS A 64 9.747 15.416 -4.197 1.00 0.00 N ATOM 0 H LYS A 64 4.510 11.397 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 64 6.713 13.285 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.833 11.591 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.082 13.245 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.202 12.346 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.084 11.315 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.906 12.929 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.880 14.172 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.756 13.585 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.697 13.573 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.568 15.786 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.784 15.746 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.872 15.757 -3.750 1.00 0.00 H new ATOM 1010 N HIS A 65 3.663 14.098 -2.827 1.00 0.00 N ATOM 1011 CA HIS A 65 2.733 15.212 -2.910 1.00 0.00 C ATOM 1012 C HIS A 65 1.924 15.302 -1.614 1.00 0.00 C ATOM 1013 O HIS A 65 0.871 15.937 -1.578 1.00 0.00 O ATOM 1014 CB HIS A 65 1.850 15.092 -4.153 1.00 0.00 C ATOM 1015 CG HIS A 65 2.607 15.190 -5.456 1.00 0.00 C ATOM 1016 ND1 HIS A 65 2.748 14.293 -6.474 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 3.328 16.313 -5.821 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.512 14.840 -7.411 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 3.873 16.092 -7.008 1.00 0.00 N flip ATOM 0 H HIS A 65 3.224 13.182 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 65 3.286 16.145 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.324 14.138 -4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.092 15.875 -4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.429 17.216 -5.237 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.801 14.371 -8.340 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.460 16.744 -7.529 1.00 0.00 H new ATOM 1027 N CYS A 66 2.447 14.657 -0.582 1.00 0.00 N ATOM 1028 CA CYS A 66 1.787 14.656 0.713 1.00 0.00 C ATOM 1029 C CYS A 66 2.745 15.259 1.741 1.00 0.00 C ATOM 1030 O CYS A 66 3.860 14.770 1.917 1.00 0.00 O ATOM 1031 CB CYS A 66 1.329 13.252 1.113 1.00 0.00 C ATOM 1032 SG CYS A 66 0.027 13.360 2.394 1.00 0.00 S ATOM 0 H CYS A 66 3.320 14.131 -0.616 1.00 0.00 H new ATOM 0 HA CYS A 66 0.882 15.261 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.949 12.722 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.175 12.678 1.490 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.179 14.607 2.700 1.00 0.00 H new ATOM 1038 N SER A 67 2.276 16.312 2.394 1.00 0.00 N ATOM 1039 CA SER A 67 3.078 16.986 3.401 1.00 0.00 C ATOM 1040 C SER A 67 2.594 16.600 4.800 1.00 0.00 C ATOM 1041 O SER A 67 3.155 17.046 5.800 1.00 0.00 O ATOM 1042 CB SER A 67 3.024 18.505 3.221 1.00 0.00 C ATOM 1043 OG SER A 67 4.135 18.993 2.475 1.00 0.00 O ATOM 0 H SER A 67 1.351 16.715 2.245 1.00 0.00 H new ATOM 0 HA SER A 67 4.114 16.669 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.099 18.777 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.005 18.986 4.199 1.00 0.00 H new ATOM 0 HG SER A 67 4.063 19.966 2.380 1.00 0.00 H new ATOM 1049 N ASP A 68 1.557 15.776 4.827 1.00 0.00 N ATOM 1050 CA ASP A 68 0.991 15.325 6.087 1.00 0.00 C ATOM 1051 C ASP A 68 2.059 14.565 6.877 1.00 0.00 C ATOM 1052 O ASP A 68 3.206 14.471 6.445 1.00 0.00 O ATOM 1053 CB ASP A 68 -0.188 14.378 5.854 1.00 0.00 C ATOM 1054 CG ASP A 68 -1.483 15.057 5.405 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.493 15.562 4.262 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -2.435 15.055 6.215 1.00 0.00 O ATOM 0 H ASP A 68 1.094 15.409 3.996 1.00 0.00 H new ATOM 0 HA ASP A 68 0.646 16.202 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.099 13.643 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.383 13.831 6.776 1.00 0.00 H new ATOM 1061 N LYS A 69 1.643 14.044 8.022 1.00 0.00 N ATOM 1062 CA LYS A 69 2.549 13.296 8.876 1.00 0.00 C ATOM 1063 C LYS A 69 2.119 11.828 8.907 1.00 0.00 C ATOM 1064 O LYS A 69 2.904 10.940 8.577 1.00 0.00 O ATOM 1065 CB LYS A 69 2.634 13.940 10.261 1.00 0.00 C ATOM 1066 CG LYS A 69 3.784 14.947 10.328 1.00 0.00 C ATOM 1067 CD LYS A 69 4.607 14.756 11.604 1.00 0.00 C ATOM 1068 CE LYS A 69 6.063 14.423 11.272 1.00 0.00 C ATOM 1069 NZ LYS A 69 6.912 15.629 11.400 1.00 0.00 N ATOM 0 H LYS A 69 0.691 14.125 8.378 1.00 0.00 H new ATOM 0 HA LYS A 69 3.562 13.324 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.694 14.441 10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.778 13.168 11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.427 14.829 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.386 15.961 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.566 15.663 12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.175 13.955 12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.426 13.643 11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.130 14.029 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.897 15.386 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.575 16.362 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.861 15.987 12.375 1.00 0.00 H new ATOM 1083 N GLU A 70 0.873 11.617 9.306 1.00 0.00 N ATOM 1084 CA GLU A 70 0.329 10.272 9.383 1.00 0.00 C ATOM 1085 C GLU A 70 0.105 9.708 7.979 1.00 0.00 C ATOM 1086 O GLU A 70 0.527 8.592 7.679 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.966 10.250 10.197 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.713 9.748 11.619 1.00 0.00 C ATOM 1089 CD GLU A 70 0.418 10.536 12.285 1.00 0.00 C ATOM 1090 OE1 GLU A 70 0.282 11.777 12.351 1.00 0.00 O ATOM 1091 OE2 GLU A 70 1.391 9.879 12.713 1.00 0.00 O ATOM 0 H GLU A 70 0.225 12.355 9.579 1.00 0.00 H new ATOM 0 HA GLU A 70 1.052 9.638 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.394 11.252 10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.697 9.608 9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.624 9.843 12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.458 8.689 11.595 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.559 10.506 7.155 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.845 10.100 5.789 1.00 0.00 C ATOM 1100 C VAL A 71 0.470 9.822 5.059 1.00 0.00 C ATOM 1101 O VAL A 71 0.507 9.029 4.119 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.701 11.163 5.096 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.638 11.010 3.575 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -3.147 11.112 5.594 1.00 0.00 C ATOM 0 H VAL A 71 -0.907 11.431 7.407 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.425 9.177 5.778 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.294 12.141 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.255 11.777 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.606 11.119 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.008 10.024 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.734 11.877 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.570 10.130 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.168 11.292 6.669 1.00 0.00 H new ATOM 1114 N VAL A 72 1.518 10.490 5.518 1.00 0.00 N ATOM 1115 CA VAL A 72 2.832 10.325 4.920 1.00 0.00 C ATOM 1116 C VAL A 72 3.562 9.173 5.614 1.00 0.00 C ATOM 1117 O VAL A 72 4.229 8.372 4.960 1.00 0.00 O ATOM 1118 CB VAL A 72 3.604 11.644 4.980 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.114 11.398 4.954 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.181 12.579 3.845 1.00 0.00 C ATOM 0 H VAL A 72 1.484 11.147 6.298 1.00 0.00 H new ATOM 0 HA VAL A 72 2.742 10.065 3.865 1.00 0.00 H new ATOM 0 HB VAL A 72 3.361 12.132 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.639 12.352 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.398 10.788 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.382 10.878 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.745 13.509 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.381 12.101 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.116 12.794 3.928 1.00 0.00 H new ATOM 1130 N SER A 73 3.412 9.126 6.929 1.00 0.00 N ATOM 1131 CA SER A 73 4.049 8.086 7.719 1.00 0.00 C ATOM 1132 C SER A 73 3.724 6.711 7.133 1.00 0.00 C ATOM 1133 O SER A 73 4.624 5.915 6.872 1.00 0.00 O ATOM 1134 CB SER A 73 3.607 8.157 9.182 1.00 0.00 C ATOM 1135 OG SER A 73 4.677 8.532 10.045 1.00 0.00 O ATOM 0 H SER A 73 2.858 9.792 7.468 1.00 0.00 H new ATOM 0 HA SER A 73 5.127 8.243 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.793 8.875 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.216 7.187 9.490 1.00 0.00 H new ATOM 0 HG SER A 73 4.354 8.568 10.970 1.00 0.00 H new ATOM 1141 N LEU A 74 2.434 6.474 6.942 1.00 0.00 N ATOM 1142 CA LEU A 74 1.979 5.209 6.391 1.00 0.00 C ATOM 1143 C LEU A 74 2.596 5.010 5.005 1.00 0.00 C ATOM 1144 O LEU A 74 3.276 4.015 4.762 1.00 0.00 O ATOM 1145 CB LEU A 74 0.451 5.139 6.400 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.162 3.940 7.126 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.342 3.856 8.568 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.690 3.977 7.054 1.00 0.00 C ATOM 0 H LEU A 74 1.690 7.137 7.159 1.00 0.00 H new ATOM 0 HA LEU A 74 2.316 4.380 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.068 6.051 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.102 5.131 5.368 1.00 0.00 H new ATOM 0 HG LEU A 74 0.162 3.032 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.109 2.995 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.427 3.748 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.068 4.765 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.100 3.113 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.054 4.892 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.006 3.952 6.011 1.00 0.00 H new ATOM 1160 N ALA A 75 2.335 5.973 4.133 1.00 0.00 N ATOM 1161 CA ALA A 75 2.856 5.916 2.778 1.00 0.00 C ATOM 1162 C ALA A 75 4.306 5.430 2.813 1.00 0.00 C ATOM 1163 O ALA A 75 4.733 4.674 1.943 1.00 0.00 O ATOM 1164 CB ALA A 75 2.717 7.290 2.119 1.00 0.00 C ATOM 0 H ALA A 75 1.770 6.797 4.339 1.00 0.00 H new ATOM 0 HA ALA A 75 2.286 5.207 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.108 7.247 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.665 7.576 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.278 8.027 2.693 1.00 0.00 H new ATOM 1170 N LYS A 76 5.024 5.886 3.830 1.00 0.00 N ATOM 1171 CA LYS A 76 6.418 5.508 3.990 1.00 0.00 C ATOM 1172 C LYS A 76 6.501 4.020 4.338 1.00 0.00 C ATOM 1173 O LYS A 76 7.161 3.251 3.640 1.00 0.00 O ATOM 1174 CB LYS A 76 7.106 6.417 5.010 1.00 0.00 C ATOM 1175 CG LYS A 76 7.372 7.803 4.417 1.00 0.00 C ATOM 1176 CD LYS A 76 7.682 8.820 5.517 1.00 0.00 C ATOM 1177 CE LYS A 76 7.877 10.219 4.931 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.317 10.508 4.746 1.00 0.00 N ATOM 0 H LYS A 76 4.666 6.513 4.551 1.00 0.00 H new ATOM 0 HA LYS A 76 6.961 5.649 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.481 6.511 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.046 5.967 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.208 7.750 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.503 8.132 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.868 8.836 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.581 8.518 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.359 10.294 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.433 10.962 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.433 11.245 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.723 10.838 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.808 9.643 4.441 1.00 0.00 H new ATOM 1192 N VAL A 77 5.823 3.659 5.418 1.00 0.00 N ATOM 1193 CA VAL A 77 5.812 2.277 5.867 1.00 0.00 C ATOM 1194 C VAL A 77 5.491 1.363 4.683 1.00 0.00 C ATOM 1195 O VAL A 77 6.112 0.314 4.518 1.00 0.00 O ATOM 1196 CB VAL A 77 4.834 2.113 7.032 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.513 0.637 7.275 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.377 2.773 8.301 1.00 0.00 C ATOM 0 H VAL A 77 5.278 4.299 5.995 1.00 0.00 H new ATOM 0 HA VAL A 77 6.794 1.989 6.242 1.00 0.00 H new ATOM 0 HB VAL A 77 3.906 2.617 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.816 0.549 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.063 0.210 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.431 0.099 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.663 2.642 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.326 2.311 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.530 3.837 8.121 1.00 0.00 H new ATOM 1208 N LEU A 78 4.522 1.794 3.890 1.00 0.00 N ATOM 1209 CA LEU A 78 4.111 1.027 2.726 1.00 0.00 C ATOM 1210 C LEU A 78 5.315 0.822 1.805 1.00 0.00 C ATOM 1211 O LEU A 78 5.483 -0.252 1.228 1.00 0.00 O ATOM 1212 CB LEU A 78 2.917 1.695 2.039 1.00 0.00 C ATOM 1213 CG LEU A 78 1.575 1.581 2.765 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.471 2.304 1.992 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.222 0.117 3.037 1.00 0.00 C ATOM 0 H LEU A 78 4.009 2.665 4.030 1.00 0.00 H new ATOM 0 HA LEU A 78 3.765 0.037 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.146 2.752 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.807 1.263 1.044 1.00 0.00 H new ATOM 0 HG LEU A 78 1.666 2.075 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.472 2.208 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.727 3.359 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.371 1.861 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.264 0.064 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.155 -0.423 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.995 -0.334 3.659 1.00 0.00 H new ATOM 1227 N ILE A 79 6.121 1.867 1.695 1.00 0.00 N ATOM 1228 CA ILE A 79 7.304 1.815 0.853 1.00 0.00 C ATOM 1229 C ILE A 79 8.319 0.848 1.467 1.00 0.00 C ATOM 1230 O ILE A 79 8.885 0.009 0.768 1.00 0.00 O ATOM 1231 CB ILE A 79 7.858 3.221 0.620 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.257 3.845 -0.641 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.388 3.208 0.580 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.785 4.203 -0.428 1.00 0.00 C ATOM 0 H ILE A 79 5.978 2.755 2.175 1.00 0.00 H new ATOM 0 HA ILE A 79 7.052 1.429 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 79 7.563 3.848 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.817 4.740 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.349 3.149 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.756 4.220 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.774 2.833 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.725 2.561 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.382 4.645 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.223 3.302 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.699 4.918 0.390 1.00 0.00 H new ATOM 1246 N LYS A 80 8.518 0.997 2.769 1.00 0.00 N ATOM 1247 CA LYS A 80 9.454 0.148 3.485 1.00 0.00 C ATOM 1248 C LYS A 80 8.942 -1.293 3.471 1.00 0.00 C ATOM 1249 O LYS A 80 9.551 -2.167 2.856 1.00 0.00 O ATOM 1250 CB LYS A 80 9.708 0.697 4.890 1.00 0.00 C ATOM 1251 CG LYS A 80 10.945 0.049 5.517 1.00 0.00 C ATOM 1252 CD LYS A 80 10.854 0.059 7.044 1.00 0.00 C ATOM 1253 CE LYS A 80 11.165 -1.324 7.621 1.00 0.00 C ATOM 1254 NZ LYS A 80 10.454 -1.522 8.904 1.00 0.00 N ATOM 0 H LYS A 80 8.047 1.693 3.346 1.00 0.00 H new ATOM 0 HA LYS A 80 10.424 0.147 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.843 1.778 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.838 0.512 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.042 -0.977 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.840 0.583 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.553 0.791 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.855 0.368 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.868 -2.096 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.239 -1.428 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.676 -2.465 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.757 -0.796 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.429 -1.444 8.748 1.00 0.00 H new ATOM 1268 N ASN A 81 7.827 -1.498 4.157 1.00 0.00 N ATOM 1269 CA ASN A 81 7.226 -2.819 4.232 1.00 0.00 C ATOM 1270 C ASN A 81 7.318 -3.494 2.862 1.00 0.00 C ATOM 1271 O ASN A 81 7.513 -4.706 2.775 1.00 0.00 O ATOM 1272 CB ASN A 81 5.748 -2.730 4.617 1.00 0.00 C ATOM 1273 CG ASN A 81 5.582 -2.631 6.134 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.523 -2.767 6.898 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.335 -2.386 6.527 1.00 0.00 N ATOM 0 H ASN A 81 7.324 -0.771 4.666 1.00 0.00 H new ATOM 0 HA ASN A 81 7.762 -3.392 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.296 -1.860 4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.218 -3.608 4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.121 -2.301 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.593 -2.283 5.835 1.00 0.00 H new ATOM 1282 N TRP A 82 7.173 -2.681 1.826 1.00 0.00 N ATOM 1283 CA TRP A 82 7.237 -3.185 0.464 1.00 0.00 C ATOM 1284 C TRP A 82 8.710 -3.405 0.111 1.00 0.00 C ATOM 1285 O TRP A 82 9.083 -4.472 -0.373 1.00 0.00 O ATOM 1286 CB TRP A 82 6.524 -2.239 -0.504 1.00 0.00 C ATOM 1287 CG TRP A 82 5.000 -2.243 -0.369 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.227 -3.164 0.223 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.091 -1.238 -0.864 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.891 -2.826 0.147 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.806 -1.618 -0.535 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.346 -0.046 -1.565 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.674 -0.862 -0.867 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.205 0.697 -1.889 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.904 0.329 -1.566 1.00 0.00 C ATOM 0 H TRP A 82 7.011 -1.677 1.902 1.00 0.00 H new ATOM 0 HA TRP A 82 6.713 -4.137 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.890 -1.225 -0.341 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.789 -2.513 -1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.602 -4.058 0.699 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.110 -3.364 0.522 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.343 0.271 -1.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.678 -1.181 -0.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.345 1.622 -2.428 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.075 0.959 -1.853 1.00 0.00 H new ATOM 1306 N LYS A 83 9.506 -2.377 0.366 1.00 0.00 N ATOM 1307 CA LYS A 83 10.929 -2.444 0.081 1.00 0.00 C ATOM 1308 C LYS A 83 11.465 -3.815 0.500 1.00 0.00 C ATOM 1309 O LYS A 83 12.051 -4.531 -0.311 1.00 0.00 O ATOM 1310 CB LYS A 83 11.663 -1.272 0.734 1.00 0.00 C ATOM 1311 CG LYS A 83 12.499 -0.506 -0.294 1.00 0.00 C ATOM 1312 CD LYS A 83 13.583 0.327 0.392 1.00 0.00 C ATOM 1313 CE LYS A 83 13.739 1.690 -0.287 1.00 0.00 C ATOM 1314 NZ LYS A 83 14.310 1.531 -1.643 1.00 0.00 N ATOM 0 H LYS A 83 9.192 -1.493 0.767 1.00 0.00 H new ATOM 0 HA LYS A 83 11.107 -2.345 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.941 -0.598 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.309 -1.641 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.960 -1.208 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.852 0.145 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.329 0.467 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.532 -0.209 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.770 2.185 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.385 2.330 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.457 2.468 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.221 1.033 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.654 0.980 -2.233 1.00 0.00 H new ATOM 1328 N ARG A 84 11.244 -4.139 1.765 1.00 0.00 N ATOM 1329 CA ARG A 84 11.697 -5.411 2.302 1.00 0.00 C ATOM 1330 C ARG A 84 11.447 -6.533 1.292 1.00 0.00 C ATOM 1331 O ARG A 84 12.349 -7.313 0.989 1.00 0.00 O ATOM 1332 CB ARG A 84 10.979 -5.744 3.611 1.00 0.00 C ATOM 1333 CG ARG A 84 11.663 -5.066 4.800 1.00 0.00 C ATOM 1334 CD ARG A 84 11.111 -5.595 6.125 1.00 0.00 C ATOM 1335 NE ARG A 84 11.855 -4.998 7.257 1.00 0.00 N ATOM 1336 CZ ARG A 84 13.125 -5.296 7.561 1.00 0.00 C ATOM 1337 NH1 ARG A 84 13.801 -6.185 6.820 1.00 0.00 N ATOM 1338 NH2 ARG A 84 13.720 -4.706 8.607 1.00 0.00 N ATOM 0 H ARG A 84 10.757 -3.543 2.434 1.00 0.00 H new ATOM 0 HA ARG A 84 12.766 -5.325 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.940 -5.421 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.969 -6.824 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.738 -5.241 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.513 -3.988 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.051 -5.355 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.195 -6.681 6.156 1.00 0.00 H new ATOM 0 HE ARG A 84 11.370 -4.317 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.348 -6.635 6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.768 -6.412 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.206 -4.030 9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.687 -4.933 8.838 1.00 0.00 H new ATOM 1352 N LEU A 85 10.219 -6.578 0.798 1.00 0.00 N ATOM 1353 CA LEU A 85 9.839 -7.591 -0.172 1.00 0.00 C ATOM 1354 C LEU A 85 10.898 -7.659 -1.274 1.00 0.00 C ATOM 1355 O LEU A 85 11.502 -8.707 -1.495 1.00 0.00 O ATOM 1356 CB LEU A 85 8.425 -7.329 -0.694 1.00 0.00 C ATOM 1357 CG LEU A 85 7.319 -7.272 0.362 1.00 0.00 C ATOM 1358 CD1 LEU A 85 6.140 -6.427 -0.123 1.00 0.00 C ATOM 1359 CD2 LEU A 85 6.884 -8.680 0.776 1.00 0.00 C ATOM 0 H LEU A 85 9.474 -5.929 1.051 1.00 0.00 H new ATOM 0 HA LEU A 85 9.804 -8.574 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.429 -6.384 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.174 -8.109 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 85 7.720 -6.784 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.368 -6.403 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.480 -5.412 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.730 -6.863 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.097 -8.612 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.508 -9.216 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.737 -9.217 1.192 1.00 0.00 H new ATOM 1371 N LEU A 86 11.091 -6.527 -1.936 1.00 0.00 N ATOM 1372 CA LEU A 86 12.067 -6.445 -3.009 1.00 0.00 C ATOM 1373 C LEU A 86 13.463 -6.719 -2.445 1.00 0.00 C ATOM 1374 O LEU A 86 14.159 -7.619 -2.912 1.00 0.00 O ATOM 1375 CB LEU A 86 11.951 -5.105 -3.738 1.00 0.00 C ATOM 1376 CG LEU A 86 10.652 -4.875 -4.514 1.00 0.00 C ATOM 1377 CD1 LEU A 86 9.961 -3.589 -4.056 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.906 -4.883 -6.023 1.00 0.00 C ATOM 0 H LEU A 86 10.588 -5.659 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 86 11.871 -7.209 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.060 -4.305 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.786 -5.018 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 86 9.974 -5.700 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.041 -3.449 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.726 -3.661 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.624 -2.740 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.967 -4.717 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.610 -4.091 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.322 -5.847 -6.317 1.00 0.00 H new ATOM 1390 N ASP A 87 13.830 -5.926 -1.449 1.00 0.00 N ATOM 1391 CA ASP A 87 15.130 -6.072 -0.817 1.00 0.00 C ATOM 1392 C ASP A 87 15.445 -7.559 -0.644 1.00 0.00 C ATOM 1393 O ASP A 87 16.447 -8.050 -1.162 1.00 0.00 O ATOM 1394 CB ASP A 87 15.145 -5.421 0.568 1.00 0.00 C ATOM 1395 CG ASP A 87 16.536 -5.224 1.175 1.00 0.00 C ATOM 1396 OD1 ASP A 87 17.040 -6.202 1.767 1.00 0.00 O ATOM 1397 OD2 ASP A 87 17.063 -4.100 1.032 1.00 0.00 O ATOM 0 H ASP A 87 13.250 -5.180 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 87 15.870 -5.586 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.653 -4.451 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.552 -6.033 1.247 1.00 0.00 H new ATOM 1402 N SER A 88 14.570 -8.235 0.086 1.00 0.00 N ATOM 1403 CA SER A 88 14.742 -9.657 0.334 1.00 0.00 C ATOM 1404 C SER A 88 15.246 -10.351 -0.933 1.00 0.00 C ATOM 1405 O SER A 88 14.825 -10.016 -2.039 1.00 0.00 O ATOM 1406 CB SER A 88 13.434 -10.296 0.804 1.00 0.00 C ATOM 1407 OG SER A 88 13.639 -11.193 1.892 1.00 0.00 O ATOM 0 H SER A 88 13.740 -7.825 0.514 1.00 0.00 H new ATOM 0 HA SER A 88 15.480 -9.780 1.127 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.736 -9.514 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.974 -10.832 -0.026 1.00 0.00 H new ATOM 0 HG SER A 88 12.780 -11.579 2.164 1.00 0.00 H new ATOM 1413 N PRO A 89 16.165 -11.332 -0.724 1.00 0.00 N ATOM 1414 CA PRO A 89 16.731 -12.076 -1.835 1.00 0.00 C ATOM 1415 C PRO A 89 15.725 -13.089 -2.386 1.00 0.00 C ATOM 1416 O PRO A 89 15.779 -14.270 -2.047 1.00 0.00 O ATOM 1417 CB PRO A 89 17.984 -12.729 -1.274 1.00 0.00 C ATOM 1418 CG PRO A 89 17.824 -12.708 0.237 1.00 0.00 C ATOM 1419 CD PRO A 89 16.687 -11.756 0.572 1.00 0.00 C ATOM 0 HA PRO A 89 16.976 -11.440 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 89 18.090 -13.750 -1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 89 18.878 -12.185 -1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.607 -13.708 0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.748 -12.382 0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 89 15.918 -12.251 1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 89 17.041 -10.905 1.154 1.00 0.00 H new ATOM 1427 N ARG A 90 14.831 -12.589 -3.226 1.00 0.00 N ATOM 1428 CA ARG A 90 13.814 -13.436 -3.828 1.00 0.00 C ATOM 1429 C ARG A 90 13.350 -12.843 -5.159 1.00 0.00 C ATOM 1430 O ARG A 90 12.693 -11.804 -5.185 1.00 0.00 O ATOM 1431 CB ARG A 90 12.609 -13.592 -2.899 1.00 0.00 C ATOM 1432 CG ARG A 90 12.181 -15.058 -2.797 1.00 0.00 C ATOM 1433 CD ARG A 90 10.839 -15.288 -3.494 1.00 0.00 C ATOM 1434 NE ARG A 90 10.696 -16.714 -3.860 1.00 0.00 N ATOM 1435 CZ ARG A 90 9.548 -17.275 -4.264 1.00 0.00 C ATOM 1436 NH1 ARG A 90 8.436 -16.533 -4.355 1.00 0.00 N ATOM 1437 NH2 ARG A 90 9.511 -18.578 -4.575 1.00 0.00 N ATOM 0 H ARG A 90 14.789 -11.609 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 90 14.257 -14.417 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.858 -13.212 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.778 -12.992 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.942 -15.695 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.104 -15.346 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.023 -14.989 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.773 -14.667 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 90 11.523 -17.308 -3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.464 -15.542 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.562 -16.960 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.357 -19.143 -4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.637 -19.004 -4.882 1.00 0.00 H new ATOM 1451 N THR A 91 13.710 -13.530 -6.234 1.00 0.00 N ATOM 1452 CA THR A 91 13.338 -13.085 -7.566 1.00 0.00 C ATOM 1453 C THR A 91 12.617 -14.203 -8.320 1.00 0.00 C ATOM 1454 O THR A 91 12.949 -15.377 -8.163 1.00 0.00 O ATOM 1455 CB THR A 91 14.604 -12.595 -8.271 1.00 0.00 C ATOM 1456 OG1 THR A 91 15.535 -13.659 -8.093 1.00 0.00 O ATOM 1457 CG2 THR A 91 15.253 -11.409 -7.554 1.00 0.00 C ATOM 0 H THR A 91 14.255 -14.392 -6.209 1.00 0.00 H new ATOM 0 HA THR A 91 12.631 -12.257 -7.523 1.00 0.00 H new ATOM 0 HB THR A 91 14.361 -12.311 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.385 -13.425 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.147 -11.101 -8.096 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.549 -10.578 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.526 -11.702 -6.540 1.00 0.00 H new ATOM 1465 N THR A 92 11.643 -13.800 -9.123 1.00 0.00 N ATOM 1466 CA THR A 92 10.872 -14.753 -9.903 1.00 0.00 C ATOM 1467 C THR A 92 10.997 -14.446 -11.396 1.00 0.00 C ATOM 1468 O THR A 92 11.079 -13.284 -11.790 1.00 0.00 O ATOM 1469 CB THR A 92 9.429 -14.722 -9.394 1.00 0.00 C ATOM 1470 OG1 THR A 92 8.755 -15.682 -10.204 1.00 0.00 O ATOM 1471 CG2 THR A 92 8.724 -13.403 -9.716 1.00 0.00 C ATOM 0 H THR A 92 11.370 -12.825 -9.250 1.00 0.00 H new ATOM 0 HA THR A 92 11.254 -15.766 -9.780 1.00 0.00 H new ATOM 0 HB THR A 92 9.420 -14.885 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.812 -15.728 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.704 -13.433 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.263 -12.579 -9.248 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.702 -13.256 -10.796 1.00 0.00 H new ATOM 1479 N LYS A 93 11.008 -15.509 -12.187 1.00 0.00 N ATOM 1480 CA LYS A 93 11.121 -15.368 -13.629 1.00 0.00 C ATOM 1481 C LYS A 93 10.541 -16.611 -14.306 1.00 0.00 C ATOM 1482 O LYS A 93 10.391 -17.655 -13.672 1.00 0.00 O ATOM 1483 CB LYS A 93 12.569 -15.072 -14.026 1.00 0.00 C ATOM 1484 CG LYS A 93 13.489 -16.236 -13.654 1.00 0.00 C ATOM 1485 CD LYS A 93 13.894 -17.033 -14.896 1.00 0.00 C ATOM 1486 CE LYS A 93 13.348 -18.461 -14.833 1.00 0.00 C ATOM 1487 NZ LYS A 93 14.425 -19.412 -14.479 1.00 0.00 N ATOM 0 H LYS A 93 10.941 -16.472 -11.857 1.00 0.00 H new ATOM 0 HA LYS A 93 10.538 -14.514 -13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.625 -14.888 -15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.908 -14.163 -13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.380 -15.855 -13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.983 -16.892 -12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.519 -16.535 -15.790 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.981 -17.059 -14.978 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.547 -18.518 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.915 -18.734 -15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.038 -20.376 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.176 -19.369 -15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.819 -19.160 -13.550 1.00 0.00 H new ATOM 1501 N GLY A 94 10.229 -16.458 -15.584 1.00 0.00 N ATOM 1502 CA GLY A 94 9.667 -17.555 -16.354 1.00 0.00 C ATOM 1503 C GLY A 94 10.625 -17.993 -17.464 1.00 0.00 C ATOM 1504 O GLY A 94 11.279 -19.028 -17.352 1.00 0.00 O ATOM 0 H GLY A 94 10.355 -15.591 -16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.459 -18.398 -15.695 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.716 -17.249 -16.789 1.00 0.00 H new ATOM 1508 N GLU A 95 10.678 -17.181 -18.510 1.00 0.00 N ATOM 1509 CA GLU A 95 11.545 -17.472 -19.640 1.00 0.00 C ATOM 1510 C GLU A 95 13.012 -17.432 -19.206 1.00 0.00 C ATOM 1511 O GLU A 95 13.416 -16.549 -18.452 1.00 0.00 O ATOM 1512 CB GLU A 95 11.287 -16.500 -20.793 1.00 0.00 C ATOM 1513 CG GLU A 95 11.739 -17.099 -22.126 1.00 0.00 C ATOM 1514 CD GLU A 95 10.543 -17.623 -22.924 1.00 0.00 C ATOM 1515 OE1 GLU A 95 9.665 -16.792 -23.243 1.00 0.00 O ATOM 1516 OE2 GLU A 95 10.534 -18.843 -23.198 1.00 0.00 O ATOM 0 H GLU A 95 10.135 -16.322 -18.599 1.00 0.00 H new ATOM 0 HA GLU A 95 11.319 -18.476 -19.998 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.225 -16.259 -20.840 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.818 -15.566 -20.611 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.267 -16.344 -22.708 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.443 -17.911 -21.944 1.00 0.00 H new ATOM 1523 N ARG A 96 13.769 -18.400 -19.702 1.00 0.00 N ATOM 1524 CA ARG A 96 15.182 -18.486 -19.376 1.00 0.00 C ATOM 1525 C ARG A 96 15.935 -17.286 -19.953 1.00 0.00 C ATOM 1526 O ARG A 96 15.681 -16.874 -21.084 1.00 0.00 O ATOM 1527 CB ARG A 96 15.796 -19.776 -19.925 1.00 0.00 C ATOM 1528 CG ARG A 96 17.107 -20.107 -19.209 1.00 0.00 C ATOM 1529 CD ARG A 96 16.983 -21.407 -18.411 1.00 0.00 C ATOM 1530 NE ARG A 96 17.524 -21.216 -17.046 1.00 0.00 N ATOM 1531 CZ ARG A 96 18.831 -21.178 -16.755 1.00 0.00 C ATOM 1532 NH1 ARG A 96 19.739 -21.315 -17.730 1.00 0.00 N ATOM 1533 NH2 ARG A 96 19.230 -21.001 -15.488 1.00 0.00 N ATOM 0 H ARG A 96 13.430 -19.131 -20.327 1.00 0.00 H new ATOM 0 HA ARG A 96 15.272 -18.487 -18.290 1.00 0.00 H new ATOM 0 HB2 ARG A 96 15.092 -20.599 -19.802 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.978 -19.670 -20.994 1.00 0.00 H new ATOM 0 HG2 ARG A 96 17.911 -20.200 -19.939 1.00 0.00 H new ATOM 0 HG3 ARG A 96 17.377 -19.290 -18.540 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.938 -21.712 -18.358 1.00 0.00 H new ATOM 0 HD3 ARG A 96 17.524 -22.207 -18.917 1.00 0.00 H new ATOM 0 HE ARG A 96 16.860 -21.107 -16.279 1.00 0.00 H new ATOM 0 HH11 ARG A 96 19.435 -21.448 -18.695 1.00 0.00 H new ATOM 0 HH12 ARG A 96 20.734 -21.286 -17.508 1.00 0.00 H new ATOM 0 HH21 ARG A 96 18.539 -20.895 -14.746 1.00 0.00 H new ATOM 0 HH22 ARG A 96 20.225 -20.972 -15.266 1.00 0.00 H new ATOM 1547 N GLU A 97 16.845 -16.757 -19.149 1.00 0.00 N ATOM 1548 CA GLU A 97 17.637 -15.611 -19.565 1.00 0.00 C ATOM 1549 C GLU A 97 19.089 -15.776 -19.112 1.00 0.00 C ATOM 1550 O GLU A 97 19.481 -15.249 -18.072 1.00 0.00 O ATOM 1551 CB GLU A 97 17.039 -14.309 -19.030 1.00 0.00 C ATOM 1552 CG GLU A 97 17.536 -13.106 -19.835 1.00 0.00 C ATOM 1553 CD GLU A 97 17.582 -11.847 -18.967 1.00 0.00 C ATOM 1554 OE1 GLU A 97 16.519 -11.503 -18.408 1.00 0.00 O ATOM 1555 OE2 GLU A 97 18.681 -11.256 -18.883 1.00 0.00 O ATOM 0 H GLU A 97 17.052 -17.101 -18.211 1.00 0.00 H new ATOM 0 HA GLU A 97 17.621 -15.559 -20.654 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.951 -14.358 -19.077 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.308 -14.185 -17.981 1.00 0.00 H new ATOM 0 HG2 GLU A 97 18.529 -13.315 -20.232 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.880 -12.939 -20.689 1.00 0.00 H new ATOM 1562 N SER A 98 19.846 -16.510 -19.914 1.00 0.00 N ATOM 1563 CA SER A 98 21.246 -16.750 -19.608 1.00 0.00 C ATOM 1564 C SER A 98 22.035 -15.443 -19.705 1.00 0.00 C ATOM 1565 O SER A 98 21.508 -14.428 -20.158 1.00 0.00 O ATOM 1566 CB SER A 98 21.842 -17.801 -20.546 1.00 0.00 C ATOM 1567 OG SER A 98 22.327 -18.938 -19.836 1.00 0.00 O ATOM 0 H SER A 98 19.517 -16.946 -20.775 1.00 0.00 H new ATOM 0 HA SER A 98 21.313 -17.132 -18.589 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.085 -18.118 -21.263 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.656 -17.356 -21.118 1.00 0.00 H new ATOM 0 HG SER A 98 22.698 -19.586 -20.471 1.00 0.00 H new ATOM 1573 N GLY A 99 23.286 -15.511 -19.273 1.00 0.00 N ATOM 1574 CA GLY A 99 24.153 -14.345 -19.306 1.00 0.00 C ATOM 1575 C GLY A 99 25.619 -14.748 -19.138 1.00 0.00 C ATOM 1576 O GLY A 99 25.917 -15.804 -18.582 1.00 0.00 O ATOM 0 H GLY A 99 23.720 -16.355 -18.898 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.023 -13.817 -20.251 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.869 -13.653 -18.513 1.00 0.00 H new ATOM 1580 N PRO A 100 26.520 -13.862 -19.642 1.00 0.00 N ATOM 1581 CA PRO A 100 27.948 -14.114 -19.553 1.00 0.00 C ATOM 1582 C PRO A 100 28.459 -13.878 -18.131 1.00 0.00 C ATOM 1583 O PRO A 100 27.920 -13.044 -17.404 1.00 0.00 O ATOM 1584 CB PRO A 100 28.577 -13.179 -20.573 1.00 0.00 C ATOM 1585 CG PRO A 100 27.532 -12.114 -20.862 1.00 0.00 C ATOM 1586 CD PRO A 100 26.203 -12.601 -20.307 1.00 0.00 C ATOM 0 HA PRO A 100 28.206 -15.150 -19.770 1.00 0.00 H new ATOM 0 HB2 PRO A 100 29.492 -12.733 -20.182 1.00 0.00 H new ATOM 0 HB3 PRO A 100 28.848 -13.717 -21.481 1.00 0.00 H new ATOM 0 HG2 PRO A 100 27.814 -11.167 -20.401 1.00 0.00 H new ATOM 0 HG3 PRO A 100 27.455 -11.936 -21.935 1.00 0.00 H new ATOM 0 HD2 PRO A 100 25.778 -11.881 -19.608 1.00 0.00 H new ATOM 0 HD3 PRO A 100 25.471 -12.745 -21.101 1.00 0.00 H new ATOM 1594 N SER A 101 29.493 -14.626 -17.776 1.00 0.00 N ATOM 1595 CA SER A 101 30.083 -14.509 -16.453 1.00 0.00 C ATOM 1596 C SER A 101 31.517 -15.043 -16.470 1.00 0.00 C ATOM 1597 O SER A 101 31.758 -16.169 -16.901 1.00 0.00 O ATOM 1598 CB SER A 101 29.251 -15.257 -15.410 1.00 0.00 C ATOM 1599 OG SER A 101 28.911 -14.427 -14.303 1.00 0.00 O ATOM 0 H SER A 101 29.938 -15.316 -18.382 1.00 0.00 H new ATOM 0 HA SER A 101 30.098 -13.454 -16.178 1.00 0.00 H new ATOM 0 HB2 SER A 101 28.339 -15.633 -15.875 1.00 0.00 H new ATOM 0 HB3 SER A 101 29.809 -16.124 -15.055 1.00 0.00 H new ATOM 0 HG SER A 101 28.379 -14.941 -13.660 1.00 0.00 H new ATOM 1605 N SER A 102 32.431 -14.208 -15.997 1.00 0.00 N ATOM 1606 CA SER A 102 33.834 -14.582 -15.952 1.00 0.00 C ATOM 1607 C SER A 102 34.286 -14.746 -14.500 1.00 0.00 C ATOM 1608 O SER A 102 35.484 -14.770 -14.218 1.00 0.00 O ATOM 1609 CB SER A 102 34.704 -13.545 -16.665 1.00 0.00 C ATOM 1610 OG SER A 102 34.097 -12.256 -16.675 1.00 0.00 O ATOM 0 H SER A 102 32.227 -13.274 -15.642 1.00 0.00 H new ATOM 0 HA SER A 102 33.951 -15.533 -16.472 1.00 0.00 H new ATOM 0 HB2 SER A 102 35.674 -13.485 -16.172 1.00 0.00 H new ATOM 0 HB3 SER A 102 34.887 -13.868 -17.690 1.00 0.00 H new ATOM 0 HG SER A 102 34.684 -11.622 -17.137 1.00 0.00 H new ATOM 1616 N GLY A 103 33.305 -14.855 -13.617 1.00 0.00 N ATOM 1617 CA GLY A 103 33.587 -15.016 -12.200 1.00 0.00 C ATOM 1618 C GLY A 103 34.739 -14.108 -11.765 1.00 0.00 C ATOM 1619 O GLY A 103 35.598 -14.520 -10.986 1.00 0.00 O ATOM 0 H GLY A 103 32.313 -14.835 -13.855 1.00 0.00 H new ATOM 0 HA2 GLY A 103 32.695 -14.782 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 103 33.840 -16.056 -11.991 1.00 0.00 H new TER 1623 GLY A 103